diff --git a/docs/odk-workflows/RepositoryFileStructure.md b/docs/odk-workflows/RepositoryFileStructure.md index 2782394..c7e741d 100644 --- a/docs/odk-workflows/RepositoryFileStructure.md +++ b/docs/odk-workflows/RepositoryFileStructure.md @@ -21,7 +21,7 @@ These are the current imports in NMRCV | omo | http://purl.obolibrary.org/obo/omo.owl | mirror | | iao | http://purl.obolibrary.org/obo/iao.owl | None | | obi | http://purl.obolibrary.org/obo/obi.owl | custom | -| chebi | http://purl.obolibrary.org/obo/chebi.owl | None | +| chebi | http://purl.obolibrary.org/obo/chebi.owl | custom | ## Components Components, in contrast to imports, are considered full members of the ontology. This means that any axiom in a component is also included in the ontology base - which means it is considered _native_ to the ontology. While this sounds complicated, consider this: conceptually, no component should be part of more than one ontology. If that seems to be the case, we are most likely talking about an import. Components are often not needed for ontologies, but there are some use cases: diff --git a/src/ontology/Makefile b/src/ontology/Makefile index c9d2bd1..9032009 100644 --- a/src/ontology/Makefile +++ b/src/ontology/Makefile @@ -10,7 +10,7 @@ # More information: https://github.com/INCATools/ontology-development-kit/ # Fingerprint of the configuration file when this Makefile was last generated -CONFIG_HASH= 1ba644404ead28f12b159a84d638daf10791c394ce2f9060998152d134df9dcc +CONFIG_HASH= fd98f62cea8e98a347fcdcf420367f85a1508e39fd0bcd97b7b3b1b954831e0b # ---------------------------------------- @@ -382,11 +382,8 @@ $(IMPORTDIR)/obi_import.owl: $(MIRRORDIR)/obi.owl echo "ERROR: You have configured your default module type to be custom; this behavior needs to be overwritten in nmrCV.Makefile!" && false ## Module for ontology: chebi -$(IMPORTDIR)/chebi_import.owl: $(MIRRORDIR)/chebi.owl $(IMPORTDIR)/chebi_terms_combined.txt - if [ $(IMP) = true ] && [ $(IMP_LARGE) = true ]; then $(ROBOT) extract -i $< -T $(IMPORTDIR)/chebi_terms_combined.txt --force true --copy-ontology-annotations true --individuals include --method BOT \ - query --update ../sparql/inject-subset-declaration.ru --update ../sparql/inject-synonymtype-declaration.ru --update ../sparql/postprocess-module.ru \ - $(ANNOTATE_CONVERT_FILE); fi - +$(IMPORTDIR)/chebi_import.owl: $(MIRRORDIR)/chebi.owl + echo "ERROR: You have configured your default module type to be custom; this behavior needs to be overwritten in nmrCV.Makefile!" && false .PHONY: refresh-imports refresh-imports: diff --git a/src/ontology/imports/chebi_import.owl b/src/ontology/imports/chebi_import.owl index c56214e..7d88964 100644 --- a/src/ontology/imports/chebi_import.owl +++ b/src/ontology/imports/chebi_import.owl @@ -7,61 +7,19 @@ Prefix(rdfs:=) Ontology( - -Annotation(owl:versionInfo "2024-08-16") - -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) + +Annotation(owl:versionInfo "2025-01-28") + Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) Declaration(Class()) -Declaration(Class()) Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) @@ -82,547 +40,69 @@ Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) -Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) Declaration(Class()) Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) Declaration(Class()) -Declaration(Class()) -Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) Declaration(Class()) -Declaration(Class()) Declaration(Class()) -Declaration(Class()) Declaration(Class()) Declaration(Class()) -Declaration(Class()) -Declaration(Class()) Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) 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-Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) Declaration(Class()) Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) Declaration(Class()) -Declaration(Class()) -Declaration(Class()) Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) Declaration(Class()) -Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) @@ -639,7 +119,6 @@ Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) -Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) @@ -651,106 +130,29 @@ Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) Declaration(Class()) -Declaration(Class()) -Declaration(Class()) Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) +Declaration(Class()) Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) -Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) -Declaration(Class()) Declaration(Class()) -Declaration(Class()) -Declaration(Class()) Declaration(Class()) Declaration(ObjectProperty()) Declaration(ObjectProperty()) -Declaration(ObjectProperty()) -Declaration(ObjectProperty()) -Declaration(ObjectProperty()) -Declaration(ObjectProperty()) -Declaration(ObjectProperty()) -Declaration(ObjectProperty()) Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) -Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) @@ -795,10 +197,6 @@ SubAnnotationPropertyOf( ) -# Annotation Property: () - -SubAnnotationPropertyOf( ) - # Annotation Property: () SubAnnotationPropertyOf( ) @@ -848,225 +246,12 @@ AnnotationAssertion( AnnotationAssertion( "has_role") AnnotationAssertion(rdfs:label "has role") -# Object Property: (has functional parent) - -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion( "has_functional_parent") -AnnotationAssertion( "false"^^xsd:boolean) -AnnotationAssertion( "false"^^xsd:boolean) -AnnotationAssertion(rdfs:label "has functional parent") - -# Object Property: (has parent hydride) - -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion( "has_parent_hydride") -AnnotationAssertion( "false"^^xsd:boolean) -AnnotationAssertion( "false"^^xsd:boolean) -AnnotationAssertion(rdfs:label "has parent hydride") - -# Object Property: (is conjugate acid of) - -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion( "is_conjugate_acid_of") -AnnotationAssertion( "true"^^xsd:boolean) -AnnotationAssertion( "false"^^xsd:boolean) -AnnotationAssertion(rdfs:label "is conjugate acid of") -InverseObjectProperties( ) - -# Object Property: (is conjugate base of) - -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion( "is_conjugate_base_of") -AnnotationAssertion( "true"^^xsd:boolean) -AnnotationAssertion( "false"^^xsd:boolean) -AnnotationAssertion(rdfs:label "is conjugate base of") - -# Object Property: (is substituent group from) - -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion( "is_substituent_group_from") -AnnotationAssertion( "false"^^xsd:boolean) -AnnotationAssertion( "false"^^xsd:boolean) -AnnotationAssertion(rdfs:label "is substituent group from") - -# Object Property: (is tautomer of) - -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion( "is_tautomer_of") -AnnotationAssertion( "true"^^xsd:boolean) -AnnotationAssertion(rdfs:label "is tautomer of") -TransitiveObjectProperty() - ############################ # Classes ############################ -# Class: (electron) - -AnnotationAssertion( "Elementary particle not affected by the strong force having a spin 1/2, a negative elementary charge and a rest mass of 0.000548579903(13) u, or 0.51099906(15) MeV.") -AnnotationAssertion( "-1") -AnnotationAssertion( "0.000548579903") -AnnotationAssertion( "0.0") -AnnotationAssertion( "KEGG:C05359") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:21614077") -AnnotationAssertion( "Wikipedia:Electron") -AnnotationAssertion(Annotation( "ChEBI") "electron") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "electron") -AnnotationAssertion(Annotation( "KEGG_COMPOUND") "electron") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "Elektron") -AnnotationAssertion(Annotation( "IUPAC") "beta") -AnnotationAssertion(Annotation( "ChEBI") "beta(-)") -AnnotationAssertion(Annotation( "IUPAC") "beta-particle") -AnnotationAssertion(Annotation( "IUPAC") "e") -AnnotationAssertion(Annotation( "UniProt") "e(-)") -AnnotationAssertion(Annotation( "KEGG_COMPOUND") "e-") -AnnotationAssertion(Annotation( "IUPAC") "negatron") -AnnotationAssertion( "CHEBI:10545") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "electron") -SubClassOf( ) - -# Class: (primary nitroalkane) - -AnnotationAssertion( "A nitroalkane in which the nitro group is attached to a terminal carbon. Major microspecies at pH 7.3.") -AnnotationAssertion( "0") -AnnotationAssertion( "CH2NO2R") -AnnotationAssertion( "60.032") -AnnotationAssertion( "60.00855") -AnnotationAssertion( "C([N+]([O-])=O)*") -AnnotationAssertion(Annotation( "SUBMITTER") "MetaCyc:Nitroalkanes") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:1710166") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:26506056") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:7762004") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "UniProt") "a primary nitroalkane") -AnnotationAssertion( "CHEBI:133972") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "primary nitroalkane") -SubClassOf( ) - -# Class: (chlorofluorocarbon) - -AnnotationAssertion( "An organochlorine compound derived from methane, ethane or propane that contains atoms of carbon, chlorine, and fluorine only. They are nontoxic, nonflammable chemicals used in aerosol sprays and as refrigerants. Being ozone depletion agents, their manufacture and use is being phased out under the Montreal Protocol.") -AnnotationAssertion( "Wikipedia:Chlorofluorocarbon") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "CFC") -AnnotationAssertion(Annotation( "ChEBI") "CFCs") -AnnotationAssertion(Annotation( "ChEBI") "chlorofluorocarbons") -AnnotationAssertion( "CHEBI:134024") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "chlorofluorocarbon") -SubClassOf( ) -SubClassOf( ) -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (perfluorinated compound) - -AnnotationAssertion( "An organofluorine compound containing only C-F bonds (no C-H bonds) and C-C bonds but also other heteroatoms (particularly other halogens, oxygen, and sulfur). Their properties represent a blend of fluorocarbons (containing only C-F and C-C bonds) and the parent functionalised organic species.") -AnnotationAssertion( "Wikipedia:Perfluorinated_compound") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "PFC") -AnnotationAssertion(Annotation( "ChEBI") "PFCs") -AnnotationAssertion(Annotation( "ChEBI") "perfluorinated compounds") -AnnotationAssertion( "CHEBI:134091") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "perfluorinated compound") -SubClassOf( ) - -# Class: (volatile organic compound) - -AnnotationAssertion( "Any organic compound having an initial boiling point less than or equal to 250 degreeC (482 degreeF) measured at a standard atmospheric pressure of 101.3 kPa.") -AnnotationAssertion( "Wikipedia:Volatile_organic_compound") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "VOC") -AnnotationAssertion(Annotation( "ChEBI") "VOCs") -AnnotationAssertion(Annotation( "ChEBI") "volatile organic compounds") -AnnotationAssertion( "CHEBI:134179") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "volatile organic compound") -SubClassOf( ) - -# Class: (aci-nitro compound) - -AnnotationAssertion( "Organonitrogen compounds that have the general structure R(1)(R(2))C=N(O)OH (R(1),R(2) = H, organyl). They are tautomers of C-nitro compounds.") -AnnotationAssertion( "0") -AnnotationAssertion( "CHNO2R2") -AnnotationAssertion( "59.024") -AnnotationAssertion( "59.00073") -AnnotationAssertion( "C(*)(=[N+](O)[O-])*") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "aci-nitro compounds") -AnnotationAssertion(Annotation( "ChEBI") "oxime N-oxide") -AnnotationAssertion(Annotation( "ChEBI") "oxime N-oxides") -AnnotationAssertion( "CHEBI:136622") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "aci-nitro compound") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (secondary ammonium ion) - -AnnotationAssertion( "An organic cation obtained by protonation of any secondary amino compound; major species at pH 7.3.") -AnnotationAssertion( "+1") -AnnotationAssertion( "H2NR2") -AnnotationAssertion( "16.023") -AnnotationAssertion( "16.01872") -AnnotationAssertion( "*[NH+](*)[H]") -AnnotationAssertion( "MetaCyc:Secondary-Amines") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "UniProt") "a secondary amine") -AnnotationAssertion(Annotation( "ChEBI") "secondary amine(1+)") -AnnotationAssertion( "CHEBI:137419") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "secondary ammonium ion") -SubClassOf( ) -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (metalloid atom) - -AnnotationAssertion( "An atom of an element that exhibits properties that are between those of metals and nonmetals, or that has a mixture of them. The term generally includes boron, silicon, germanium, arsenic, antimony, and tellurium, while carbon, aluminium, selenium, polonium, and astatine are less commonly included.") -AnnotationAssertion( "Wikipedia:Metalloid") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "metalloid") -AnnotationAssertion(Annotation( "ChEBI") "metalloids") -AnnotationAssertion( "CHEBI:137980") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "metalloid atom") -SubClassOf( ) - -# Class: (inorganic acid) - -AnnotationAssertion( "A Bronsted acid derived from one or more inorganic compounds. Inorganic acids (also known as mineral acids) form hydrons and conjugate base ions when dissolved in water.") -AnnotationAssertion( "Wikipedia:Mineral_acid") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "inorganic acids") -AnnotationAssertion(Annotation( "ChEBI") "mineral acid") -AnnotationAssertion(Annotation( "ChEBI") "mineral acids") -AnnotationAssertion( "CHEBI:138103") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "inorganic acid") -SubClassOf( ) - -# Class: (gas molecular entity) - -AnnotationAssertion( "Any main group molecular entity that is gaseous at standard temperature and pressure (STP; 0degreeC and 100 kPa).") -AnnotationAssertion( "Wikipedia:https://en.wikipedia.org/wiki/Gas") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "gas molecular entities") -AnnotationAssertion(Annotation( "ChEBI") "gaseous molecular entities") -AnnotationAssertion(Annotation( "ChEBI") "gaseous molecular entity") -AnnotationAssertion( "CHEBI:138675") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "gas molecular entity") -SubClassOf( ) - # Class: (isotopically modified compound) AnnotationAssertion( "Any molecular entity in which the isotopic ratio of nuclides for at least one element deviates measurably from that occurring in nature. The term includes both isotopically substituted compounds (in which essentially all the molecules of the compound have only the indicated nuclide(s) at each designated position) and isotopically labeled compounds (a formal mixture of an isotopically unmodified compound with one or more analogous isotopically substituted compound(s).") @@ -1077,232 +262,6 @@ AnnotationAssertion( "isotopically modified compound") SubClassOf( ) -# Class: (carbamate) - -AnnotationAssertion( "-1") -AnnotationAssertion( "CH2NO2") -AnnotationAssertion( "InChI=1S/CH3NO2/c2-1(3)4/h2H2,(H,3,4)/p-1") -AnnotationAssertion( "KXDHJXZQYSOELW-UHFFFAOYSA-M") -AnnotationAssertion( "60.03212") -AnnotationAssertion( "60.00910") -AnnotationAssertion( "NC([O-])=O") -AnnotationAssertion(Annotation( "Beilstein") "Beilstein:3903503") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:302-11-4") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:239604") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "carbamate") -AnnotationAssertion(Annotation( "UniProt") "carbamate") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "Carbamat") -AnnotationAssertion(Annotation( "ChEBI") "Karbamat") -AnnotationAssertion(Annotation( "ChemIDplus") "carbamate ion") -AnnotationAssertion(Annotation( "ChemIDplus") "carbamic acid, ion(1-)") -AnnotationAssertion( "CHEBI:13941") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "carbamate") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (oxime anion) - -AnnotationAssertion( "A organic ion resulting from the deprotonation of the hydroxy group of any oxime.") -AnnotationAssertion( "-1") -AnnotationAssertion( "CNO") -AnnotationAssertion( "42.017") -AnnotationAssertion( "41.99799") -AnnotationAssertion( "C(*)(=N[O-])*") -AnnotationAssertion(Annotation( "ChEBI") "oxime anion") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "oximate") -AnnotationAssertion(Annotation( "ChEBI") "oximates") -AnnotationAssertion(Annotation( "ChEBI") "oxime anions") -AnnotationAssertion( "CHEBI:142513") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "oxime anion") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (acceptor) - -AnnotationAssertion( "A molecular entity that can accept an electron, a pair of electrons, an atom or a group from another molecular entity.") -AnnotationAssertion( "CHEBI:13699") -AnnotationAssertion( "CHEBI:2377") -AnnotationAssertion( "KEGG:C00028") -AnnotationAssertion( "KEGG:C16722") -AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Acceptor") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "KEGG_COMPOUND") "A") -AnnotationAssertion(Annotation( "ChEBI") "Akzeptor") -AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Hydrogen-acceptor") -AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Oxidized donor") -AnnotationAssertion(Annotation( "ChEBI") "accepteur") -AnnotationAssertion( "CHEBI:15339") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "acceptor") -SubClassOf( ) - -# Class: (acetic acid) - -AnnotationAssertion( "A simple monocarboxylic acid containing two carbons.") -AnnotationAssertion( "0") -AnnotationAssertion( "C2H4O2") -AnnotationAssertion( "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)") -AnnotationAssertion( "QTBSBXVTEAMEQO-UHFFFAOYSA-N") -AnnotationAssertion( "60.05200") -AnnotationAssertion( "60.02113") -AnnotationAssertion( "CC(O)=O") -AnnotationAssertion( "CHEBI:22169") -AnnotationAssertion( "CHEBI:2387") -AnnotationAssertion( "CHEBI:40486") -AnnotationAssertion(Annotation( "Beilstein") "Beilstein:506007") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:64-19-7") -AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:64-19-7") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:64-19-7") -AnnotationAssertion(Annotation( "DrugCentral") "Drug_Central:4211") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:1380") -AnnotationAssertion( "HMDB:HMDB0000042") -AnnotationAssertion( "KEGG:C00033") -AnnotationAssertion( "KEGG:D00010") -AnnotationAssertion( "KNApSAcK:C00001176") -AnnotationAssertion(Annotation( "LIPID MAPS") "LIPID_MAPS_instance:LMFA01010002") -AnnotationAssertion( "MetaCyc:ACET") -AnnotationAssertion( "PDBeChem:ACT") -AnnotationAssertion( "PDBeChem:ACY") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:12005138") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:15107950") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:16630552") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:16774200") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:17190852") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:19416101") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:19469536") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:22153255") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:22173419") -AnnotationAssertion( "PPDB:1333") -AnnotationAssertion(Annotation( "Reaxys") "Reaxys:506007") -AnnotationAssertion( "Wikipedia:Acetic_acid") -AnnotationAssertion(Annotation( "PDBeChem") "ACETIC ACID") -AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Acetic acid") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "acetic acid") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "AcOH") -AnnotationAssertion(Annotation( "IUPAC") "CH3-COOH") -AnnotationAssertion(Annotation( "ChEBI") "CH3CO2H") -AnnotationAssertion(Annotation( "ChEBI") "E 260") -AnnotationAssertion(Annotation( "ChEBI") "E-260") -AnnotationAssertion(Annotation( "ChEBI") "E260") -AnnotationAssertion(Annotation( "ChEBI") "Essigsaeure") -AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Ethanoic acid") -AnnotationAssertion(Annotation( "ChemIDplus") "Ethylic acid") -AnnotationAssertion(Annotation( "ChEBI") "HOAc") -AnnotationAssertion(Annotation( "ChEBI") "INS No. 260") -AnnotationAssertion(Annotation( "ChEBI") "MeCO2H") -AnnotationAssertion(Annotation( "ChEBI") "MeCOOH") -AnnotationAssertion(Annotation( "ChemIDplus") "Methanecarboxylic acid") -AnnotationAssertion(Annotation( "ChemIDplus") "acide acetique") -AnnotationAssertion(Annotation( "ChEBI") "ethoic acid") -AnnotationAssertion( "CHEBI:15366") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "acetic acid") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (water) - -AnnotationAssertion( "An oxygen hydride consisting of an oxygen atom that is covalently bonded to two hydrogen atoms") -AnnotationAssertion( "0") -AnnotationAssertion( "H2O") -AnnotationAssertion( "InChI=1S/H2O/h1H2") -AnnotationAssertion( "XLYOFNOQVPJJNP-UHFFFAOYSA-N") -AnnotationAssertion( "18.01530") -AnnotationAssertion( "18.01056") -AnnotationAssertion( "[H]O[H]") -AnnotationAssertion( "CHEBI:10743") -AnnotationAssertion( "CHEBI:13352") -AnnotationAssertion( "CHEBI:27313") -AnnotationAssertion( "CHEBI:42043") -AnnotationAssertion( "CHEBI:42857") -AnnotationAssertion( "CHEBI:43228") -AnnotationAssertion( "CHEBI:44292") -AnnotationAssertion( "CHEBI:44701") -AnnotationAssertion( "CHEBI:44819") -AnnotationAssertion( "CHEBI:5585") -AnnotationAssertion(Annotation( "Beilstein") "Beilstein:3587155") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:7732-18-5") -AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:7732-18-5") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:7732-18-5") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:117") -AnnotationAssertion( "HMDB:HMDB0002111") -AnnotationAssertion( "KEGG:C00001") -AnnotationAssertion( "KEGG:D00001") -AnnotationAssertion( "MetaCyc:WATER") -AnnotationAssertion( "MolBase:1") -AnnotationAssertion( "PDBeChem:HOH") -AnnotationAssertion(Annotation( "Reaxys") "Reaxys:3587155") -AnnotationAssertion( "Wikipedia:Water") -AnnotationAssertion(Annotation( "PDBeChem") "WATER") -AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Water") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "oxidane") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "water") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "PDBeChem") "BOUND WATER") -AnnotationAssertion(Annotation( "KEGG_COMPOUND") "H2O") -AnnotationAssertion(Annotation( "UniProt") "H2O") -AnnotationAssertion(Annotation( "ChEBI") "HOH") -AnnotationAssertion(Annotation( "ChEBI") "Wasser") -AnnotationAssertion(Annotation( "IUPAC") "[OH2]") -AnnotationAssertion(Annotation( "ChEBI") "acqua") -AnnotationAssertion(Annotation( "ChEBI") "agua") -AnnotationAssertion(Annotation( "ChEBI") "aqua") -AnnotationAssertion(Annotation( "IUPAC") "dihydridooxygen") -AnnotationAssertion(Annotation( "IUPAC") "dihydrogen oxide") -AnnotationAssertion(Annotation( "ChEBI") "eau") -AnnotationAssertion(Annotation( "ChEBI") "hydrogen hydroxide") -AnnotationAssertion( "CHEBI:15377") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "water") -SubClassOf( ) -SubClassOf( ) -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (hydron) - -AnnotationAssertion( "The general name for the hydrogen nucleus, to be used without regard to the hydrogen nuclear mass (either for hydrogen in its natural abundance or where it is not desired to distinguish between the isotopes).") -AnnotationAssertion( "+1") -AnnotationAssertion( "H") -AnnotationAssertion( "InChI=1S/p+1") -AnnotationAssertion( "GPRLSGONYQIRFK-UHFFFAOYSA-N") -AnnotationAssertion( "1.00794") -AnnotationAssertion( "1.008") -AnnotationAssertion( "[H+]") -AnnotationAssertion( "CHEBI:10744") -AnnotationAssertion( "CHEBI:13357") -AnnotationAssertion( "CHEBI:5584") -AnnotationAssertion( "KEGG:C00080") -AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Hydron") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "hydrogen(1+)") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "hydron") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "UniProt") "H(+)") -AnnotationAssertion(Annotation( "KEGG_COMPOUND") "H+") -AnnotationAssertion( "CHEBI:15378") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "hydron") -SubClassOf( ) -SubClassOf( ) -SubClassOf( ) -SubClassOf( ) - # Class: (methanol-d4) AnnotationAssertion( "A deuterated compound that is methanol in which all four hydrogen atoms are replaced by deuterium. It is commonly used as a solvent in NMR spectroscopy.") @@ -1335,93 +294,6 @@ AnnotationAssertion( "methanol-d4") SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (primary alcohol) - -AnnotationAssertion( "A primary alcohol is a compound in which a hydroxy group, -OH, is attached to a saturated carbon atom which has either three hydrogen atoms attached to it or only one other carbon atom and two hydrogen atoms attached to it.") -AnnotationAssertion( "0") -AnnotationAssertion( "CH3OR") -AnnotationAssertion( "31.034") -AnnotationAssertion( "31.01839") -AnnotationAssertion( "*C(O)([H])[H]") -AnnotationAssertion( "CHEBI:13676") -AnnotationAssertion( "CHEBI:14887") -AnnotationAssertion( "CHEBI:26262") -AnnotationAssertion( "CHEBI:57489") -AnnotationAssertion( "CHEBI:8406") -AnnotationAssertion( "KEGG:C00226") -AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Primary alcohol") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "KEGG_COMPOUND") "1-Alcohol") -AnnotationAssertion(Annotation( "UniProt") "a primary alcohol") -AnnotationAssertion(Annotation( "ChEBI") "primary alcohols") -AnnotationAssertion( "CHEBI:15734") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "primary alcohol") -SubClassOf( ) - -# Class: (bromide) - -AnnotationAssertion( "-1") -AnnotationAssertion( "Br") -AnnotationAssertion( "InChI=1S/BrH/h1H/p-1") -AnnotationAssertion( "CPELXLSAUQHCOX-UHFFFAOYSA-M") -AnnotationAssertion( "79.90400") -AnnotationAssertion( "78.91889") -AnnotationAssertion( "[Br-]") -AnnotationAssertion( "CHEBI:13918") -AnnotationAssertion( "CHEBI:3178") -AnnotationAssertion( "CHEBI:49515") -AnnotationAssertion(Annotation( "Beilstein") "Beilstein:3587179") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:24959-67-9") -AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:24959-67-9") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:24959-67-9") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:14908") -AnnotationAssertion( "KEGG:C00720") -AnnotationAssertion( "KEGG:C01324") -AnnotationAssertion( "PDBeChem:BR") -AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Bromide") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "bromide") -AnnotationAssertion(Annotation( "UniProt") "bromide") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "bromide(1-)") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "PDBeChem") "BROMIDE ION") -AnnotationAssertion(Annotation( "IUPAC") "Br(-)") -AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Br-") -AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "bromine anion") -AnnotationAssertion( "CHEBI:15858") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "bromide") -SubClassOf( ) -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (halide anion) - -AnnotationAssertion( "A monoatomic monoanion resulting from the addition of an electron to any halogen atom.") -AnnotationAssertion( "-1") -AnnotationAssertion( "X") -AnnotationAssertion( "0.0") -AnnotationAssertion( "0.0") -AnnotationAssertion( "[*-]") -AnnotationAssertion( "CHEBI:14384") -AnnotationAssertion( "CHEBI:5605") -AnnotationAssertion( "KEGG:C00462") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "halide ions") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "KEGG_COMPOUND") "HX") -AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Halide") -AnnotationAssertion(Annotation( "UniProt") "a halide anion") -AnnotationAssertion(Annotation( "ChEBI") "halide anions") -AnnotationAssertion(Annotation( "ChEBI") "halide(1-)") -AnnotationAssertion(Annotation( "ChEBI") "halides") -AnnotationAssertion(Annotation( "ChEBI") "halogen anion") -AnnotationAssertion( "CHEBI:16042") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "halide anion") -SubClassOf( ) -SubClassOf( ) # Class: (ammonia) @@ -1442,7 +314,6 @@ AnnotationAssertion( "CHEBI:44284") AnnotationAssertion( "CHEBI:44404") AnnotationAssertion( "CHEBI:7434") -AnnotationAssertion(Annotation( "Beilstein") "Beilstein:3587154") AnnotationAssertion(Annotation( "ChemIDplus") "CAS:7664-41-7") AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:7664-41-7") AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:7664-41-7") @@ -1500,7 +371,6 @@ AnnotationAssertion( "ChemIDplus") "Ammoniak") AnnotationAssertion(Annotation( "IUPAC") "NH3") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "NH3") -AnnotationAssertion(Annotation( "UniProt") "NH3") AnnotationAssertion(Annotation( "ChEBI") "R-717") AnnotationAssertion(Annotation( "MolBase") "[NH3]") AnnotationAssertion(Annotation( "ChEBI") "ammoniac") @@ -1509,79 +379,10 @@ AnnotationAssertion(Annotation( "CHEBI:16134") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "ammonia") -SubClassOf( ) -SubClassOf( ) -SubClassOf( ) +SubClassOf( ) +SubClassOf( ) +SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (methane) - -AnnotationAssertion( "A one-carbon compound in which the carbon is attached by single bonds to four hydrogen atoms. It is a colourless, odourless, non-toxic but flammable gas (b.p. -161degreeC).") -AnnotationAssertion( "0") -AnnotationAssertion( "CH4") -AnnotationAssertion( "InChI=1S/CH4/h1H4") -AnnotationAssertion( "VNWKTOKETHGBQD-UHFFFAOYSA-N") -AnnotationAssertion( "16.04246") -AnnotationAssertion( "16.03130") -AnnotationAssertion( "[H]C([H])([H])[H]") -AnnotationAssertion( "CHEBI:14585") -AnnotationAssertion( "CHEBI:25220") -AnnotationAssertion( "CHEBI:6811") -AnnotationAssertion(Annotation( "ChemIDplus") "Beilstein:1718732") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:74-82-8") -AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:74-82-8") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:74-82-8") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:59") -AnnotationAssertion( "HMDB:HMDB0002714") -AnnotationAssertion( "KEGG:C01438") -AnnotationAssertion( "MetaCyc:CH4") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:17791569") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:23104415") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:23353606") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:23376302") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:23397538") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:23718889") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:23739479") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:23742231") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:23756351") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:24132456") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:24161402") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:24259373") -AnnotationAssertion( "Patent:FR994032") -AnnotationAssertion( "Patent:US2583090") -AnnotationAssertion(Annotation( "Reaxys") "Reaxys:1718732") -AnnotationAssertion(Annotation( "UM-BBD") "UM-BBD_compID:c0095") -AnnotationAssertion( "Wikipedia:Methane") -AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Methane") -AnnotationAssertion(Annotation( "ChEBI") "methane") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "methane") -AnnotationAssertion(Annotation( "UniProt") "methane") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "tetrahydridocarbon") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "IUPAC") "CH4") -AnnotationAssertion(Annotation( "ChEBI") "Methan") -AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "marsh gas") -AnnotationAssertion(Annotation( "ChEBI") "metano") -AnnotationAssertion(Annotation( "ChemIDplus") "methyl hydride") -AnnotationAssertion( "CHEBI:16183") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "methane") -SubClassOf( ) -SubClassOf( ) -SubClassOf( ) -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) # Class: (pyridine) @@ -1596,7 +397,6 @@ AnnotationAssertion( "CHEBI:14974") AnnotationAssertion( "CHEBI:26415") AnnotationAssertion( "CHEBI:8662") -AnnotationAssertion(Annotation( "Beilstein") "Beilstein:103233") AnnotationAssertion(Annotation( "ChemIDplus") "CAS:110-86-1") AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:110-86-1") AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:110-86-1") @@ -1618,427 +418,9 @@ AnnotationAssertion(Annotation( "CHEBI:16227") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "pyridine") -SubClassOf( ) -SubClassOf( ) -SubClassOf( ) -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (hydroxide) - -AnnotationAssertion( "-1") -AnnotationAssertion( "HO") -AnnotationAssertion( "InChI=1S/H2O/h1H2/p-1") -AnnotationAssertion( "XLYOFNOQVPJJNP-UHFFFAOYSA-M") -AnnotationAssertion( "17.00734") -AnnotationAssertion( "17.00329") -AnnotationAssertion( "[O-][H]") -AnnotationAssertion( "CHEBI:13365") -AnnotationAssertion( "CHEBI:13419") -AnnotationAssertion( "CHEBI:44641") -AnnotationAssertion( "CHEBI:5594") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:14280-30-9") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:14280-30-9") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:24714") -AnnotationAssertion( "KEGG:C01328") -AnnotationAssertion( "PDBeChem:OH") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "hydridooxygenate(1-)") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "hydroxide") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "oxidanide") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "KEGG_COMPOUND") "HO-") -AnnotationAssertion(Annotation( "PDBeChem") "HYDROXIDE ION") -AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Hydroxide ion") -AnnotationAssertion(Annotation( "IUPAC") "OH(-)") -AnnotationAssertion(Annotation( "KEGG_COMPOUND") "OH-") -AnnotationAssertion( "CHEBI:16234") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "hydroxide") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (benzene) - -AnnotationAssertion( "A six-carbon aromatic annulene in which each carbon atom donates one of its two 2p electrons into a delocalised pi system. A toxic, flammable liquid byproduct of coal distillation, it is used as an industrial solvent. Benzene is a carcinogen that also damages bone marrow and the central nervous system.") -AnnotationAssertion( "0") -AnnotationAssertion( "C6H6") -AnnotationAssertion( "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H") -AnnotationAssertion( "UHOVQNZJYSORNB-UHFFFAOYSA-N") -AnnotationAssertion( "78.11184") -AnnotationAssertion( "78.04695") -AnnotationAssertion( "c1ccccc1") -AnnotationAssertion( "CHEBI:13876") -AnnotationAssertion( "CHEBI:22703") -AnnotationAssertion( "CHEBI:3025") -AnnotationAssertion( "CHEBI:41187") -AnnotationAssertion(Annotation( "Beilstein") "Beilstein:969212") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:71-43-2") -AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:71-43-2") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:71-43-2") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:1671") -AnnotationAssertion( "HMDB:HMDB0001505") -AnnotationAssertion( "KEGG:C01407") -AnnotationAssertion( "PDBeChem:BNZ") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:11684179") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:11993966") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:12857942") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:14677922") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:15468289") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:15935818") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:16161967") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:17373369") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:18072742") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:18407866") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:18409691") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:18836923") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:19228219") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:21325737") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:23088855") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:23222815") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:23534829") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:6353911") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:8124204") -AnnotationAssertion(Annotation( "Reaxys") "Reaxys:969212") -AnnotationAssertion(Annotation( "UM-BBD") "UM-BBD_compID:c0142") -AnnotationAssertion( "Wikipedia:Benzene") -AnnotationAssertion(Annotation( "PDBeChem") "BENZENE") -AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Benzene") -AnnotationAssertion(Annotation( "ChEBI") "benzene") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "benzene") -AnnotationAssertion(Annotation( "UniProt") "benzene") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "IUPAC") "Benzen") -AnnotationAssertion(Annotation( "UM-BBD") "Benzine") -AnnotationAssertion(Annotation( "ChemIDplus") "Benzol") -AnnotationAssertion(Annotation( "ChemIDplus") "Bicarburet of hydrogen") -AnnotationAssertion(Annotation( "ChemIDplus") "Coal naphtha") -AnnotationAssertion(Annotation( "ChemIDplus") "Mineral naphtha") -AnnotationAssertion(Annotation( "ChemIDplus") "Phene") -AnnotationAssertion(Annotation( "ChemIDplus") "Pyrobenzol") -AnnotationAssertion(Annotation( "ChemIDplus") "Pyrobenzole") -AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "[6]annulene") -AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "benzole") -AnnotationAssertion(Annotation( "UM-BBD") "cyclohexatriene") -AnnotationAssertion(Annotation( "UM-BBD") "phenyl hydride") -AnnotationAssertion( "CHEBI:16716") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "benzene") -SubClassOf( ) -SubClassOf( ) -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (mineral nutrient) - -AnnotationAssertion( "A mineral that is an inorganic nutrient which must be ingested and absorbed in adequate amounts to satisfy a wide range of essential metabolic and/or structural functions in the human body.") -AnnotationAssertion( "Wikipedia:Mineral_(nutrient)") -AnnotationAssertion(Annotation( "ChEBI") "mineral nutrient") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "mineral nutrients") -AnnotationAssertion(Annotation( "ChEBI") "nutrient mineral") -AnnotationAssertion(Annotation( "ChEBI") "nutrient minerals") -AnnotationAssertion( "CHEBI:167164") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "mineral nutrient") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (morpholinium) - -AnnotationAssertion( "A secondary ammonium ion that is the conjugate acid of morpholine resulting from the protonation of the NH group. Major microspecies at pH 7.3.") -AnnotationAssertion( "+1") -AnnotationAssertion( "C4H10NO") -AnnotationAssertion( "InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2/p+1") -AnnotationAssertion( "YNAVUWVOSKDBBP-UHFFFAOYSA-O") -AnnotationAssertion( "88.129") -AnnotationAssertion( "88.07569") -AnnotationAssertion( "C1COCC[NH2+]1") -AnnotationAssertion( "Chemspider:4199185") -AnnotationAssertion( "MetaCyc:MORPHOLINE") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:19586072") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:25681783") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:26099357") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:26744296") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:28407378") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:28707619") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:32149213") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:32272314") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "morpholin-4-ium") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion( "CHEBI:167868") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "morpholinium") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (fluoride) - -AnnotationAssertion( "-1") -AnnotationAssertion( "F") -AnnotationAssertion( "InChI=1S/FH/h1H/p-1") -AnnotationAssertion( "KRHYYFGTRYWZRS-UHFFFAOYSA-M") -AnnotationAssertion( "18.99840") -AnnotationAssertion( "18.99895") -AnnotationAssertion( "[F-]") -AnnotationAssertion( "CHEBI:14271") -AnnotationAssertion( "CHEBI:49593") -AnnotationAssertion( "CHEBI:5113") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:16984-48-8") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:16984-48-8") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:14905") -AnnotationAssertion( "KEGG:C00742") -AnnotationAssertion( "PDBeChem:F") -AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Fluoride") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "fluoride") -AnnotationAssertion(Annotation( "UniProt") "fluoride") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "fluoride(1-)") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "IUPAC") "F(-)") -AnnotationAssertion(Annotation( "KEGG_COMPOUND") "F-") -AnnotationAssertion(Annotation( "PDBeChem") "FLUORIDE ION") -AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Fluoride ion") -AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "Fluorine anion") -AnnotationAssertion( "CHEBI:17051") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "fluoride") -SubClassOf( ) -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (ketone) - -AnnotationAssertion( "A compound in which a carbonyl group is bonded to two carbon atoms: R2C=O (neither R may be H).") -AnnotationAssertion( "0") -AnnotationAssertion( "COR2") -AnnotationAssertion( "28.010") -AnnotationAssertion( "27.99491") -AnnotationAssertion( "[*]C([*])=O") -AnnotationAssertion( "CHEBI:13427") -AnnotationAssertion( "CHEBI:13646") -AnnotationAssertion( "CHEBI:24974") -AnnotationAssertion( "CHEBI:6127") -AnnotationAssertion( "CHEBI:8742") -AnnotationAssertion( "KEGG:C01450") -AnnotationAssertion( "Wikipedia:Ketone") -AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Ketone") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "ketones") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "Keton") -AnnotationAssertion(Annotation( "KEGG_COMPOUND") "R-CO-R'") -AnnotationAssertion(Annotation( "UniProt") "a ketone") -AnnotationAssertion(Annotation( "ChEBI") "cetone") -AnnotationAssertion(Annotation( "ChEBI") "ketones") -AnnotationAssertion( "CHEBI:17087") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "ketone") -SubClassOf( ) - -# Class: (hydrogensulfite) - -AnnotationAssertion( "-1") -AnnotationAssertion( "HO3S") -AnnotationAssertion( "InChI=1S/H2O3S/c1-4(2)3/h(H2,1,2,3)/p-1") -AnnotationAssertion( "LSNNMFCWUKXFEE-UHFFFAOYSA-M") -AnnotationAssertion( "81.07214") -AnnotationAssertion( "80.96519") -AnnotationAssertion( "OS([O-])=O") -AnnotationAssertion( "CHEBI:13367") -AnnotationAssertion( "CHEBI:5598") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:15181-46-1") -AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:15181-46-1") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:1455") -AnnotationAssertion( "KEGG:C11481") -AnnotationAssertion( "PDBeChem:SO3") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "hydrogen(trioxidosulfate)(1-)") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "hydrogensulfite(1-)") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "hydrogentrioxosulfate(1-)") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "hydrogentrioxosulfate(IV)") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "hydroxidodioxidosulfate(1-)") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "monohydrogentrioxosulfate") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Bisulfite") -AnnotationAssertion(Annotation( "IUPAC") "HSO3(-)") -AnnotationAssertion(Annotation( "KEGG_COMPOUND") "HSO3-") -AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Hydrogen sulfite") -AnnotationAssertion(Annotation( "IUPAC") "[SO2(OH)](-)") -AnnotationAssertion(Annotation( "ChemIDplus") "bisulfite") -AnnotationAssertion(Annotation( "ChemIDplus") "bisulphite") -AnnotationAssertion(Annotation( "ChemIDplus") "hydrogen sulfite(1-)") -AnnotationAssertion(Annotation( "ChemIDplus") "hydrosulfite anion") -AnnotationAssertion( "CHEBI:17137") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "hydrogensulfite") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (propionate) - -AnnotationAssertion( "The conjugate base of propionic acid; a key precursor in lipid biosynthesis.") -AnnotationAssertion( "-1") -AnnotationAssertion( "C3H5O2") -AnnotationAssertion( "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)/p-1") -AnnotationAssertion( "XBDQKXXYIPTUBI-UHFFFAOYSA-M") -AnnotationAssertion( "73.07060") -AnnotationAssertion( "73.02950") -AnnotationAssertion( "CCC([O-])=O") -AnnotationAssertion( "CHEBI:14903") -AnnotationAssertion( "CHEBI:26290") -AnnotationAssertion(Annotation( "Beilstein") "Beilstein:3587503") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:72-03-7") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:72-03-7") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:1820") -AnnotationAssertion( "KEGG:C00163") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:17951291") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:18375549") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:2647392") -AnnotationAssertion(Annotation( "UM-BBD") "UM-BBD_compID:c0277") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "propanoate") -AnnotationAssertion(Annotation( "IUPAC") "propionate") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "IUPAC") "CH3-CH2-COO(-)") -AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "EtCO2 anion") -AnnotationAssertion(Annotation( "ChEBI") "carboxylatoethane") -AnnotationAssertion(Annotation( "ChEBI") "ethanecarboxylate") -AnnotationAssertion(Annotation( "ChEBI") "ethylformate") -AnnotationAssertion(Annotation( "ChEBI") "metacetonate") -AnnotationAssertion(Annotation( "ChEBI") "methylacetate") -AnnotationAssertion(Annotation( "ChEBI") "propanate") -AnnotationAssertion(Annotation( "UniProt") "propanoate") -AnnotationAssertion(Annotation( "ChemIDplus") "propanoic acid, ion(1-)") -AnnotationAssertion(Annotation( "ChEBI") "pseudoacetate") -AnnotationAssertion( "CHEBI:17272") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "propionate") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (sulfite) - -AnnotationAssertion( "A sulfur oxoanion that is the conjugate base of hydrogen sulfite (H2SO3).") -AnnotationAssertion( "-2") -AnnotationAssertion( "O3S") -AnnotationAssertion( "InChI=1S/H2O3S/c1-4(2)3/h(H2,1,2,3)/p-2") -AnnotationAssertion( "LSNNMFCWUKXFEE-UHFFFAOYSA-L") -AnnotationAssertion( "80.06420") -AnnotationAssertion( "79.95791") -AnnotationAssertion( "[O-]S([O-])=O") -AnnotationAssertion( "CHEBI:15139") -AnnotationAssertion( "CHEBI:45548") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:14265-45-3") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:1449") -AnnotationAssertion( "PDBeChem:SO3") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "sulfite") -AnnotationAssertion(Annotation( "UniProt") "sulfite") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "trioxidosulfate(2-)") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "trioxosulfate(2-)") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "trioxosulfate(IV)") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "SO3") -AnnotationAssertion(Annotation( "IUPAC") "SO3(2-)") -AnnotationAssertion(Annotation( "PDBeChem") "SULFITE ION") -AnnotationAssertion(Annotation( "IUPAC") "[SO3](2-)") -AnnotationAssertion(Annotation( "ChEBI") "sulphite") -AnnotationAssertion( "CHEBI:17359") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "sulfite") -SubClassOf( ) -SubClassOf( ) -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (cyanide) - -AnnotationAssertion( "A pseudohalide anion that is the conjugate base of hydrogen cyanide.") -AnnotationAssertion( "-1") -AnnotationAssertion( "CN") -AnnotationAssertion( "InChI=1S/CN/c1-2/q-1") -AnnotationAssertion( "XFXPMWWXUTWYJX-UHFFFAOYSA-N") -AnnotationAssertion( "26.01740") -AnnotationAssertion( "26.00362") -AnnotationAssertion( "[C-]#N") -AnnotationAssertion( "CHEBI:14038") -AnnotationAssertion( "CHEBI:3969") -AnnotationAssertion( "CHEBI:41780") -AnnotationAssertion(Annotation( "Beilstein") "Beilstein:1900509") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:57-12-5") -AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:57-12-5") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:57-12-5") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:89") -AnnotationAssertion( "HMDB:HMDB0002084") -AnnotationAssertion( "KEGG:C00177") -AnnotationAssertion( "MetaCyc:CPD-13584") -AnnotationAssertion( "PDBeChem:CYN") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:11386635") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:14871577") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:17554165") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:7839575") -AnnotationAssertion(Annotation( "Reaxys") "Reaxys:1900509") -AnnotationAssertion( "Wikipedia:Cyanide") -AnnotationAssertion(Annotation( "ChEBI") "Cyanide") -AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Cyanide") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "cyanide") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "nitridocarbonate(1-)") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "IUPAC") "CN(-)") -AnnotationAssertion(Annotation( "KEGG_COMPOUND") "CN-") -AnnotationAssertion(Annotation( "PDBeChem") "CYANIDE ION") -AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Prussiate") -AnnotationAssertion(Annotation( "ChEBI") "Zyanid") -AnnotationAssertion( "CHEBI:17514") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "cyanide") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (nitrate) - -AnnotationAssertion( "A nitrogen oxoanion formed by loss of a proton from nitric acid. Principal species present at pH 7.3.") -AnnotationAssertion( "-1") -AnnotationAssertion( "NO3") -AnnotationAssertion( "InChI=1S/NO3/c2-1(3)4/q-1") -AnnotationAssertion( "NHNBFGGVMKEFGY-UHFFFAOYSA-N") -AnnotationAssertion( "62.00490") -AnnotationAssertion( "61.98837") -AnnotationAssertion( "[O-][N+]([O-])=O") -AnnotationAssertion( "CHEBI:14654") -AnnotationAssertion( "CHEBI:44487") -AnnotationAssertion( "CHEBI:71263") -AnnotationAssertion(Annotation( "Beilstein") "Beilstein:3587575") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:14797-55-8") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:14797-55-8") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:1574") -AnnotationAssertion(Annotation( "SUBMITTER") "MetaCyc:NITRATE") -AnnotationAssertion( "PDBeChem:NO3") -AnnotationAssertion( "Wikipedia:Nitrate") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "nitrate") -AnnotationAssertion(Annotation( "UniProt") "nitrate") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "trioxidonitrate(1-)") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "trioxonitrate(1-)") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "trioxonitrate(V)") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "PDBeChem") "NITRATE ION") -AnnotationAssertion(Annotation( "ChEBI") "NO3") -AnnotationAssertion(Annotation( "IUPAC") "NO3(-)") -AnnotationAssertion(Annotation( "IUPAC") "[NO3](-)") -AnnotationAssertion(Annotation( "ChemIDplus") "nitrate(1-)") -AnnotationAssertion( "CHEBI:17632") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "nitrate") -SubClassOf( ) -SubClassOf( ) -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) +SubClassOf( ) +SubClassOf( ) +SubClassOf( ) # Class: (calcium-43 atom) @@ -2073,7 +455,7 @@ AnnotationAssertion(Annotation( "CHEBI:176566") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "calcium-43 atom") -SubClassOf( ) +SubClassOf( ) # Class: (rubidium-85 atom) @@ -2105,7 +487,7 @@ AnnotationAssertion(Annotation( "CHEBI:176572") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "rubidium-85 atom") -SubClassOf( ) +SubClassOf( ) # Class: (cobalt-59 atom) @@ -2143,7 +525,7 @@ AnnotationAssertion(Annotation( "CHEBI:176578") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "cobalt-59 atom") -SubClassOf( ) +SubClassOf( ) # Class: (manganese-55 atom) @@ -2171,7 +553,7 @@ AnnotationAssertion(Annotation( "CHEBI:176583") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "manganese-55 atom") -SubClassOf( ) +SubClassOf( ) # Class: (arsenic-75 atom) @@ -2193,181 +575,7 @@ AnnotationAssertion(Annotation( "CHEBI:176584") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "arsenic-75 atom") -SubClassOf( ) - -# Class: (organohalogen compound) - -AnnotationAssertion( "A compound containing at least one carbon-halogen bond (where X is a halogen atom).") -AnnotationAssertion( "0") -AnnotationAssertion( "RX") -AnnotationAssertion( "**") -AnnotationAssertion( "CHEBI:13444") -AnnotationAssertion( "CHEBI:36684") -AnnotationAssertion( "CHEBI:8767") -AnnotationAssertion( "KEGG:C01322") -AnnotationAssertion( "MetaCyc:Organohalogen-Compounds") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "KEGG_COMPOUND") "RX") -AnnotationAssertion(Annotation( "UniProt") "RX") -AnnotationAssertion(Annotation( "KEGG_COMPOUND") "organic halide") -AnnotationAssertion(Annotation( "ChEBI") "organic halides") -AnnotationAssertion(Annotation( "ChEBI") "organohalogen compounds") -AnnotationAssertion( "CHEBI:17792") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "organohalogen compound") -SubClassOf( ) -SubClassOf( ) - -# Class: (donor) - -AnnotationAssertion( "A molecular entity that can transfer (\"donate\") an electron, a pair of electrons, an atom or a group to another molecular entity.") -AnnotationAssertion( "CHEBI:14202") -AnnotationAssertion( "CHEBI:4697") -AnnotationAssertion( "KEGG:C01351") -AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Donor") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "Donator") -AnnotationAssertion(Annotation( "ChEBI") "donneur") -AnnotationAssertion( "CHEBI:17891") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "donor") -SubClassOf( ) - -# Class: (lipid) - -AnnotationAssertion( "'Lipids' is a loosely defined term for substances of biological origin that are soluble in nonpolar solvents. They consist of saponifiable lipids, such as glycerides (fats and oils) and phospholipids, as well as nonsaponifiable lipids, principally steroids.") -AnnotationAssertion( "CHEBI:14517") -AnnotationAssertion( "CHEBI:25054") -AnnotationAssertion( "CHEBI:6486") -AnnotationAssertion( "KEGG:C01356") -AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Lipid") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "lipids") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion( "CHEBI:18059") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "lipid") -SubClassOf( ) - -# Class: (hydrogen halide) - -AnnotationAssertion( "0") -AnnotationAssertion( "HX") -AnnotationAssertion( "1.008") -AnnotationAssertion( "1.00783") -AnnotationAssertion( "*[H]") -AnnotationAssertion( "CHEBI:13368") -AnnotationAssertion( "CHEBI:37140") -AnnotationAssertion( "CHEBI:5599") -AnnotationAssertion(Annotation( "IUPAC") "hydrogen halide") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "hydrogen halides") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "hydrogen halides") -AnnotationAssertion( "CHEBI:18140") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "hydrogen halide") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (iron atom) - -AnnotationAssertion( "An iron group element atom that has atomic number 26.") -AnnotationAssertion( "0") -AnnotationAssertion( "Fe") -AnnotationAssertion( "InChI=1S/Fe") -AnnotationAssertion( "XEEYBQQBJWHFJM-UHFFFAOYSA-N") -AnnotationAssertion( "55.84500") -AnnotationAssertion( "55.93494") -AnnotationAssertion( "[Fe]") -AnnotationAssertion( "CHEBI:13322") -AnnotationAssertion( "CHEBI:24872") -AnnotationAssertion( "CHEBI:5974") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:7439-89-6") -AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:7439-89-6") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:7439-89-6") -AnnotationAssertion( "DrugBank:DB01592") -AnnotationAssertion( "HMDB:HMDB0015531") -AnnotationAssertion( "KEGG:C00023") -AnnotationAssertion(Annotation( "Reaxys") "Reaxys:4122945") -AnnotationAssertion( "WebElements:Fe") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "iron") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "IUPAC") "26Fe") -AnnotationAssertion(Annotation( "ChEBI") "Eisen") -AnnotationAssertion(Annotation( "IUPAC") "Fe") -AnnotationAssertion(Annotation( "UniProt") "Fe") -AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Iron") -AnnotationAssertion(Annotation( "ChEBI") "fer") -AnnotationAssertion(Annotation( "IUPAC") "ferrum") -AnnotationAssertion(Annotation( "ChEBI") "hierro") -AnnotationAssertion(Annotation( "ChEBI") "iron") -AnnotationAssertion( "CHEBI:18248") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "iron atom") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (manganese atom) - -AnnotationAssertion( "0") -AnnotationAssertion( "Mn") -AnnotationAssertion( "InChI=1S/Mn") -AnnotationAssertion( "PWHULOQIROXLJO-UHFFFAOYSA-N") -AnnotationAssertion( "54.93805") -AnnotationAssertion( "54.93804") -AnnotationAssertion( "[Mn]") -AnnotationAssertion( "CHEBI:13382") -AnnotationAssertion( "CHEBI:25153") -AnnotationAssertion( "CHEBI:6681") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:7439-96-5") -AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:7439-96-5") -AnnotationAssertion( "KEGG:C00034") -AnnotationAssertion( "WebElements:Mn") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "manganese") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "IUPAC") "25Mn") -AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "Mangan") -AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Manganese") -AnnotationAssertion(Annotation( "IUPAC") "Mn") -AnnotationAssertion(Annotation( "UniProt") "Mn") -AnnotationAssertion(Annotation( "ChEBI") "manganese") -AnnotationAssertion(Annotation( "ChEBI") "manganeso") -AnnotationAssertion(Annotation( "ChEBI") "manganum") -AnnotationAssertion( "CHEBI:18291") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "manganese atom") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (alkane) - -AnnotationAssertion( "An acyclic branched or unbranched hydrocarbon having the general formula CnH2n+2, and therefore consisting entirely of hydrogen atoms and saturated carbon atoms.") -AnnotationAssertion( "0") -AnnotationAssertion( "CH3R") -AnnotationAssertion( "15.035") -AnnotationAssertion( "15.02348") -AnnotationAssertion( "C[*]") -AnnotationAssertion( "CHEBI:13435") -AnnotationAssertion( "CHEBI:22317") -AnnotationAssertion( "CHEBI:2576") -AnnotationAssertion( "KEGG:C01371") -AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Alkane") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "alkane") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "alkanes") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "Alkan") -AnnotationAssertion(Annotation( "KEGG_COMPOUND") "RH") -AnnotationAssertion(Annotation( "IUPAC") "alcane") -AnnotationAssertion(Annotation( "IUPAC") "alcanes") -AnnotationAssertion(Annotation( "IUPAC") "alcano") -AnnotationAssertion(Annotation( "IUPAC") "alcanos") -AnnotationAssertion(Annotation( "UniProt") "an alkane") -AnnotationAssertion( "CHEBI:18310") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "alkane") -SubClassOf( ) -SubClassOf( ) +SubClassOf( ) # Class: (triphenylphosphine) @@ -2407,138 +615,8 @@ AnnotationAssertion(Annotation( "CHEBI:183318") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "triphenylphosphine") -SubClassOf( ) -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (phosphate(3-)) - -AnnotationAssertion( "A phosphate ion that is the conjugate base of hydrogenphosphate.") -AnnotationAssertion( "-3") -AnnotationAssertion( "O4P") -AnnotationAssertion( "InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3") -AnnotationAssertion( "NBIIXXVUZAFLBC-UHFFFAOYSA-K") -AnnotationAssertion( "94.97136") -AnnotationAssertion( "94.95507") -AnnotationAssertion( "[O-]P([O-])([O-])=O") -AnnotationAssertion( "CHEBI:14791") -AnnotationAssertion( "CHEBI:45024") -AnnotationAssertion( "CHEBI:7793") -AnnotationAssertion(Annotation( "Beilstein") "Beilstein:3903772") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:14265-44-2") -AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:14265-44-2") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:1997") -AnnotationAssertion( "KEGG:C00009") -AnnotationAssertion( "PDBeChem:PO4") -AnnotationAssertion(Annotation( "Reaxys") "Reaxys:3903772") -AnnotationAssertion( "Wikipedia:Phosphate") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "phosphate") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "tetraoxidophosphate(3-)") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "tetraoxophosphate(3-)") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "tetraoxophosphate(V)") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Orthophosphate") -AnnotationAssertion(Annotation( "PDBeChem") "PHOSPHATE ION") -AnnotationAssertion(Annotation( "IUPAC") "PO4(3-)") -AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Phosphate") -AnnotationAssertion(Annotation( "IUPAC") "[PO4](3-)") -AnnotationAssertion( "CHEBI:18367") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "phosphate(3-)") -SubClassOf( ) -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (nitrile) - -AnnotationAssertion( "A compound having the structure RC#N; thus a C-substituted derivative of hydrocyanic acid, HC#N. In systematic nomenclature, the suffix nitrile denotes the triply bound #N atom, not the carbon atom attached to it.") -AnnotationAssertion( "0") -AnnotationAssertion( "CNR") -AnnotationAssertion( "26.01740") -AnnotationAssertion( "26.00307") -AnnotationAssertion( "[*]C#N") -AnnotationAssertion( "CHEBI:13212") -AnnotationAssertion( "CHEBI:13426") -AnnotationAssertion( "CHEBI:13660") -AnnotationAssertion( "CHEBI:25547") -AnnotationAssertion( "CHEBI:7584") -AnnotationAssertion( "KEGG:C00726") -AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Nitrile") -AnnotationAssertion(Annotation( "IUPAC") "nitrile") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "nitriles") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "Nitril") -AnnotationAssertion(Annotation( "KEGG_COMPOUND") "R-CN") -AnnotationAssertion(Annotation( "UniProt") "a nitrile") -AnnotationAssertion(Annotation( "IUPAC") "nitrilos") -AnnotationAssertion( "CHEBI:18379") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "nitrile") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (hydrogen cyanide) - -AnnotationAssertion( "A one-carbon compound consisting of a methine group triple bonded to a nitrogen atom") -AnnotationAssertion( "0") -AnnotationAssertion( "CHN") -AnnotationAssertion( "InChI=1S/CHN/c1-2/h1H") -AnnotationAssertion( "LELOWRISYMNNSU-UHFFFAOYSA-N") -AnnotationAssertion( "27.02530") -AnnotationAssertion( "27.01090") -AnnotationAssertion( "C#N") -AnnotationAssertion( "CHEBI:13362") -AnnotationAssertion( "CHEBI:5786") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:74-90-8") -AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:74-90-8") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:74-90-8") -AnnotationAssertion( "HMDB:HMDB0060292") -AnnotationAssertion( "KEGG:C01326") -AnnotationAssertion( "KNApSAcK:C00007569") -AnnotationAssertion( "MetaCyc:HCN") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:19849830") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:26700190") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:26778429") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:26823582") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:26940198") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:27123778") -AnnotationAssertion(Annotation( "Reaxys") "Reaxys:1718793") -AnnotationAssertion( "Wikipedia:Hydrogen_cyanide") -AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Hydrogen cyanide") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "hydridonitridocarbon") -AnnotationAssertion(Annotation( "IUPAC") "hydrogen cyanide") -AnnotationAssertion(Annotation( "UniProt") "hydrogen cyanide") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "hydrogen(nitridocarbonate)") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "methanenitrile") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "Blausaeure") -AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "Cyanwasserstoff") -AnnotationAssertion(Annotation( "KEGG_COMPOUND") "HCN") -AnnotationAssertion(Annotation( "IUPAC") "[CHN]") -AnnotationAssertion(Annotation( "IUPAC") "formonitrile") -AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "hydrocyanic acid") -AnnotationAssertion( "CHEBI:18407") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "hydrogen cyanide") -SubClassOf( ) -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (inorganic fluoride salt) - -AnnotationAssertion( "A fluoride salt that lacks C-H bonds") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion( "CHEBI:190416") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "inorganic fluoride salt") -SubClassOf( ) -SubClassOf( ) -SubClassOf( ) +SubClassOf( ) +SubClassOf( ) # Class: (acetonitrile-d3) @@ -2583,9 +661,8 @@ AnnotationAssertion(Annotation( "CHEBI:193039") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "benzene-d6") -SubClassOf( ) -SubClassOf( ) -SubClassOf( ) +SubClassOf( ) +SubClassOf( ) SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) @@ -2608,8 +685,8 @@ AnnotationAssertion(Annotation( "CHEBI:193040") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "N,N-dimethylformamide-d7") -SubClassOf( ) -SubClassOf( ) +SubClassOf( ) +SubClassOf( ) SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) @@ -2632,8 +709,8 @@ AnnotationAssertion(Annotation( "CHEBI:193041") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "dimethyl sulfoxide-d6") -SubClassOf( ) -SubClassOf( ) +SubClassOf( ) +SubClassOf( ) SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) @@ -2654,8 +731,8 @@ AnnotationAssertion(Annotation( "CHEBI:193042") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "dichloromethane-d2") -SubClassOf( ) -SubClassOf( ) +SubClassOf( ) +SubClassOf( ) SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) @@ -2678,9 +755,8 @@ AnnotationAssertion(Annotation( "CHEBI:193043") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "ethanol-d6") -SubClassOf( ) -SubClassOf( ) -SubClassOf( ) +SubClassOf( ) +SubClassOf( ) SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) @@ -2699,8 +775,8 @@ AnnotationAssertion( "CHEBI:193044") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "nitrobenzene-d5") -SubClassOf( ) -SubClassOf( ) +SubClassOf( ) +SubClassOf( ) SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) @@ -2721,8 +797,8 @@ AnnotationAssertion(Annotation( "CHEBI:193045") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "nitromethane-d3") -SubClassOf( ) -SubClassOf( ) +SubClassOf( ) +SubClassOf( ) SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) @@ -2743,10 +819,9 @@ AnnotationAssertion(Annotation( "CHEBI:193046") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "pyridine-d5") -SubClassOf( ) -SubClassOf( ) -SubClassOf( ) -SubClassOf( ) +SubClassOf( ) +SubClassOf( ) +SubClassOf( ) SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) @@ -2769,10 +844,8 @@ AnnotationAssertion(Annotation( "CHEBI:193047") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "oxolane-d8") -SubClassOf( ) -SubClassOf( ) -SubClassOf( ) -SubClassOf( ) +SubClassOf( ) +SubClassOf( ) SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) @@ -2794,9 +867,8 @@ AnnotationAssertion(Annotation( "CHEBI:193048") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "toluene-d8") -SubClassOf( ) -SubClassOf( ) -SubClassOf( ) +SubClassOf( ) +SubClassOf( ) SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) @@ -2819,7 +891,8 @@ AnnotationAssertion(Annotation( "CHEBI:193049") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "acetic acid-d4") -SubClassOf( ) +SubClassOf( ) +SubClassOf( ) SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) @@ -2843,7 +916,8 @@ AnnotationAssertion(Annotation( "CHEBI:193050") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "trifluoroacetic acid-d1") -SubClassOf( ) +SubClassOf( ) +SubClassOf( ) SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) @@ -2865,10 +939,9 @@ AnnotationAssertion(Annotation( "CHEBI:193131") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "1,1,2-Trichlorotrifluoroethane") -SubClassOf( ) -SubClassOf( ) +SubClassOf( ) +SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) # Class: (formic acid-d2) @@ -2887,7 +960,8 @@ AnnotationAssertion(Annotation( "CHEBI:193132") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "formic acid-d2") -SubClassOf( ) +SubClassOf( ) +SubClassOf( ) SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) @@ -2908,10 +982,8 @@ AnnotationAssertion(Annotation( "CHEBI:193133") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "methanol-d1") -SubClassOf( ) -SubClassOf( ) -SubClassOf( ) -SubClassOf( ) +SubClassOf( ) +SubClassOf( ) SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) @@ -2931,7 +1003,8 @@ AnnotationAssertion(Annotation( "CHEBI:193134") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "1,1,2,2-tetrachlorethane-d2") -SubClassOf( ) +SubClassOf( ) +SubClassOf( ) SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) @@ -2952,7 +1025,7 @@ AnnotationAssertion(Annotation( "CHEBI:193135") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "dimethyl ether-d6") -SubClassOf( ) +SubClassOf( ) SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) @@ -2975,7 +1048,8 @@ AnnotationAssertion(Annotation( "CHEBI:193136") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "fluorosulfonic acid") -SubClassOf( ) +SubClassOf( ) +SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) # Class: (antimony pentafluoride) @@ -2998,21 +1072,11 @@ AnnotationAssertion(Annotation( "CHEBI:193146") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "antimony pentafluoride") -SubClassOf( ) -SubClassOf( ) +SubClassOf( ) +SubClassOf( ) +SubClassOf( ) +SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (interhalogen compound) - -AnnotationAssertion( "A molecule which contains two or more different halogen atoms (fluorine, chlorine, bromine, iodine, or astatine) and no atoms of elements from any other group.") -AnnotationAssertion(Annotation( "SUBMITTER") "Wikipedia:https://en.wikipedia.org/wiki/Interhalogen") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "SUBMITTER") "interhalogen") -AnnotationAssertion( "CHEBI:193147") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "interhalogen compound") -SubClassOf( ) # Class: (bromine pentafluoride) @@ -3031,7 +1095,7 @@ AnnotationAssertion( "CHEBI:193148") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "bromine pentafluoride") -SubClassOf( ) +SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) # Class: (1-Propanesulfonic acid, 3-(trimethylsilyl)- (sodium salt)) @@ -3050,7 +1114,8 @@ AnnotationAssertion( "CHEBI:195173") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "1-Propanesulfonic acid, 3-(trimethylsilyl)- (sodium salt)") -SubClassOf( ) +SubClassOf( ) +SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) # Class: (NMR solvent) @@ -3063,143 +1128,12 @@ AnnotationAssertion(Annotation( "CHEBI:197449") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "NMR solvent") -SubClassOf( ) - -# Class: (sulfoxide) - -AnnotationAssertion( "An organosulfur compound having the structure R2S=O or R2C=S=O (R =/= H).") -AnnotationAssertion( "CHEBI:35813") -AnnotationAssertion(Annotation( "ChEBI") "sulfoxide") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "S-oxides") -AnnotationAssertion(Annotation( "ChEBI") "sulfoxides") -AnnotationAssertion( "CHEBI:22063") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "sulfoxide") -SubClassOf( ) - -# Class: (acyl group) - -AnnotationAssertion( "An organic group formed by removing one or more hydroxy groups from an oxoacid that has the general structure RkE(=O)l(OH)m (l =/= 0). Although the term is almost always applied to organic compounds, with carboxylic acid as the oxoacid, acyl groups can in principle be derived from other types of acids such as sulfonic acids or phosphonic acids.") -AnnotationAssertion(Annotation( "IUPAC") "acyl group") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "alkanoyl") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "acyl groups") -AnnotationAssertion(Annotation( "ChEBI") "alkanoyl group") -AnnotationAssertion(Annotation( "IUPAC") "groupe acyle") -AnnotationAssertion( "CHEBI:22221") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "acyl group") -SubClassOf( ) - -# Class: (alkaline earth metal atom) - -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "alkaline earth metals") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "Erdalkalimetall") -AnnotationAssertion(Annotation( "ChEBI") "Erdalkalimetalle") -AnnotationAssertion(Annotation( "ChEBI") "alkaline earth metal") -AnnotationAssertion(Annotation( "ChEBI") "alkaline-earth metal") -AnnotationAssertion(Annotation( "ChEBI") "alkaline-earth metals") -AnnotationAssertion(Annotation( "ChEBI") "metal alcalino-terreux") -AnnotationAssertion(Annotation( "ChEBI") "metal alcalinoterreo") -AnnotationAssertion(Annotation( "ChEBI") "metales alcalinoterreos") -AnnotationAssertion(Annotation( "ChEBI") "metaux alcalino-terreux") -AnnotationAssertion( "CHEBI:22313") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "alkaline earth metal atom") -SubClassOf( ) -SubClassOf( ) -SubClassOf( ) - -# Class: (alkali metal atom) - -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "alkali metals") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "Alkalimetall") -AnnotationAssertion(Annotation( "ChEBI") "Alkalimetalle") -AnnotationAssertion(Annotation( "ChEBI") "alkali metal") -AnnotationAssertion(Annotation( "ChEBI") "metal alcalin") -AnnotationAssertion(Annotation( "ChEBI") "metal alcalino") -AnnotationAssertion(Annotation( "ChEBI") "metales alcalinos") -AnnotationAssertion(Annotation( "ChEBI") "metaux alcalins") -AnnotationAssertion( "CHEBI:22314") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "alkali metal atom") -SubClassOf( ) -SubClassOf( ) -SubClassOf( ) - -# Class: (alkyl group) - -AnnotationAssertion( "A univalent group -CnH2n+1 derived from an alkane by removal of a hydrogen atom from any carbon atom.") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "alkyl group") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "alkyl groups") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "IUPAC") "groupe alkyle") -AnnotationAssertion(Annotation( "IUPAC") "grupo alquilo") -AnnotationAssertion(Annotation( "IUPAC") "grupos alquilo") -AnnotationAssertion( "CHEBI:22323") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "alkyl group") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (alkyl phosphate) - -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "alkyl phosphates") -AnnotationAssertion( "CHEBI:22324") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "alkyl phosphate") -SubClassOf( ) -SubClassOf( ) - -# Class: (anion) - -AnnotationAssertion( "A monoatomic or polyatomic species having one or more elementary charges of the electron.") -AnnotationAssertion(Annotation( "ChEBI") "Anion") -AnnotationAssertion(Annotation( "ChEBI") "anion") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "anion") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "Anionen") -AnnotationAssertion(Annotation( "ChEBI") "aniones") -AnnotationAssertion(Annotation( "IUPAC") "anions") -AnnotationAssertion( "CHEBI:22563") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "anion") -SubClassOf( ) - -# Class: (base) - -AnnotationAssertion( "A molecular entity having an available pair of electrons capable of forming a covalent bond with a hydron (Bronsted base) or with the vacant orbital of some other molecular entity (Lewis base).") -AnnotationAssertion( "KEGG:C00701") -AnnotationAssertion(Annotation( "ChEBI") "Base") -AnnotationAssertion(Annotation( "ChEBI") "base") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "base") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Base1") -AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Base2") -AnnotationAssertion(Annotation( "ChEBI") "Basen") -AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Nucleobase") -AnnotationAssertion(Annotation( "ChEBI") "bases") -AnnotationAssertion( "CHEBI:22695") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "base") -SubClassOf( ) - -# Class: (benzenes) - -AnnotationAssertion( "Any benzenoid aromatic compound consisting of the benzene skeleton and its substituted derivatives.") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion( "CHEBI:22712") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "benzenes") -SubClassOf( ) +SubClassOf( ) +SubClassOf( ) # Class: (NMR chemical shift reference compound) -AnnotationAssertion( "Any compound that produces a peak used to reference an NMR spectrum during data pre-processing.") +AnnotationAssertion( "Any compound that produces a peak used as reference frequency in the delta chemical shift scale.") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "NMR chemical shift reference compounds") AnnotationAssertion(Annotation( "ChEBI") "NMR chemical shift standard") @@ -3235,70 +1169,8 @@ AnnotationAssertion(Annotation( "CHEBI:228806") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "3-(trimethylsilyl)propane-1-sulfonate") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (boron molecular entity) - -AnnotationAssertion(Annotation( "ChEBI") "boron molecular entity") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "boron compounds") -AnnotationAssertion(Annotation( "ChEBI") "boron molecular entities") -AnnotationAssertion( "CHEBI:22916") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "boron molecular entity") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (bromide salt) - -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "bromide salts") -AnnotationAssertion(Annotation( "ChEBI") "bromides") -AnnotationAssertion( "CHEBI:22925") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "bromide salt") -SubClassOf( ) -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (bromine atom) - -AnnotationAssertion( "0") -AnnotationAssertion( "Br") -AnnotationAssertion( "InChI=1S/Br") -AnnotationAssertion( "WKBOTKDWSSQWDR-UHFFFAOYSA-N") -AnnotationAssertion( "79.90400") -AnnotationAssertion( "78.91834") -AnnotationAssertion( "[Br]") -AnnotationAssertion( "WebElements:Br") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "bromine") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "IUPAC") "35Br") -AnnotationAssertion(Annotation( "ChEBI") "Br") -AnnotationAssertion(Annotation( "ChEBI") "Brom") -AnnotationAssertion(Annotation( "ChEBI") "brome") -AnnotationAssertion(Annotation( "ChEBI") "bromine") -AnnotationAssertion(Annotation( "ChEBI") "bromo") -AnnotationAssertion(Annotation( "ChEBI") "bromum") -AnnotationAssertion( "CHEBI:22927") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "bromine atom") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (bromine molecular entity) - -AnnotationAssertion(Annotation( "ChEBI") "bromine molecular entity") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "bromine compounds") -AnnotationAssertion(Annotation( "ChEBI") "bromine molecular entities") -AnnotationAssertion( "CHEBI:22928") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "bromine molecular entity") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) +SubClassOf( ) +SubClassOf( ) # Class: (yttrium nitrate) @@ -3327,8 +1199,9 @@ AnnotationAssertion(Annotation( "CHEBI:229454") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "yttrium nitrate") -SubClassOf( ) -SubClassOf( ) +SubClassOf( ) +SubClassOf( ) +SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) # Class: (dimethylcadmium) @@ -3358,7 +1231,7 @@ AnnotationAssertion(Annotation( "CHEBI:229455") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "dimethylcadmium") -SubClassOf( ) +SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) # Class: (xenon oxytetrafluoride) @@ -3387,9 +1260,7 @@ AnnotationAssertion(Annotation( "CHEBI:229456") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "xenon oxytetrafluoride") -SubClassOf( ) -SubClassOf( ) -SubClassOf( ) +SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) # Class: (rhodium acetylacetonate) @@ -3402,7 +1273,8 @@ AnnotationAssertion( "CHEBI:229457") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "rhodium acetylacetonate") -SubClassOf( ) +SubClassOf( ) +SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) # Class: (thallium(III) nitrate) @@ -3439,176 +1311,10 @@ AnnotationAssertion(Annotation( "CHEBI:229458") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "thallium(III) nitrate") -SubClassOf( ) -SubClassOf( ) +SubClassOf( ) +SubClassOf( ) +SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (cadmium atom) - -AnnotationAssertion( "0") -AnnotationAssertion( "Cd") -AnnotationAssertion( "InChI=1S/Cd") -AnnotationAssertion( "BDOSMKKIYDKNTQ-UHFFFAOYSA-N") -AnnotationAssertion( "112.41100") -AnnotationAssertion( "113.90336") -AnnotationAssertion( "[Cd]") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:7440-43-9") -AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:7440-43-9") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:7440-43-9") -AnnotationAssertion( "KEGG:C01413") -AnnotationAssertion( "WebElements:Cd") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "cadmium") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "IUPAC") "48Cd") -AnnotationAssertion(Annotation( "IUPAC") "Cd") -AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "Kadmium") -AnnotationAssertion(Annotation( "ChEBI") "cadmio") -AnnotationAssertion(Annotation( "ChEBI") "cadmium") -AnnotationAssertion( "CHEBI:22977") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "cadmium atom") -SubClassOf( ) - -# Class: (calcium atom) - -AnnotationAssertion( "0") -AnnotationAssertion( "Ca") -AnnotationAssertion( "InChI=1S/Ca") -AnnotationAssertion( "OYPRJOBELJOOCE-UHFFFAOYSA-N") -AnnotationAssertion( "40.07800") -AnnotationAssertion( "39.96259") -AnnotationAssertion( "[Ca]") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:7440-70-2") -AnnotationAssertion( "DrugBank:DB01373") -AnnotationAssertion( "KEGG:C00076") -AnnotationAssertion( "WebElements:Ca") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "calcium") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "IUPAC") "20Ca") -AnnotationAssertion(Annotation( "IUPAC") "Ca") -AnnotationAssertion(Annotation( "UniProt") "Ca") -AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Calcium") -AnnotationAssertion(Annotation( "ChEBI") "Kalzium") -AnnotationAssertion(Annotation( "ChEBI") "calcio") -AnnotationAssertion(Annotation( "ChEBI") "calcium") -AnnotationAssertion( "CHEBI:22984") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "calcium atom") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (carbamoyl group) - -AnnotationAssertion( "The univalent carboacyl group formed by loss of -OH from the carboxy group of carbamic acid.") -AnnotationAssertion( "0") -AnnotationAssertion( "CH2NO") -AnnotationAssertion( "44.03272") -AnnotationAssertion( "44.01364") -AnnotationAssertion( "*C(N)=O") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:24168430") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "carbamoyl") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "-C(O)NH2") -AnnotationAssertion(Annotation( "IUPAC") "-CONH2") -AnnotationAssertion(Annotation( "IUPAC") "aminocarbonyl") -AnnotationAssertion(Annotation( "ChEBI") "carbamyl") -AnnotationAssertion(Annotation( "ChEBI") "carbamyl group") -AnnotationAssertion(Annotation( "IUPAC") "carboxamide") -AnnotationAssertion( "CHEBI:23004") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "carbamoyl group") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (carbonyl group) - -AnnotationAssertion( "0") -AnnotationAssertion( "CO") -AnnotationAssertion( "28.01010") -AnnotationAssertion( "27.99491") -AnnotationAssertion( "O=C(*)*") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "carbonyl") -AnnotationAssertion(Annotation( "ChEBI") "carbonyl group") -AnnotationAssertion(Annotation( "UniProt") "carbonyl group") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "IUPAC") ">C=O") -AnnotationAssertion( "CHEBI:23019") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "carbonyl group") -SubClassOf( ) - -# Class: (chlorine atom) - -AnnotationAssertion( "0") -AnnotationAssertion( "Cl") -AnnotationAssertion( "InChI=1S/Cl") -AnnotationAssertion( "ZAMOUSCENKQFHK-UHFFFAOYSA-N") -AnnotationAssertion( "35.45270") -AnnotationAssertion( "34.96885") -AnnotationAssertion( "[Cl]") -AnnotationAssertion( "WebElements:Cl") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "chlorine") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "IUPAC") "17Cl") -AnnotationAssertion(Annotation( "ChEBI") "Chlor") -AnnotationAssertion(Annotation( "IUPAC") "Cl") -AnnotationAssertion(Annotation( "ChEBI") "chlore") -AnnotationAssertion(Annotation( "ChEBI") "chlorine") -AnnotationAssertion(Annotation( "ChEBI") "chlorum") -AnnotationAssertion(Annotation( "ChEBI") "cloro") -AnnotationAssertion( "CHEBI:23116") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "chlorine atom") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (chlorine molecular entity) - -AnnotationAssertion( "A halogen molecular entity containing one or more atoms of chlorine.") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion( "CHEBI:23117") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "chlorine molecular entity") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (chloroalkane) - -AnnotationAssertion( "Any haloalkane that consists of an alkane substituted by at least one chloro group.") -AnnotationAssertion(Annotation( "ChEBI") "chloroalkane") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "alkyl chloride") -AnnotationAssertion(Annotation( "ChEBI") "alkyl chlorides") -AnnotationAssertion(Annotation( "ChEBI") "chloroalkanes") -AnnotationAssertion( "CHEBI:23128") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "chloroalkane") -SubClassOf( ) -SubClassOf( ) - -# Class: (chloromethanes) - -AnnotationAssertion( "A halomethane that is methane in which one or more hydrogens has been replaced by chlorine.") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion( "CHEBI:23148") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "chloromethanes") -SubClassOf( ) -SubClassOf( ) -SubClassOf( ) - -# Class: (cofactor) - -AnnotationAssertion( "An organic molecule or ion (usually a metal ion) that is required by an enzyme for its activity. It may be attached either loosely (coenzyme) or tightly (prosthetic group).") -AnnotationAssertion( "Wikipedia:Cofactor_(biochemistry)") -AnnotationAssertion(Annotation( "IUPAC") "cofactor") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "cofactors") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion( "CHEBI:23357") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "cofactor") -SubClassOf( ) # Class: (molecular entity) @@ -3623,328 +1329,6 @@ AnnotationAssertion(Annotation( "CHEBI:23367") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "molecular entity") -SubClassOf( ) - -# Class: (cyanides) - -AnnotationAssertion( "Salts and C-organyl derivatives of hydrogen cyanide, HC#N.") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "cyanides") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion( "CHEBI:23424") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "cyanides") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (drug) - -AnnotationAssertion( "Any substance which when absorbed into a living organism may modify one or more of its functions. The term is generally accepted for a substance taken for a therapeutic purpose, but is also commonly used for abused substances.") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "drugs") -AnnotationAssertion(Annotation( "ChEBI") "medicine") -AnnotationAssertion( "CHEBI:23888") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "drug") -SubClassOf( ) - -# Class: (monoatomic anion) - -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "monoatomic anions") -AnnotationAssertion( "CHEBI:23905") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "monoatomic anion") -SubClassOf( ) -SubClassOf( ) - -# Class: (monoatomic cation) - -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "monoatomic cations") -AnnotationAssertion( "CHEBI:23906") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "monoatomic cation") -SubClassOf( ) -SubClassOf( ) - -# Class: (enzyme inhibitor) - -AnnotationAssertion( "A compound or agent that combines with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "enzyme inhibitor") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "enzyme inhibitors") -AnnotationAssertion(Annotation( "ChEBI") "inhibidor enzimatico") -AnnotationAssertion(Annotation( "ChEBI") "inhibidores enzimaticos") -AnnotationAssertion(Annotation( "ChEBI") "inhibiteur enzymatique") -AnnotationAssertion(Annotation( "ChEBI") "inhibiteurs enzymatiques") -AnnotationAssertion( "CHEBI:23924") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "enzyme inhibitor") -SubClassOf( ) -SubClassOf( ) - -# Class: (ethanols) - -AnnotationAssertion( "Any primary alcohol based on an ethanol skeleton.") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion( "CHEBI:23982") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "ethanols") -SubClassOf( ) - -# Class: (fluoride salt) - -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "fluoride salts") -AnnotationAssertion(Annotation( "ChEBI") "fluorides") -AnnotationAssertion( "CHEBI:24060") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "fluoride salt") -SubClassOf( ) -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (fluorine atom) - -AnnotationAssertion( "0") -AnnotationAssertion( "F") -AnnotationAssertion( "InChI=1S/F") -AnnotationAssertion( "YCKRFDGAMUMZLT-UHFFFAOYSA-N") -AnnotationAssertion( "18.99840") -AnnotationAssertion( "18.99840") -AnnotationAssertion( "[F]") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:7782-41-4") -AnnotationAssertion( "WebElements:F") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "fluorine") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "IUPAC") "9F") -AnnotationAssertion(Annotation( "IUPAC") "F") -AnnotationAssertion(Annotation( "ChemIDplus") "Fluor") -AnnotationAssertion(Annotation( "ChEBI") "fluor") -AnnotationAssertion(Annotation( "ChEBI") "fluorine") -AnnotationAssertion(Annotation( "ChEBI") "fluorum") -AnnotationAssertion( "CHEBI:24061") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "fluorine atom") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (fluorine molecular entity) - -AnnotationAssertion(Annotation( "ChEBI") "fluorine molecular entity") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "fluorine compounds") -AnnotationAssertion(Annotation( "ChEBI") "fluorine molecular entities") -AnnotationAssertion( "CHEBI:24062") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "fluorine molecular entity") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (fluoroalkane) - -AnnotationAssertion( "A haloalkane that is an alkane in which at least one hydrogen atom has been replaced by a fluorine atom.") -AnnotationAssertion(Annotation( "ChEBI") "fluoroalkane") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "fluoroalkanes") -AnnotationAssertion( "CHEBI:24067") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "fluoroalkane") -SubClassOf( ) -SubClassOf( ) - -# Class: (formamides) - -AnnotationAssertion( "Amides with the general formula R(1)R(2)NCHO (R(1) and R(2) can be H).") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion( "CHEBI:24079") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "formamides") -SubClassOf( ) - -# Class: (chemical entity) - -AnnotationAssertion( "A chemical entity is a physical entity of interest in chemistry including molecular entities, parts thereof, and chemical substances.") -AnnotationAssertion(Annotation( "UniProt") "chemical entity") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion( "CHEBI:24431") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "chemical entity") - -# Class: (biological role) - -AnnotationAssertion( "A role played by the molecular entity or part thereof within a biological context.") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "biological function") -AnnotationAssertion( "CHEBI:24432") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "biological role") -SubClassOf( ) - -# Class: (group) - -AnnotationAssertion( "A defined linked collection of atoms or a single atom within a molecular entity.") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "group") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "Gruppe") -AnnotationAssertion(Annotation( "ChEBI") "Rest") -AnnotationAssertion(Annotation( "IUPAC") "groupe") -AnnotationAssertion(Annotation( "IUPAC") "grupo") -AnnotationAssertion(Annotation( "IUPAC") "grupos") -AnnotationAssertion( "CHEBI:24433") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "group") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (haloalkane) - -AnnotationAssertion( "A halohydrocarbon that is an alkane in which at least one hydrogen atom has been replaced by with a halogen atom.") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "alkyl halide") -AnnotationAssertion(Annotation( "ChEBI") "alkyl halides") -AnnotationAssertion(Annotation( "ChEBI") "haloalkanes") -AnnotationAssertion( "CHEBI:24469") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "haloalkane") -SubClassOf( ) - -# Class: (halogen molecular entity) - -AnnotationAssertion(Annotation( "ChEBI") "halogen molecular entity") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "halogen compounds") -AnnotationAssertion(Annotation( "ChEBI") "halogen molecular entities") -AnnotationAssertion( "CHEBI:24471") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "halogen molecular entity") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (halohydrocarbon) - -AnnotationAssertion( "A compound derived from a hydrocarbon by replacing a hydrogen atom with a halogen atom.") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "halogenated hydrocarbons") -AnnotationAssertion(Annotation( "ChEBI") "halohydrocarbons") -AnnotationAssertion( "CHEBI:24472") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "halohydrocarbon") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (halogen) - -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "halogen") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "halogens") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "Halogene") -AnnotationAssertion(Annotation( "ChEBI") "group 17 elements") -AnnotationAssertion(Annotation( "ChEBI") "group VII elements") -AnnotationAssertion(Annotation( "ChEBI") "halogene") -AnnotationAssertion(Annotation( "ChEBI") "halogenes") -AnnotationAssertion(Annotation( "ChEBI") "halogeno") -AnnotationAssertion(Annotation( "ChEBI") "halogenos") -AnnotationAssertion( "CHEBI:24473") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "halogen") -SubClassOf( ) -SubClassOf( ) - -# Class: (organic heterocyclic compound) - -AnnotationAssertion( "A cyclic compound having as ring members atoms of carbon and at least of one other element.") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "organic heterocycle") -AnnotationAssertion(Annotation( "ChEBI") "organic heterocyclic compounds") -AnnotationAssertion( "CHEBI:24532") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "organic heterocyclic compound") -SubClassOf( ) -SubClassOf( ) -SubClassOf( ) - -# Class: (hydrocarbon) - -AnnotationAssertion( "A compound consisting of carbon and hydrogen only.") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "hydrocarbon") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "hydrocarbons") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "Kohlenwasserstoff") -AnnotationAssertion(Annotation( "ChEBI") "Kohlenwasserstoffe") -AnnotationAssertion(Annotation( "IUPAC") "hidrocarburo") -AnnotationAssertion(Annotation( "IUPAC") "hidrocarburos") -AnnotationAssertion(Annotation( "IUPAC") "hydrocarbure") -AnnotationAssertion( "CHEBI:24632") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "hydrocarbon") -SubClassOf( ) - -# Class: (proton) - -AnnotationAssertion( "Nuclear particle of charge number +1, spin 1/2 and rest mass of 1.007276470(12) u.") -AnnotationAssertion( "+1") -AnnotationAssertion( "[1H]") -AnnotationAssertion( "InChI=1S/p+1/i/hH") -AnnotationAssertion( "GPRLSGONYQIRFK-FTGQXOHASA-N") -AnnotationAssertion( "1.007") -AnnotationAssertion( "1.00728") -AnnotationAssertion( "[1H+]") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:12408-02-5") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:12408-02-5") -AnnotationAssertion( "KEGG:C00080") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "protium(1+)") -AnnotationAssertion(Annotation( "ChEBI") "proton") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "proton") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "IUPAC") "(1)1H(+)") -AnnotationAssertion(Annotation( "IUPAC") "(1)H(+)") -AnnotationAssertion(Annotation( "IUPAC") "p") -AnnotationAssertion(Annotation( "IUPAC") "p(+)") -AnnotationAssertion( "CHEBI:24636") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "proton") -SubClassOf( ) -SubClassOf( ) - -# Class: (hydroxides) - -AnnotationAssertion( "Hydroxides are chemical compounds containing a hydroxy group or salts containing hydroxide (OH(-)).") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion( "CHEBI:24651") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "hydroxides") -SubClassOf( ) -SubClassOf( ) -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (oxoacid) - -AnnotationAssertion( "A compound which contains oxygen, at least one other element, and at least one hydrogen bound to oxygen, and which produces a conjugate base by loss of positive hydrogen ion(s) (hydrons).") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "oxoacid") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "oxoacids") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "oxacids") -AnnotationAssertion(Annotation( "ChEBI") "oxiacids") -AnnotationAssertion(Annotation( "ChEBI") "oxo acid") -AnnotationAssertion(Annotation( "ChEBI") "oxy-acids") -AnnotationAssertion(Annotation( "ChEBI") "oxyacids") -AnnotationAssertion( "CHEBI:24833") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "oxoacid") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (inorganic anion) - -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "inorganic anions") -AnnotationAssertion( "CHEBI:24834") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "inorganic anion") -SubClassOf( ) -SubClassOf( ) # Class: (inorganic molecular entity) @@ -3960,108 +1344,6 @@ AnnotationAssertion( "inorganic molecular entity") SubClassOf( ) -# Class: (inorganic oxide) - -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "inorganic oxides") -AnnotationAssertion( "CHEBI:24836") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "inorganic oxide") -SubClassOf( ) -SubClassOf( ) - -# Class: (inorganic salt) - -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "anorganisches Salz") -AnnotationAssertion(Annotation( "ChEBI") "inorganic salts") -AnnotationAssertion( "CHEBI:24839") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "inorganic salt") -SubClassOf( ) -SubClassOf( ) - -# Class: (insect attractant) - -AnnotationAssertion( "A chemical that attracts insects.") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:7044287") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "insect attractants") -AnnotationAssertion( "CHEBI:24850") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "insect attractant") -SubClassOf( ) - -# Class: (iodine atom) - -AnnotationAssertion( "Chemical element with atomic number 53.") -AnnotationAssertion( "0") -AnnotationAssertion( "I") -AnnotationAssertion( "InChI=1S/I") -AnnotationAssertion( "ZCYVEMRRCGMTRW-UHFFFAOYSA-N") -AnnotationAssertion( "126.90447") -AnnotationAssertion( "126.90447") -AnnotationAssertion( "[I]") -AnnotationAssertion( "WebElements:I") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "iodine") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "IUPAC") "53I") -AnnotationAssertion(Annotation( "ChEBI") "I") -AnnotationAssertion(Annotation( "ChEBI") "Iod") -AnnotationAssertion(Annotation( "ChEBI") "J") -AnnotationAssertion(Annotation( "ChEBI") "Jod") -AnnotationAssertion(Annotation( "ChEBI") "iode") -AnnotationAssertion(Annotation( "ChEBI") "iodine") -AnnotationAssertion(Annotation( "ChEBI") "iodium") -AnnotationAssertion(Annotation( "ChEBI") "yodo") -AnnotationAssertion( "CHEBI:24859") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "iodine atom") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (salt) - -AnnotationAssertion( "A salt is an assembly of cations and anions.") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "salt") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "Salz") -AnnotationAssertion(Annotation( "ChEBI") "Salze") -AnnotationAssertion(Annotation( "ChEBI") "ionic compound") -AnnotationAssertion(Annotation( "ChEBI") "ionic compounds") -AnnotationAssertion(Annotation( "ChEBI") "sal") -AnnotationAssertion(Annotation( "ChEBI") "sales") -AnnotationAssertion(Annotation( "ChEBI") "salts") -AnnotationAssertion(Annotation( "ChEBI") "sel") -AnnotationAssertion(Annotation( "ChEBI") "sels") -AnnotationAssertion( "CHEBI:24866") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "salt") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (monoatomic ion) - -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "monoatomic ions") -AnnotationAssertion( "CHEBI:24867") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "monoatomic ion") -SubClassOf( ) -SubClassOf( ) - -# Class: (organic salt) - -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "organic salts") -AnnotationAssertion(Annotation( "ChEBI") "organisches Salz") -AnnotationAssertion( "CHEBI:24868") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "organic salt") -SubClassOf( ) - # Class: (ion) AnnotationAssertion( "A molecular entity having a net electric charge.") @@ -4077,482 +1359,6 @@ AnnotationAssertion( "ion") SubClassOf( ) -# Class: (iron molecular entity) - -AnnotationAssertion(Annotation( "ChEBI") "iron molecular entity") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "iron compounds") -AnnotationAssertion(Annotation( "ChEBI") "iron molecular entities") -AnnotationAssertion( "CHEBI:24873") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "iron molecular entity") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (lead atom) - -AnnotationAssertion( "0") -AnnotationAssertion( "Pb") -AnnotationAssertion( "InChI=1S/Pb") -AnnotationAssertion( "WABPQHHGFIMREM-UHFFFAOYSA-N") -AnnotationAssertion( "207.20000") -AnnotationAssertion( "207.97665") -AnnotationAssertion( "[Pb]") -AnnotationAssertion( "KEGG:C06696") -AnnotationAssertion( "WebElements:Pb") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "lead") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "IUPAC") "82Pb") -AnnotationAssertion(Annotation( "ChEBI") "Blei") -AnnotationAssertion(Annotation( "IUPAC") "Pb") -AnnotationAssertion(Annotation( "ChEBI") "lead") -AnnotationAssertion(Annotation( "ChEBI") "plomb") -AnnotationAssertion(Annotation( "ChEBI") "plomo") -AnnotationAssertion(Annotation( "IUPAC") "plumbum") -AnnotationAssertion( "CHEBI:25016") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "lead atom") -SubClassOf( ) -SubClassOf( ) - -# Class: (magnesium atom) - -AnnotationAssertion( "0") -AnnotationAssertion( "Mg") -AnnotationAssertion( "InChI=1S/Mg") -AnnotationAssertion( "FYYHWMGAXLPEAU-UHFFFAOYSA-N") -AnnotationAssertion( "24.30500") -AnnotationAssertion( "23.98504") -AnnotationAssertion( "[Mg]") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:7439-95-4") -AnnotationAssertion( "DrugBank:DB01378") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:16207") -AnnotationAssertion( "KEGG:C00305") -AnnotationAssertion( "WebElements:Mg") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "magnesium") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "IUPAC") "12Mg") -AnnotationAssertion(Annotation( "ChEBI") "Magnesium") -AnnotationAssertion(Annotation( "IUPAC") "Mg") -AnnotationAssertion(Annotation( "UniProt") "Mg") -AnnotationAssertion(Annotation( "ChEBI") "magnesio") -AnnotationAssertion(Annotation( "ChEBI") "magnesium") -AnnotationAssertion( "CHEBI:25107") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "magnesium atom") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (mercury atom) - -AnnotationAssertion( "0") -AnnotationAssertion( "Hg") -AnnotationAssertion( "InChI=1S/Hg") -AnnotationAssertion( "QSHDDOUJBYECFT-UHFFFAOYSA-N") -AnnotationAssertion( "200.59000") -AnnotationAssertion( "201.97064") -AnnotationAssertion( "[Hg]") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:7439-97-6") -AnnotationAssertion( "WebElements:Hg") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "mercury") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "IUPAC") "80Hg") -AnnotationAssertion(Annotation( "IUPAC") "Hg") -AnnotationAssertion(Annotation( "ChemIDplus") "Quecksilber") -AnnotationAssertion(Annotation( "ChEBI") "azogue") -AnnotationAssertion(Annotation( "IUPAC") "hydrargyrum") -AnnotationAssertion(Annotation( "ChemIDplus") "liquid silver") -AnnotationAssertion(Annotation( "ChemIDplus") "mercure") -AnnotationAssertion(Annotation( "ChEBI") "mercurio") -AnnotationAssertion(Annotation( "ChEBI") "mercury") -AnnotationAssertion(Annotation( "ChemIDplus") "quicksilver") -AnnotationAssertion( "CHEBI:25195") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "mercury atom") -SubClassOf( ) - -# Class: (mercury molecular entity) - -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "mercury compounds") -AnnotationAssertion(Annotation( "ChEBI") "mercury molecular entities") -AnnotationAssertion( "CHEBI:25196") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "mercury molecular entity") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (metabolite) - -AnnotationAssertion( "Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.") -AnnotationAssertion( "CHEBI:26619") -AnnotationAssertion( "CHEBI:35220") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "metabolite") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "metabolites") -AnnotationAssertion(Annotation( "ChEBI") "primary metabolites") -AnnotationAssertion(Annotation( "ChEBI") "secondary metabolites") -AnnotationAssertion( "CHEBI:25212") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "metabolite") -SubClassOf( ) - -# Class: (metal cation) - -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "UniProt") "a metal cation") -AnnotationAssertion(Annotation( "ChEBI") "metal cations") -AnnotationAssertion( "CHEBI:25213") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "metal cation") -SubClassOf( ) -SubClassOf( ) - -# Class: (methylmercury compound) - -AnnotationAssertion( "An alkylmercury compound in which the alkyl group specified is methyl.") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "methylmercury compounds") -AnnotationAssertion( "CHEBI:25322") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "methylmercury compound") -SubClassOf( ) - -# Class: (mitochondrial respiratory-chain inhibitor) - -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "mitochondrial electron transport chain inhibitors") -AnnotationAssertion(Annotation( "ChEBI") "mitochondrial electron-transport chain inhibitor") -AnnotationAssertion(Annotation( "ChEBI") "mitochondrial respiratory chain inhibitors") -AnnotationAssertion( "CHEBI:25355") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "mitochondrial respiratory-chain inhibitor") -SubClassOf( ) - -# Class: (molecule) - -AnnotationAssertion( "Any polyatomic entity that is an electrically neutral entity consisting of more than one atom.") -AnnotationAssertion(Annotation( "IUPAC") "molecule") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "Molekuel") -AnnotationAssertion(Annotation( "IUPAC") "molecula") -AnnotationAssertion(Annotation( "IUPAC") "molecules") -AnnotationAssertion(Annotation( "IUPAC") "neutral molecular compounds") -AnnotationAssertion( "CHEBI:25367") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "molecule") -SubClassOf( ) - -# Class: (monocarboxylic acid) - -AnnotationAssertion( "An oxoacid containing a single carboxy group.") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "monocarboxylic acids") -AnnotationAssertion( "CHEBI:25384") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "monocarboxylic acid") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (monoatomic monocation) - -AnnotationAssertion( "+1") -AnnotationAssertion( "0.00000") -AnnotationAssertion( "[*+]") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "monoatomic monocations") -AnnotationAssertion(Annotation( "ChEBI") "monovalent inorganic cations") -AnnotationAssertion( "CHEBI:25414") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "monoatomic monocation") -SubClassOf( ) - -# Class: (nitrogen atom) - -AnnotationAssertion( "0") -AnnotationAssertion( "N") -AnnotationAssertion( "14.007") -AnnotationAssertion( "14.00307") -AnnotationAssertion( "WebElements:N") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "nitrogen") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "IUPAC") "7N") -AnnotationAssertion(Annotation( "IUPAC") "N") -AnnotationAssertion(Annotation( "ChEBI") "Stickstoff") -AnnotationAssertion(Annotation( "IUPAC") "azote") -AnnotationAssertion(Annotation( "ChEBI") "nitrogen") -AnnotationAssertion(Annotation( "ChEBI") "nitrogeno") -AnnotationAssertion( "CHEBI:25555") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "nitrogen atom") -SubClassOf( ) -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (nonmetal atom) - -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "nonmetal") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "Nichtmetall") -AnnotationAssertion(Annotation( "ChEBI") "Nichtmetalle") -AnnotationAssertion(Annotation( "ChEBI") "no metal") -AnnotationAssertion(Annotation( "ChEBI") "no metales") -AnnotationAssertion(Annotation( "ChEBI") "non-metal") -AnnotationAssertion(Annotation( "ChEBI") "non-metaux") -AnnotationAssertion(Annotation( "ChEBI") "nonmetal") -AnnotationAssertion(Annotation( "ChEBI") "nonmetals") -AnnotationAssertion( "CHEBI:25585") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "nonmetal atom") -SubClassOf( ) - -# Class: (organic heteromonocyclic compound) - -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "organic heteromonocyclic compounds") -AnnotationAssertion( "CHEBI:25693") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "organic heteromonocyclic compound") -SubClassOf( ) -SubClassOf( ) - -# Class: (organic anion) - -AnnotationAssertion( "Any organic ion with a net negative charge.") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "organic anions") -AnnotationAssertion( "CHEBI:25696") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "organic anion") -SubClassOf( ) -SubClassOf( ) - -# Class: (organic cation) - -AnnotationAssertion( "Any organic ion with a net positive charge.") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "organic cations") -AnnotationAssertion( "CHEBI:25697") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "organic cation") -SubClassOf( ) -SubClassOf( ) - -# Class: (ether) - -AnnotationAssertion( "An organooxygen compound with formula ROR, where R is not hydrogen.") -AnnotationAssertion( "0") -AnnotationAssertion( "OR2") -AnnotationAssertion( "15.99940") -AnnotationAssertion( "15.99491") -AnnotationAssertion( "[*]O[*]") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "ether") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "ethers") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "ethers") -AnnotationAssertion( "CHEBI:25698") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "ether") -SubClassOf( ) - -# Class: (organic ion) - -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "organic ions") -AnnotationAssertion( "CHEBI:25699") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "organic ion") -SubClassOf( ) -SubClassOf( ) - -# Class: (organic phosphate) - -AnnotationAssertion( "Wikipedia:Organophosphate") -AnnotationAssertion(Annotation( "ChEBI") "organic phosphate") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "organic phosphate ester") -AnnotationAssertion(Annotation( "ChEBI") "organic phosphate esters") -AnnotationAssertion(Annotation( "ChEBI") "organic phosphates") -AnnotationAssertion(Annotation( "ChEBI") "organophosphate ester") -AnnotationAssertion(Annotation( "ChEBI") "organophosphate esters") -AnnotationAssertion( "CHEBI:25703") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "organic phosphate") -SubClassOf( ) -SubClassOf( ) -SubClassOf( ) - -# Class: (organomercury compound) - -AnnotationAssertion( "A compound containing at least one carbon-mercury bond.") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "organomercury compounds") -AnnotationAssertion( "CHEBI:25706") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "organomercury compound") -SubClassOf( ) -SubClassOf( ) - -# Class: (organometallic compound) - -AnnotationAssertion( "A compound having bonds between one or more metal atoms and one or more carbon atoms of an organyl group.") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "organometallic compounds") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "metalloorganic compounds") -AnnotationAssertion(Annotation( "ChEBI") "metalloorganics") -AnnotationAssertion(Annotation( "ChEBI") "metalorganic compounds") -AnnotationAssertion(Annotation( "ChEBI") "organometallics") -AnnotationAssertion( "CHEBI:25707") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "organometallic compound") -SubClassOf( ) - -# Class: (aliphatic alcohol) - -AnnotationAssertion( "An alcohol derived from an aliphatic compound.") -AnnotationAssertion( "0") -AnnotationAssertion( "HOR") -AnnotationAssertion( "17.007") -AnnotationAssertion( "17.00274") -AnnotationAssertion( "O*") -AnnotationAssertion( "KEGG:C02525") -AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Aliphatic alcohol") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "aliphatic alcohols") -AnnotationAssertion(Annotation( "UniProt") "an aliphatic alcohol") -AnnotationAssertion( "CHEBI:2571") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "aliphatic alcohol") -SubClassOf( ) - -# Class: (organophosphorus compound) - -AnnotationAssertion( "An organophosphorus compound is formally a compound containing at least one carbon-phosphorus bond, but the term is often extended to include esters and thioesters.") -AnnotationAssertion( "Wikipedia:Organophosphorus_compound") -AnnotationAssertion(Annotation( "ChEBI") "organophosphorus compound") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "organophosphorus compounds") -AnnotationAssertion( "CHEBI:25710") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "organophosphorus compound") -SubClassOf( ) -SubClassOf( ) - -# Class: (organoselenium compound) - -AnnotationAssertion( "An organoselenium compound is a compound containing at least one carbon-selenium bond.") -AnnotationAssertion(Annotation( "ChEBI") "organoselenium compound") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "organoselenium compounds") -AnnotationAssertion( "CHEBI:25712") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "organoselenium compound") -SubClassOf( ) -SubClassOf( ) - -# Class: (organosilicon compound) - -AnnotationAssertion( "An organosilicon compound is a compound containing at least one carbon-silicon bond.") -AnnotationAssertion(Annotation( "ChEBI") "organosilicon compound") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "organosilicon compounds") -AnnotationAssertion(Annotation( "ChEBI") "silicoorganic compounds") -AnnotationAssertion( "CHEBI:25713") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "organosilicon compound") -SubClassOf( ) -SubClassOf( ) - -# Class: (organotin compound) - -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "organotin compounds") -AnnotationAssertion(Annotation( "ChEBI") "stannanes") -AnnotationAssertion( "CHEBI:25717") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "organotin compound") -SubClassOf( ) -SubClassOf( ) - -# Class: (oxide) - -AnnotationAssertion( "An oxide is a chemical compound of oxygen with other chemical elements.") -AnnotationAssertion(Annotation( "ChEBI") "oxide") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "oxides") -AnnotationAssertion( "CHEBI:25741") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "oxide") -SubClassOf( ) -SubClassOf( ) - -# Class: (oxime) - -AnnotationAssertion( "Compounds of structure R2C=NOH derived from condensation of aldehydes or ketones with hydroxylamine. Oximes from aldehydes may be called aldoximes; those from ketones may be called ketoximes.") -AnnotationAssertion( "0") -AnnotationAssertion( "CHNOR2") -AnnotationAssertion( "43.02470") -AnnotationAssertion( "43.00581") -AnnotationAssertion( "O\\N=C(\\[*])[*]") -AnnotationAssertion(Annotation( "IUPAC") "oxime") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "oximes") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "oximes") -AnnotationAssertion( "CHEBI:25750") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "oxime") -SubClassOf( ) -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (oxygen atom) - -AnnotationAssertion( "0") -AnnotationAssertion( "O") -AnnotationAssertion( "InChI=1S/O") -AnnotationAssertion( "QVGXLLKOCUKJST-UHFFFAOYSA-N") -AnnotationAssertion( "15.99940") -AnnotationAssertion( "15.99491") -AnnotationAssertion( "[O]") -AnnotationAssertion( "KEGG:C00007") -AnnotationAssertion( "WebElements:O") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "oxygen") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "IUPAC") "8O") -AnnotationAssertion(Annotation( "IUPAC") "O") -AnnotationAssertion(Annotation( "ChEBI") "Sauerstoff") -AnnotationAssertion(Annotation( "ChEBI") "oxigeno") -AnnotationAssertion(Annotation( "ChEBI") "oxygen") -AnnotationAssertion(Annotation( "ChEBI") "oxygene") -AnnotationAssertion( "CHEBI:25805") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "oxygen atom") -SubClassOf( ) -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (oxygen molecular entity) - -AnnotationAssertion(Annotation( "ChEBI") "oxygen molecular entity") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "oxygen molecular entities") -AnnotationAssertion( "CHEBI:25806") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "oxygen molecular entity") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (phosphate) - -AnnotationAssertion( "Salts and esters of phosphoric and oligophosphoric acids and their chalcogen analogues. In inorganic chemistry, the term is also used to describe anionic coordination entities with phosphorus as central atom.") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "phosphates") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "phosphates") -AnnotationAssertion( "CHEBI:26020") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "phosphate") -SubClassOf( ) - # Class: (phosphoric acid) AnnotationAssertion( "A phosphorus oxoacid that consists of one oxo and three hydroxy groups joined covalently to a central phosphorus atom.") @@ -4563,7 +1369,6 @@ AnnotationAssertion( "97.99520") AnnotationAssertion( "97.97690") AnnotationAssertion( "[H]OP(=O)(O[H])O[H]") -AnnotationAssertion(Annotation( "Beilstein") "Beilstein:1921286") AnnotationAssertion(Annotation( "ChemIDplus") "CAS:7664-38-2") AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:7664-38-2") AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:7664-38-2") @@ -4601,994 +1406,9 @@ AnnotationAssertion(Annotation( "CHEBI:26078") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "phosphoric acid") -SubClassOf( ) +SubClassOf( ) +SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (phosphoric acid derivative) - -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion( "CHEBI:26079") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "phosphoric acid derivative") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (phosphorus molecular entity) - -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "phosphorus molecular entities") -AnnotationAssertion( "CHEBI:26082") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "phosphorus molecular entity") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (potassium atom) - -AnnotationAssertion( "0") -AnnotationAssertion( "K") -AnnotationAssertion( "InChI=1S/K") -AnnotationAssertion( "ZLMJMSJWJFRBEC-UHFFFAOYSA-N") -AnnotationAssertion( "39.09830") -AnnotationAssertion( "38.96371") -AnnotationAssertion( "[K]") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:7440-09-7") -AnnotationAssertion( "DrugBank:DB01345") -AnnotationAssertion( "KEGG:C00238") -AnnotationAssertion( "WebElements:K") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "potassium") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "IUPAC") "19K") -AnnotationAssertion(Annotation( "IUPAC") "K") -AnnotationAssertion(Annotation( "ChemIDplus") "Kalium") -AnnotationAssertion(Annotation( "IUPAC") "kalium") -AnnotationAssertion(Annotation( "ChEBI") "potasio") -AnnotationAssertion(Annotation( "ChEBI") "potassium") -AnnotationAssertion( "CHEBI:26216") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "potassium atom") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (potassium molecular entity) - -AnnotationAssertion(Annotation( "ChEBI") "potassium molecular entity") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "potassium molecular entities") -AnnotationAssertion( "CHEBI:26217") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "potassium molecular entity") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (potassium salt) - -AnnotationAssertion( "Any alkali metal salt having potassium(1+) as the cation.") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "Kaliumsalz") -AnnotationAssertion(Annotation( "ChEBI") "Kaliumsalze") -AnnotationAssertion(Annotation( "ChEBI") "potassium salts") -AnnotationAssertion( "CHEBI:26218") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "potassium salt") -SubClassOf( ) -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (propanones) - -AnnotationAssertion( "A ketone that is propane carrying at least one oxo substituent.") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion( "CHEBI:26292") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "propanones") -SubClassOf( ) - -# Class: (pyridines) - -AnnotationAssertion( "Any organonitrogen heterocyclic compound based on a pyridine skeleton and its substituted derivatives.") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion( "CHEBI:26421") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "pyridines") -SubClassOf( ) -SubClassOf( ) - -# Class: (quaternary nitrogen compound) - -AnnotationAssertion( "A nitrogen molecular entity that is electronically neutral but which contains a quaternary nitrogen.") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion( "CHEBI:26469") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "quaternary nitrogen compound") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (saturated fatty acid) - -AnnotationAssertion( "Any fatty acid containing no carbon to carbon multiple bonds. Known to produce adverse biological effects when ingested to excess.") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:16492686") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:19763019") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:20237329") -AnnotationAssertion(Annotation( "ChEBI") "saturated fatty acid") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "SFA") -AnnotationAssertion(Annotation( "ChEBI") "SFAs") -AnnotationAssertion(Annotation( "ChEBI") "saturated fatty acids") -AnnotationAssertion( "CHEBI:26607") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "saturated fatty acid") -SubClassOf( ) - -# Class: (selenium molecular entity) - -AnnotationAssertion(Annotation( "ChEBI") "selenium molecular entity") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "selenium molecular entities") -AnnotationAssertion( "CHEBI:26628") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "selenium molecular entity") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (short-chain fatty acid) - -AnnotationAssertion( "An aliphatic monocarboxylic acid with a chain length of less than C6. If any non-hydrocarbon substituent is present, the compound is not normally regarded as a short-chain fatty acid.") -AnnotationAssertion( "0") -AnnotationAssertion( "CH2OR") -AnnotationAssertion( "45.017") -AnnotationAssertion( "44.99765") -AnnotationAssertion( "OC([*])=O") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:16633129") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:16870803") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:18203540") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:20148677") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "SCFA") -AnnotationAssertion(Annotation( "ChEBI") "SCFAs") -AnnotationAssertion(Annotation( "ChEBI") "short-chain fatty acids") -AnnotationAssertion( "CHEBI:26666") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "short-chain fatty acid") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (silicon molecular entity) - -AnnotationAssertion(Annotation( "ChEBI") "silicon molecular entity") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "silicon compounds") -AnnotationAssertion(Annotation( "ChEBI") "silicon molecular entities") -AnnotationAssertion( "CHEBI:26677") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "silicon molecular entity") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (sodium atom) - -AnnotationAssertion( "0") -AnnotationAssertion( "Na") -AnnotationAssertion( "InChI=1S/Na") -AnnotationAssertion( "KEAYESYHFKHZAL-UHFFFAOYSA-N") -AnnotationAssertion( "22.98977") -AnnotationAssertion( "22.98977") -AnnotationAssertion( "[Na]") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:7440-23-5") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:16221") -AnnotationAssertion( "KEGG:C01330") -AnnotationAssertion( "WebElements:Na") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "sodium") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "IUPAC") "11Na") -AnnotationAssertion(Annotation( "IUPAC") "Na") -AnnotationAssertion(Annotation( "ChemIDplus") "Natrium") -AnnotationAssertion(Annotation( "IUPAC") "natrium") -AnnotationAssertion(Annotation( "ChemIDplus") "sodio") -AnnotationAssertion(Annotation( "ChEBI") "sodium") -AnnotationAssertion( "CHEBI:26708") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "sodium atom") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (sodium molecular entity) - -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "sodium compounds") -AnnotationAssertion(Annotation( "ChEBI") "sodium molecular entities") -AnnotationAssertion( "CHEBI:26712") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "sodium molecular entity") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (sodium salt) - -AnnotationAssertion( "Any alkali metal salt having sodium(1+) as the cation.") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "Natriumsalz") -AnnotationAssertion(Annotation( "ChEBI") "Natriumsalze") -AnnotationAssertion(Annotation( "ChEBI") "sodium salts") -AnnotationAssertion( "CHEBI:26714") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "sodium salt") -SubClassOf( ) -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (sulfur atom) - -AnnotationAssertion( "0") -AnnotationAssertion( "S") -AnnotationAssertion( "InChI=1S/S") -AnnotationAssertion( "NINIDFKCEFEMDL-UHFFFAOYSA-N") -AnnotationAssertion( "32.06600") -AnnotationAssertion( "31.97207") -AnnotationAssertion( "[S]") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:7704-34-9") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:7704-34-9") -AnnotationAssertion( "KEGG:C00087") -AnnotationAssertion( "KEGG:D06527") -AnnotationAssertion( "PPDB:605") -AnnotationAssertion( "WebElements:S") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "sulfur") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "IUPAC") "16S") -AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Elemental sulfur") -AnnotationAssertion(Annotation( "IUPAC") "S") -AnnotationAssertion(Annotation( "KEGG_COMPOUND") "S") -AnnotationAssertion(Annotation( "ChEBI") "Schwefel") -AnnotationAssertion(Annotation( "ChEBI") "azufre") -AnnotationAssertion(Annotation( "ChEBI") "soufre") -AnnotationAssertion(Annotation( "ChEBI") "sulfur") -AnnotationAssertion(Annotation( "UniProt") "sulfur") -AnnotationAssertion(Annotation( "ChEBI") "sulphur") -AnnotationAssertion(Annotation( "IUPAC") "theion") -AnnotationAssertion( "CHEBI:26833") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "sulfur atom") -SubClassOf( ) -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (sulfur molecular entity) - -AnnotationAssertion(Annotation( "ChEBI") "sulfur molecular entity") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "sulfur molecular entities") -AnnotationAssertion( "CHEBI:26835") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "sulfur molecular entity") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (oxolanes) - -AnnotationAssertion( "Any oxacycle having an oxolane (tetrahydrofuran) skeleton.") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion( "CHEBI:26912") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "oxolanes") -SubClassOf( ) -SubClassOf( ) - -# Class: (tin atom) - -AnnotationAssertion( "0") -AnnotationAssertion( "Sn") -AnnotationAssertion( "InChI=1S/Sn") -AnnotationAssertion( "ATJFFYVFTNAWJD-UHFFFAOYSA-N") -AnnotationAssertion( "118.71000") -AnnotationAssertion( "119.90220") -AnnotationAssertion( "[Sn]") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:7440-31-5") -AnnotationAssertion(Annotation( "UM-BBD") "UM-BBD_compID:c0585") -AnnotationAssertion( "WebElements:Sn") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "tin") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "IUPAC") "50Sn") -AnnotationAssertion(Annotation( "IUPAC") "Sn") -AnnotationAssertion(Annotation( "ChemIDplus") "Zinn") -AnnotationAssertion(Annotation( "ChEBI") "estano") -AnnotationAssertion(Annotation( "ChEBI") "etain") -AnnotationAssertion(Annotation( "IUPAC") "stannum") -AnnotationAssertion(Annotation( "ChEBI") "tin") -AnnotationAssertion( "CHEBI:27007") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "tin atom") -SubClassOf( ) -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (tin molecular entity) - -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "tin compounds") -AnnotationAssertion(Annotation( "ChEBI") "tin molecular entities") -AnnotationAssertion( "CHEBI:27008") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "tin molecular entity") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (toluenes) - -AnnotationAssertion( "Any member of the class of benzenes that is a substituted benzene in which the substituents include one (and only one) methyl group.") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion( "CHEBI:27024") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "toluenes") -SubClassOf( ) - -# Class: (micronutrient) - -AnnotationAssertion( "Any nutrient required in small quantities by organisms throughout their life in order to orchestrate a range of physiological functions.") -AnnotationAssertion( "Wikipedia:Micronutrient") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "micronutrients") -AnnotationAssertion(Annotation( "ChEBI") "trace elements") -AnnotationAssertion( "CHEBI:27027") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "micronutrient") -SubClassOf( ) - -# Class: (transition element atom) - -AnnotationAssertion( "An element whose atom has an incomplete d sub-shell, or which can give rise to cations with an incomplete d sub-shell.") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "transition element") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "Uebergangselement") -AnnotationAssertion(Annotation( "ChEBI") "Uebergangsmetalle") -AnnotationAssertion(Annotation( "ChEBI") "metal de transicion") -AnnotationAssertion(Annotation( "ChEBI") "metal de transition") -AnnotationAssertion(Annotation( "ChEBI") "metales de transicion") -AnnotationAssertion(Annotation( "ChEBI") "metaux de transition") -AnnotationAssertion(Annotation( "ChEBI") "transition element") -AnnotationAssertion(Annotation( "ChEBI") "transition elements") -AnnotationAssertion(Annotation( "ChEBI") "transition metal") -AnnotationAssertion(Annotation( "ChEBI") "transition metals") -AnnotationAssertion( "CHEBI:27081") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "transition element atom") -SubClassOf( ) - -# Class: (trifluoroacetate) - -AnnotationAssertion( "-1") -AnnotationAssertion( "C2F3O2") -AnnotationAssertion( "InChI=1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)/p-1") -AnnotationAssertion( "DTQVDTLACAAQTR-UHFFFAOYSA-M") -AnnotationAssertion( "113.01541") -AnnotationAssertion( "112.98559") -AnnotationAssertion( "[O-]C(=O)C(F)(F)F") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:14477-72-6") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:14477-72-6") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:82342") -AnnotationAssertion(Annotation( "UM-BBD") "UM-BBD_compID:c0799") -AnnotationAssertion(Annotation( "ChEBI") "trifluoroacetate") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "trifluoroacetate") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "CF3CO2 anion") -AnnotationAssertion(Annotation( "ChEBI") "CF3COO(-)") -AnnotationAssertion(Annotation( "IUPAC") "tfa") -AnnotationAssertion(Annotation( "ChemIDplus") "trifluoroacetic acid, ion(1-)") -AnnotationAssertion( "CHEBI:27110") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "trifluoroacetate") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (univalent carboacyl group) - -AnnotationAssertion( "A univalent carboacyl group is a group formed by loss of OH from the carboxy group of a carboxylic acid.") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "univalent acyl group") -AnnotationAssertion(Annotation( "ChEBI") "univalent carboacyl groups") -AnnotationAssertion(Annotation( "ChEBI") "univalent carboxylic acyl groups") -AnnotationAssertion( "CHEBI:27207") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "univalent carboacyl group") -SubClassOf( ) - -# Class: (boron atom) - -AnnotationAssertion( "0") -AnnotationAssertion( "B") -AnnotationAssertion( "InChI=1S/B") -AnnotationAssertion( "ZOXJGFHDIHLPTG-UHFFFAOYSA-N") -AnnotationAssertion( "10.81100") -AnnotationAssertion( "11.00930") -AnnotationAssertion( "[B]") -AnnotationAssertion( "CHEBI:22915") -AnnotationAssertion( "CHEBI:3152") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:7440-42-8") -AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:7440-42-8") -AnnotationAssertion( "KEGG:C06266") -AnnotationAssertion( "WebElements:B") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "boron") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "IUPAC") "5B") -AnnotationAssertion(Annotation( "KEGG_COMPOUND") "B") -AnnotationAssertion(Annotation( "ChEBI") "Bor") -AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Boron") -AnnotationAssertion(Annotation( "ChEBI") "boracium") -AnnotationAssertion(Annotation( "ChEBI") "bore") -AnnotationAssertion(Annotation( "ChEBI") "boro") -AnnotationAssertion(Annotation( "ChEBI") "boron") -AnnotationAssertion( "CHEBI:27560") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "boron atom") -SubClassOf( ) -SubClassOf( ) -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (arsenic atom) - -AnnotationAssertion( "0") -AnnotationAssertion( "As") -AnnotationAssertion( "InChI=1S/As") -AnnotationAssertion( "RQNWIZPPADIBDY-UHFFFAOYSA-N") -AnnotationAssertion( "74.92160") -AnnotationAssertion( "74.92159") -AnnotationAssertion( "[As]") -AnnotationAssertion( "CHEBI:22630") -AnnotationAssertion( "CHEBI:2845") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:7440-38-2") -AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:7440-38-2") -AnnotationAssertion( "KEGG:C06269") -AnnotationAssertion( "WebElements:As") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "arsenic") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "IUPAC") "33As") -AnnotationAssertion(Annotation( "ChemIDplus") "Arsen") -AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Arsenic") -AnnotationAssertion(Annotation( "KEGG_COMPOUND") "As") -AnnotationAssertion(Annotation( "ChEBI") "arsenic") -AnnotationAssertion(Annotation( "ChEBI") "arsenico") -AnnotationAssertion(Annotation( "ChEBI") "arsenicum") -AnnotationAssertion( "CHEBI:27563") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "arsenic atom") -SubClassOf( ) -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (selenium atom) - -AnnotationAssertion( "0") -AnnotationAssertion( "Se") -AnnotationAssertion( "InChI=1S/Se") -AnnotationAssertion( "BUGBHKTXTAQXES-UHFFFAOYSA-N") -AnnotationAssertion( "78.96000") -AnnotationAssertion( "79.91652") -AnnotationAssertion( "[Se]") -AnnotationAssertion( "CHEBI:26627") -AnnotationAssertion( "CHEBI:9091") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:7782-49-2") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:7782-49-2") -AnnotationAssertion( "DrugBank:DB11135") -AnnotationAssertion( "FooDB:FDB013400") -AnnotationAssertion( "HMDB:HMDB0001349") -AnnotationAssertion( "KEGG:C01529") -AnnotationAssertion( "WebElements:Se") -AnnotationAssertion( "Wikipedia:Selenium") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "selenium") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "IUPAC") "34Se") -AnnotationAssertion(Annotation( "IUPAC") "Se") -AnnotationAssertion(Annotation( "ChemIDplus") "Selen") -AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Selenium") -AnnotationAssertion(Annotation( "ChEBI") "selenio") -AnnotationAssertion(Annotation( "ChEBI") "selenium") -AnnotationAssertion( "CHEBI:27568") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "selenium atom") -SubClassOf( ) -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (silicon atom) - -AnnotationAssertion( "0") -AnnotationAssertion( "Si") -AnnotationAssertion( "InChI=1S/Si") -AnnotationAssertion( "XUIMIQQOPSSXEZ-UHFFFAOYSA-N") -AnnotationAssertion( "28.08550") -AnnotationAssertion( "27.97693") -AnnotationAssertion( "[Si]") -AnnotationAssertion( "CHEBI:26676") -AnnotationAssertion( "CHEBI:9140") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:7440-21-3") -AnnotationAssertion( "KEGG:C06263") -AnnotationAssertion( "WebElements:Si") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "silicon") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "IUPAC") "14Si") -AnnotationAssertion(Annotation( "IUPAC") "Si") -AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Si") -AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Silicon") -AnnotationAssertion(Annotation( "ChEBI") "Silizium") -AnnotationAssertion(Annotation( "ChEBI") "silicio") -AnnotationAssertion(Annotation( "ChEBI") "silicium") -AnnotationAssertion(Annotation( "ChEBI") "silicon") -AnnotationAssertion( "CHEBI:27573") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "silicon atom") -SubClassOf( ) -SubClassOf( ) -SubClassOf( ) - -# Class: (carbon atom) - -AnnotationAssertion( "0") -AnnotationAssertion( "C") -AnnotationAssertion( "InChI=1S/C") -AnnotationAssertion( "OKTJSMMVPCPJKN-UHFFFAOYSA-N") -AnnotationAssertion( "12.01070") -AnnotationAssertion( "12.00000") -AnnotationAssertion( "[C]") -AnnotationAssertion( "CHEBI:23009") -AnnotationAssertion( "CHEBI:3399") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:7440-44-0") -AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:7440-44-0") -AnnotationAssertion( "KEGG:C06265") -AnnotationAssertion( "WebElements:C") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "carbon") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "IUPAC") "6C") -AnnotationAssertion(Annotation( "IUPAC") "C") -AnnotationAssertion(Annotation( "KEGG_COMPOUND") "C") -AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Carbon") -AnnotationAssertion(Annotation( "ChEBI") "Kohlenstoff") -AnnotationAssertion(Annotation( "ChEBI") "carbon") -AnnotationAssertion(Annotation( "ChEBI") "carbone") -AnnotationAssertion(Annotation( "ChEBI") "carbonium") -AnnotationAssertion(Annotation( "ChEBI") "carbono") -AnnotationAssertion( "CHEBI:27594") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "carbon atom") -SubClassOf( ) -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (cobalt atom) - -AnnotationAssertion( "A cobalt group element atom that has atomic number 27.") -AnnotationAssertion( "0") -AnnotationAssertion( "Co") -AnnotationAssertion( "InChI=1S/Co") -AnnotationAssertion( "GUTLYIVDDKVIGB-UHFFFAOYSA-N") -AnnotationAssertion( "58.93320") -AnnotationAssertion( "58.93319") -AnnotationAssertion( "[Co]") -AnnotationAssertion( "CHEBI:23335") -AnnotationAssertion( "CHEBI:3788") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:7440-48-4") -AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:7440-48-4") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:7440-48-4") -AnnotationAssertion( "KEGG:C00175") -AnnotationAssertion( "KEGG:C19171") -AnnotationAssertion( "PDBeChem:3CO") -AnnotationAssertion( "WebElements:Co") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "cobalt") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "IUPAC") "27Co") -AnnotationAssertion(Annotation( "IUPAC") "Co") -AnnotationAssertion(Annotation( "UniProt") "Co") -AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Cobalt") -AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "Kobalt") -AnnotationAssertion(Annotation( "ChEBI") "cobalt") -AnnotationAssertion(Annotation( "ChEBI") "cobalto") -AnnotationAssertion(Annotation( "ChEBI") "cobaltum") -AnnotationAssertion( "CHEBI:27638") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "cobalt atom") -SubClassOf( ) -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (tungsten) - -AnnotationAssertion( "0") -AnnotationAssertion( "W") -AnnotationAssertion( "InChI=1S/W") -AnnotationAssertion( "WFKWXMTUELFFGS-UHFFFAOYSA-N") -AnnotationAssertion( "183.84000") -AnnotationAssertion( "183.95093") -AnnotationAssertion( "[W]") -AnnotationAssertion( "CHEBI:27170") -AnnotationAssertion( "CHEBI:9779") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:7440-33-7") -AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:7440-33-7") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:7440-33-7") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:16317") -AnnotationAssertion( "KEGG:C00753") -AnnotationAssertion( "PDBeChem:W") -AnnotationAssertion( "WebElements:W") -AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Tungsten") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "tungsten") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "wolfram") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "IUPAC") "74W") -AnnotationAssertion(Annotation( "IUPAC") "W") -AnnotationAssertion(Annotation( "UniProt") "W") -AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "Wolfram") -AnnotationAssertion(Annotation( "ChEBI") "tungsten atom") -AnnotationAssertion(Annotation( "ChEBI") "tungstene") -AnnotationAssertion(Annotation( "ChEBI") "tungsteno") -AnnotationAssertion(Annotation( "ChEBI") "volframio") -AnnotationAssertion(Annotation( "ChEBI") "wolframio") -AnnotationAssertion(Annotation( "ChEBI") "wolframium") -AnnotationAssertion( "CHEBI:27998") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "tungsten") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (carbamic acid) - -AnnotationAssertion( "A one-carbon compound that is ammonia in which one of the hydrogens is replaced by a carboxy group. Although carbamic acid derivatives are common, carbamic acid itself has never been synthesised.") -AnnotationAssertion( "0") -AnnotationAssertion( "CH3NO2") -AnnotationAssertion( "InChI=1S/CH3NO2/c2-1(3)4/h2H2,(H,3,4)") -AnnotationAssertion( "KXDHJXZQYSOELW-UHFFFAOYSA-N") -AnnotationAssertion( "61.04006") -AnnotationAssertion( "61.01638") -AnnotationAssertion( "NC(O)=O") -AnnotationAssertion( "CHEBI:22504") -AnnotationAssertion( "CHEBI:23002") -AnnotationAssertion( "CHEBI:3386") -AnnotationAssertion( "CHEBI:44573") -AnnotationAssertion(Annotation( "Beilstein") "Beilstein:1734754") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:463-77-4") -AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:463-77-4") -AnnotationAssertion( "DrugBank:DB04261") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:130345") -AnnotationAssertion( "KEGG:C01563") -AnnotationAssertion( "PDBeChem:OUT") -AnnotationAssertion( "Wikipedia:Carbamic_acid") -AnnotationAssertion(Annotation( "PDBeChem") "CARBAMIC ACID") -AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Carbamic acid") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "carbamic acid") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "Aminoameisensaeure") -AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Aminoformic acid") -AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Carbamate") -AnnotationAssertion(Annotation( "ChEBI") "Carbamidsaeure") -AnnotationAssertion( "CHEBI:28616") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "carbamic acid") -SubClassOf( ) -SubClassOf( ) -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (phosphorus atom) - -AnnotationAssertion( "0") -AnnotationAssertion( "P") -AnnotationAssertion( "InChI=1S/P") -AnnotationAssertion( "OAICVXFJPJFONN-UHFFFAOYSA-N") -AnnotationAssertion( "30.97376") -AnnotationAssertion( "30.97376") -AnnotationAssertion( "[P]") -AnnotationAssertion( "CHEBI:26080") -AnnotationAssertion( "CHEBI:8168") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:7723-14-0") -AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:7723-14-0") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:16235") -AnnotationAssertion( "KEGG:C06262") -AnnotationAssertion( "WebElements:P") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "phosphorus") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "IUPAC") "15P") -AnnotationAssertion(Annotation( "IUPAC") "P") -AnnotationAssertion(Annotation( "KEGG_COMPOUND") "P") -AnnotationAssertion(Annotation( "ChEBI") "Phosphor") -AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Phosphorus") -AnnotationAssertion(Annotation( "ChEBI") "fosforo") -AnnotationAssertion(Annotation( "ChEBI") "phosphore") -AnnotationAssertion(Annotation( "ChEBI") "phosphorus") -AnnotationAssertion( "CHEBI:28659") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "phosphorus atom") -SubClassOf( ) -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (molybdenum atom) - -AnnotationAssertion( "0") -AnnotationAssertion( "Mo") -AnnotationAssertion( "InChI=1S/Mo") -AnnotationAssertion( "ZOKXTWBITQBERF-UHFFFAOYSA-N") -AnnotationAssertion( "95.94000") -AnnotationAssertion( "97.90541") -AnnotationAssertion( "[Mo]") -AnnotationAssertion( "CHEBI:25369") -AnnotationAssertion( "CHEBI:49750") -AnnotationAssertion( "CHEBI:6968") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:7439-98-7") -AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:7439-98-7") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:7439-98-7") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:16205") -AnnotationAssertion( "KEGG:C00150") -AnnotationAssertion( "WebElements:Mo") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "molybdenum") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "IUPAC") "42Mo") -AnnotationAssertion(Annotation( "IUPAC") "Mo") -AnnotationAssertion(Annotation( "UniProt") "Mo") -AnnotationAssertion(Annotation( "ChEBI") "Molybdaen") -AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Molybdenum") -AnnotationAssertion(Annotation( "ChEBI") "molibdeno") -AnnotationAssertion(Annotation( "ChEBI") "molybdene") -AnnotationAssertion(Annotation( "ChEBI") "molybdenum") -AnnotationAssertion( "CHEBI:28685") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "molybdenum atom") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (fatty acid anion) - -AnnotationAssertion( "The conjugate base of a fatty acid, arising from deprotonation of the carboxylic acid group of the corresponding fatty acid.") -AnnotationAssertion( "-1") -AnnotationAssertion( "CO2R") -AnnotationAssertion( "44.00950") -AnnotationAssertion( "43.98983") -AnnotationAssertion( "[O-]C([*])=O") -AnnotationAssertion( "CHEBI:13634") -AnnotationAssertion( "CHEBI:24022") -AnnotationAssertion( "CHEBI:4985") -AnnotationAssertion( "KEGG:C02403") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:18628202") -AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Fatty acid anion") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Alkanate") -AnnotationAssertion(Annotation( "ChEBI") "Fettsaeureanion") -AnnotationAssertion(Annotation( "ChEBI") "Fettsaeureanionen") -AnnotationAssertion(Annotation( "UniProt") "a fatty acid") -AnnotationAssertion(Annotation( "ChEBI") "acido graso anionico") -AnnotationAssertion(Annotation( "ChEBI") "acidos grasos anionicos") -AnnotationAssertion(Annotation( "ChEBI") "anion de l'acide gras") -AnnotationAssertion(Annotation( "ChEBI") "fatty acid anions") -AnnotationAssertion( "CHEBI:28868") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "fatty acid anion") -SubClassOf( ) -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (ammonium) - -AnnotationAssertion( "An onium cation obtained by protonation of ammonia.") -AnnotationAssertion( "+1") -AnnotationAssertion( "H4N") -AnnotationAssertion( "InChI=1S/H3N/h1H3/p+1") -AnnotationAssertion( "QGZKDVFQNNGYKY-UHFFFAOYSA-O") -AnnotationAssertion( "18.03850") -AnnotationAssertion( "18.03383") -AnnotationAssertion( "[H][N+]([H])([H])[H]") -AnnotationAssertion( "CHEBI:22534") -AnnotationAssertion( "CHEBI:49783") -AnnotationAssertion( "CHEBI:7435") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:14798-03-9") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:14798-03-9") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:84") -AnnotationAssertion( "KEGG:C01342") -AnnotationAssertion( "MetaCyc:AMMONIUM") -AnnotationAssertion( "MolBase:929") -AnnotationAssertion( "PDBeChem:NH4") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:11319011") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:11341317") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:12096804") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:14512268") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:14879753") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:16345391") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:16903292") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:17392693") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:18515490") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:19199063") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:19596600") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:19682559") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:19716251") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:21993530") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:22265469") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:22524020") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:22562341") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:22631217") -AnnotationAssertion(Annotation( "Reaxys") "Reaxys:16093784") -AnnotationAssertion( "Wikipedia:Ammonium") -AnnotationAssertion(Annotation( "ChEBI") "ammonium") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "ammonium") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "azanium") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChemIDplus") "Ammonium(1+)") -AnnotationAssertion(Annotation( "IUPAC") "NH4(+)") -AnnotationAssertion(Annotation( "UniProt") "NH4(+)") -AnnotationAssertion(Annotation( "KEGG_COMPOUND") "NH4+") -AnnotationAssertion(Annotation( "MolBase") "[NH4](+)") -AnnotationAssertion(Annotation( "ChemIDplus") "ammonium cation") -AnnotationAssertion(Annotation( "PDBeChem") "ammonium ion") -AnnotationAssertion( "CHEBI:28938") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "ammonium") -SubClassOf( ) -SubClassOf( ) -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (aluminium atom) - -AnnotationAssertion( "0") -AnnotationAssertion( "Al") -AnnotationAssertion( "InChI=1S/Al") -AnnotationAssertion( "XAGFODPZIPBFFR-UHFFFAOYSA-N") -AnnotationAssertion( "26.98154") -AnnotationAssertion( "26.98154") -AnnotationAssertion( "[Al]") -AnnotationAssertion( "CHEBI:22471") -AnnotationAssertion( "CHEBI:2616") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:7429-90-5") -AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:7429-90-5") -AnnotationAssertion( "DrugBank:DB01370") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:16248") -AnnotationAssertion( "KEGG:C06264") -AnnotationAssertion( "WebElements:Al") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "aluminium") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "IUPAC") "13Al") -AnnotationAssertion(Annotation( "IUPAC") "Al") -AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Al") -AnnotationAssertion(Annotation( "ChEBI") "Aluminium") -AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Aluminium") -AnnotationAssertion(Annotation( "ChEBI") "aluminio") -AnnotationAssertion(Annotation( "ChEBI") "aluminium") -AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "aluminum") -AnnotationAssertion( "CHEBI:28984") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "aluminium atom") -SubClassOf( ) -SubClassOf( ) - -# Class: (carboxylic acid anion) - -AnnotationAssertion( "The conjugate base formed when the carboxy group of a carboxylic acid is deprotonated.") -AnnotationAssertion( "-1") -AnnotationAssertion( "CO2R") -AnnotationAssertion( "44.00950") -AnnotationAssertion( "43.98983") -AnnotationAssertion( "[O-]C([*])=O") -AnnotationAssertion( "CHEBI:13626") -AnnotationAssertion( "CHEBI:13945") -AnnotationAssertion( "CHEBI:23026") -AnnotationAssertion( "CHEBI:58657") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "UniProt") "a carboxylate") -AnnotationAssertion(Annotation( "ChEBI") "carboxylic acid anions") -AnnotationAssertion(Annotation( "ChEBI") "carboxylic anions") -AnnotationAssertion( "CHEBI:29067") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "carboxylic acid anion") -SubClassOf( ) -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (sodium(1+)) - -AnnotationAssertion( "A monoatomic monocation obtained from sodium.") -AnnotationAssertion( "+1") -AnnotationAssertion( "Na") -AnnotationAssertion( "InChI=1S/Na/q+1") -AnnotationAssertion( "FKNQFGJONOIPTF-UHFFFAOYSA-N") -AnnotationAssertion( "22.98977") -AnnotationAssertion( "22.98922") -AnnotationAssertion( "[Na+]") -AnnotationAssertion( "CHEBI:26717") -AnnotationAssertion( "CHEBI:49766") -AnnotationAssertion( "CHEBI:9175") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:17341-25-2") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:17341-25-2") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:15196") -AnnotationAssertion( "KEGG:C01330") -AnnotationAssertion( "PDBeChem:NA") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "sodium cation") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "sodium(1+)") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "sodium(1+) ion") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "sodium(I) cation") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "IUPAC") "Na(+)") -AnnotationAssertion(Annotation( "UniProt") "Na(+)") -AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Na+") -AnnotationAssertion(Annotation( "PDBeChem") "SODIUM ION") -AnnotationAssertion( "CHEBI:29101") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "sodium(1+)") -SubClassOf( ) -SubClassOf( ) -SubClassOf( ) -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (potassium(1+)) - -AnnotationAssertion( "A monoatomic monocation obtained from potassium.") -AnnotationAssertion( "+1") -AnnotationAssertion( "K") -AnnotationAssertion( "InChI=1S/K/q+1") -AnnotationAssertion( "NPYPAHLBTDXSSS-UHFFFAOYSA-N") -AnnotationAssertion( "39.09830") -AnnotationAssertion( "38.96316") -AnnotationAssertion( "[K+]") -AnnotationAssertion( "CHEBI:26219") -AnnotationAssertion( "CHEBI:49685") -AnnotationAssertion( "CHEBI:8345") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:24203-36-9") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:15203") -AnnotationAssertion( "KEGG:C00238") -AnnotationAssertion( "KEGG:D08403") -AnnotationAssertion( "PDBeChem:K") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "potassium cation") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "potassium(1+)") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "potassium(1+) ion") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "potassium(I) cation") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "IUPAC") "K(+)") -AnnotationAssertion(Annotation( "UniProt") "K(+)") -AnnotationAssertion(Annotation( "KEGG_COMPOUND") "K+") -AnnotationAssertion(Annotation( "PDBeChem") "POTASSIUM ION") -AnnotationAssertion( "CHEBI:29103") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "potassium(1+)") -SubClassOf( ) -SubClassOf( ) -SubClassOf( ) -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (sulfonic acid) - -AnnotationAssertion( "0") -AnnotationAssertion( "H2O3S") -AnnotationAssertion( "InChI=1S/H2O3S/c1-4(2)3/h4H,(H,1,2,3)") -AnnotationAssertion( "BDHFUVZGWQCTTF-UHFFFAOYSA-N") -AnnotationAssertion( "82.08008") -AnnotationAssertion( "81.97247") -AnnotationAssertion( "[H]S(O)(=O)=O") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:1404640") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "hydridohydroxidodioxidosulfur") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "sulfonic acid") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "IUPAC") "HSHO3") -AnnotationAssertion(Annotation( "ChEBI") "Sulfonsaeure") -AnnotationAssertion(Annotation( "IUPAC") "[SHO2(OH)]") -AnnotationAssertion(Annotation( "ChEBI") "acide sulfonique") -AnnotationAssertion(Annotation( "ChEBI") "sulphonic acid") -AnnotationAssertion( "CHEBI:29214") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "sulfonic acid") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) # Class: (hydrogen fluoride) @@ -5621,62 +1441,8 @@ AnnotationAssertion(Annotation( "CHEBI:29228") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "hydrogen fluoride") -SubClassOf( ) -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (deuteron) - -AnnotationAssertion( "Nucleus of the (2)H atom.") -AnnotationAssertion( "+1") -AnnotationAssertion( "D") -AnnotationAssertion( "InChI=1S/p+1/i/hD") -AnnotationAssertion( "GPRLSGONYQIRFK-DYCDLGHISA-N") -AnnotationAssertion( "2.014") -AnnotationAssertion( "2.01355") -AnnotationAssertion( "[2H+]") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:12597-73-8") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:14464-47-2") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:12590") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "deuterium(1+)") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "deuteron") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "IUPAC") "(2)1H(+)") -AnnotationAssertion(Annotation( "IUPAC") "(2)H(+)") -AnnotationAssertion(Annotation( "IUPAC") "D(+)") -AnnotationAssertion(Annotation( "IUPAC") "d") -AnnotationAssertion(Annotation( "IUPAC") "d(+)") -AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "deuterium cation") -AnnotationAssertion( "CHEBI:29233") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "deuteron") -SubClassOf( ) - -# Class: (triton) - -AnnotationAssertion( "Nucleus of the (3)H atom.") -AnnotationAssertion( "+1") -AnnotationAssertion( "T") -AnnotationAssertion( "InChI=1S/p+1/i/hT") -AnnotationAssertion( "GPRLSGONYQIRFK-MNYXATJNSA-N") -AnnotationAssertion( "3.016") -AnnotationAssertion( "3.01550") -AnnotationAssertion( "[3H+]") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:90855") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "tritium(1+)") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "triton") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "IUPAC") "(3)1H(+)") -AnnotationAssertion(Annotation( "IUPAC") "(3)H(+)") -AnnotationAssertion(Annotation( "IUPAC") "T(+)") -AnnotationAssertion(Annotation( "IUPAC") "t") -AnnotationAssertion(Annotation( "IUPAC") "t(+)") -AnnotationAssertion( "CHEBI:29234") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "triton") -SubClassOf( ) +SubClassOf( ) +SubClassOf( ) # Class: (protium atom) @@ -5698,8 +1464,8 @@ AnnotationAssertion(Annotation( "CHEBI:29236") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "protium atom") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) +SubClassOf( ) +SubClassOf( ) # Class: (deuterium atom) @@ -5726,8 +1492,8 @@ AnnotationAssertion(Annotation( "CHEBI:29237") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "deuterium atom") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) +SubClassOf( ) +SubClassOf( ) # Class: (tritium atom) @@ -5751,255 +1517,8 @@ AnnotationAssertion(Annotation( "CHEBI:29238") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "tritium atom") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (azanide) - -AnnotationAssertion( "-1") -AnnotationAssertion( "H2N") -AnnotationAssertion( "InChI=1S/H2N/h1H2/q-1") -AnnotationAssertion( "HYGWNUKOUCZBND-UHFFFAOYSA-N") -AnnotationAssertion( "16.02262") -AnnotationAssertion( "16.01927") -AnnotationAssertion( "[H][N-][H]") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "amide") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "azanide") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "dihydridonitrate(1-)") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "IUPAC") "NH2(-)") -AnnotationAssertion( "CHEBI:29337") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "azanide") -SubClassOf( ) -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (hydridonitrate(2-)) - -AnnotationAssertion( "A divalent inorganic anion resulting from the removal of two protons from ammonia.") -AnnotationAssertion( "-2") -AnnotationAssertion( "HN") -AnnotationAssertion( "InChI=1S/HN/h1H/q-2") -AnnotationAssertion( "DZQYTNGKSBCIOE-UHFFFAOYSA-N") -AnnotationAssertion( "15.01468") -AnnotationAssertion( "15.01200") -AnnotationAssertion( "[N--][H]") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "azanediide") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "hydridonitrate(2-)") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "IUPAC") "NH(2-)") -AnnotationAssertion(Annotation( "IUPAC") "imide") -AnnotationAssertion( "CHEBI:29340") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "hydridonitrate(2-)") -SubClassOf( ) -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (methanediide) - -AnnotationAssertion( "-2") -AnnotationAssertion( "CH2") -AnnotationAssertion( "InChI=1S/CH2/h1H2/q-2") -AnnotationAssertion( "PZPOWPOFQLSNJO-UHFFFAOYSA-N") -AnnotationAssertion( "14.02658") -AnnotationAssertion( "14.01675") -AnnotationAssertion( "[H][C--][H]") -AnnotationAssertion(Annotation( "Beilstein") "Beilstein:5915711") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:322698") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "dihydridocarbonate(2-)") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "methanediide") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "IUPAC") "CH2(2-)") -AnnotationAssertion(Annotation( "ChEBI") "[CH2](2-)") -AnnotationAssertion( "CHEBI:29360") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "methanediide") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (oxonium) - -AnnotationAssertion( "+1") -AnnotationAssertion( "H3O") -AnnotationAssertion( "InChI=1S/H2O/h1H2/p+1") -AnnotationAssertion( "XLYOFNOQVPJJNP-UHFFFAOYSA-O") -AnnotationAssertion( "19.02322") -AnnotationAssertion( "19.01784") -AnnotationAssertion( "[H][O+]([H])[H]") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:13968-08-6") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:13968-08-6") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:141") -AnnotationAssertion( "MolBase:1646") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "aquahydrogen(1+)") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "oxidanium") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "oxonium") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "trihydridooxygen(1+)") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "IUPAC") "H3O(+)") -AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "Hydronium cation") -AnnotationAssertion(Annotation( "ChemIDplus") "Hydronium ion") -AnnotationAssertion(Annotation( "MolBase") "[OH3](+)") -AnnotationAssertion( "CHEBI:29412") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "oxonium") -SubClassOf( ) -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (methanide) - -AnnotationAssertion( "-1") -AnnotationAssertion( "CH3") -AnnotationAssertion( "InChI=1S/CH3/h1H3/q-1") -AnnotationAssertion( "LGRLWUINFJPLSH-UHFFFAOYSA-N") -AnnotationAssertion( "15.03452") -AnnotationAssertion( "15.02402") -AnnotationAssertion( "[H][C-]([H])[H]") -AnnotationAssertion(Annotation( "Beilstein") "Beilstein:1813938") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:15194-58-8") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:259263") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "methanide") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "trihydridocarbonate(1-)") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "IUPAC") "CH3(-)") -AnnotationAssertion(Annotation( "ChEBI") "[CH3](-)") -AnnotationAssertion(Annotation( "IUPAC") "lambda(2)-methanuide") -AnnotationAssertion(Annotation( "IUPAC") "methyl anion") -AnnotationAssertion( "CHEBI:29438") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "methanide") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (nitro group) - -AnnotationAssertion( "0") -AnnotationAssertion( "NO2") -AnnotationAssertion( "46.00550") -AnnotationAssertion( "45.99290") -AnnotationAssertion( "*[N+](=O)[O-]") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "nitro") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "IUPAC") "-NO2") -AnnotationAssertion( "CHEBI:29785") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "nitro group") -SubClassOf( ) -SubClassOf( ) - -# Class: (sulfo group) - -AnnotationAssertion( "0") -AnnotationAssertion( "HO3S") -AnnotationAssertion( "81.07214") -AnnotationAssertion( "80.96464") -AnnotationAssertion( "S(=O)(O)(*)=O") -AnnotationAssertion( "PDBeChem:SFO") -AnnotationAssertion(Annotation( "PDBeChem") "SULFO GROUP") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "hydroxydioxo-lambda(6)-sulfanyl") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "hydroxysulfonyl") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "sulfo") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "IUPAC") "-S(O)2(OH)") -AnnotationAssertion( "CHEBI:29922") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "sulfo group") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (acetate) - -AnnotationAssertion( "A monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of acetic acid.") -AnnotationAssertion( "-1") -AnnotationAssertion( "C2H3O2") -AnnotationAssertion( "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1") -AnnotationAssertion( "QTBSBXVTEAMEQO-UHFFFAOYSA-M") -AnnotationAssertion( "59.04402") -AnnotationAssertion( "59.01385") -AnnotationAssertion( "CC([O-])=O") -AnnotationAssertion( "CHEBI:13704") -AnnotationAssertion( "CHEBI:22165") -AnnotationAssertion( "CHEBI:40480") -AnnotationAssertion(Annotation( "Beilstein") "Beilstein:1901470") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:71-50-1") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:71-50-1") -AnnotationAssertion( "DrugBank:DB03166") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:1379") -AnnotationAssertion( "KEGG:C00033") -AnnotationAssertion( "MetaCyc:ACET") -AnnotationAssertion( "PDBeChem:ACT") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:17190852") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:22211106") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:22371380") -AnnotationAssertion(Annotation( "Reaxys") "Reaxys:1901470") -AnnotationAssertion(Annotation( "UM-BBD") "UM-BBD_compID:c0050") -AnnotationAssertion( "Wikipedia:Acetate") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "acetate") -AnnotationAssertion(Annotation( "UniProt") "acetate") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "PDBeChem") "ACETATE ION") -AnnotationAssertion(Annotation( "ChEBI") "Azetat") -AnnotationAssertion(Annotation( "IUPAC") "CH3-COO(-)") -AnnotationAssertion(Annotation( "ChEBI") "Ethanoat") -AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "MeCO2 anion") -AnnotationAssertion(Annotation( "ChemIDplus") "acetic acid, ion(1-)") -AnnotationAssertion(Annotation( "ChEBI") "ethanoate") -AnnotationAssertion( "CHEBI:30089") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "acetate") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (hexachloroplatinate(2-)) - -AnnotationAssertion( "-2") -AnnotationAssertion( "Cl6Pt") -AnnotationAssertion( "InChI=1S/6ClH.Pt/h6*1H;/q;;;;;;+4/p-6") -AnnotationAssertion( "GBFHNZZOZWQQPA-UHFFFAOYSA-H") -AnnotationAssertion( "407.79420") -AnnotationAssertion( "404.77900") -AnnotationAssertion( "Cl[Pt--](Cl)(Cl)(Cl)(Cl)Cl") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:26710") -AnnotationAssertion( "MolBase:785") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "hexachloridoplatinate(2-)") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "hexachloridoplatinate(IV)") -AnnotationAssertion(Annotation( "IUPAC") "hexachloroplatinate(2-)") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "IUPAC") "[PtCl6](2-)") -AnnotationAssertion( "CHEBI:30119") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "hexachloroplatinate(2-)") -SubClassOf( ) -SubClassOf( ) - -# Class: (lithium atom) - -AnnotationAssertion( "0") -AnnotationAssertion( "Li") -AnnotationAssertion( "InChI=1S/Li") -AnnotationAssertion( "WHXSMMKQMYFTQS-UHFFFAOYSA-N") -AnnotationAssertion( "6.94100") -AnnotationAssertion( "7.01600") -AnnotationAssertion( "[Li]") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:7439-93-2") -AnnotationAssertion( "WebElements:Li") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "lithium") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "IUPAC") "3Li") -AnnotationAssertion(Annotation( "IUPAC") "Li") -AnnotationAssertion(Annotation( "ChEBI") "Lithium") -AnnotationAssertion(Annotation( "ChEBI") "lithium") -AnnotationAssertion(Annotation( "ChEBI") "litio") -AnnotationAssertion( "CHEBI:30145") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "lithium atom") -SubClassOf( ) +SubClassOf( ) +SubClassOf( ) # Class: (tetramethyllead) @@ -6025,35 +1544,9 @@ AnnotationAssertion(Annotation( "CHEBI:30183") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "tetramethyllead") -SubClassOf( ) +SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) -# Class: (helium atom) - -AnnotationAssertion( "0") -AnnotationAssertion( "He") -AnnotationAssertion( "InChI=1S/He") -AnnotationAssertion( "SWQJXJOGLNCZEY-UHFFFAOYSA-N") -AnnotationAssertion( "4.00260") -AnnotationAssertion( "4.00260") -AnnotationAssertion( "[He]") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:7440-59-7") -AnnotationAssertion(Annotation( "DrugCentral") "Drug_Central:4262") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:16294") -AnnotationAssertion( "WebElements:He") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "helium") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "IUPAC") "2He") -AnnotationAssertion(Annotation( "IUPAC") "He") -AnnotationAssertion(Annotation( "ChEBI") "Helium") -AnnotationAssertion(Annotation( "ChEBI") "helio") -AnnotationAssertion(Annotation( "ChEBI") "helium") -AnnotationAssertion( "CHEBI:30217") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "helium atom") -SubClassOf( ) -SubClassOf( ) - # Class: (helium-3 atom) AnnotationAssertion( "The stable isotope of helium with relative atomic mass 3.016029. The least abundant (0.000137 atom percent) isotope of naturally occurring helium.") @@ -6076,29 +1569,8 @@ AnnotationAssertion(Annotation( "CHEBI:30218") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "helium-3 atom") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (helion) - -AnnotationAssertion( "Nucleus of the (3)He atom.") -AnnotationAssertion( "+2") -AnnotationAssertion( "[3He]") -AnnotationAssertion( "InChI=1S/He/q+2/i1-1") -AnnotationAssertion( "LBDSXVIYZYSRII-BJUDXGSMSA-N") -AnnotationAssertion( "3.015") -AnnotationAssertion( "3.01493") -AnnotationAssertion( "[3He++]") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "helion") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "helium-3(2+)") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "IUPAC") "(3)He(2+)") -AnnotationAssertion(Annotation( "IUPAC") "h") -AnnotationAssertion( "CHEBI:30220") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "helion") -SubClassOf( ) -SubClassOf( ) +SubClassOf( ) +SubClassOf( ) # Class: (difluorine) @@ -6120,9 +1592,8 @@ AnnotationAssertion(Annotation( "CHEBI:30236") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "difluorine") -SubClassOf( ) -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) +SubClassOf( ) +SubClassOf( ) # Class: (pentacarbonyliron) @@ -6146,47 +1617,10 @@ AnnotationAssertion(Annotation( "CHEBI:30251") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "pentacarbonyliron") -SubClassOf( ) -SubClassOf( ) +SubClassOf( ) +SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) -# Class: (antimony(0)) - -AnnotationAssertion( "0") -AnnotationAssertion( "Sb") -AnnotationAssertion( "121.760") -AnnotationAssertion( "120.90382") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:7440-36-0") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:16305") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "antimony") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "antimony(0)") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChemIDplus") "Antimony, metallic") -AnnotationAssertion(Annotation( "ChEBI") "Sb(0)") -AnnotationAssertion(Annotation( "IUPAC") "Sbn") -AnnotationAssertion(Annotation( "ChemIDplus") "Stibium metallicum") -AnnotationAssertion( "CHEBI:30304") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "antimony(0)") -SubClassOf( ) - -# Class: (monoatomic dication) - -AnnotationAssertion( "+2") -AnnotationAssertion( "0.00000") -AnnotationAssertion( "[*++]") -AnnotationAssertion( "CHEBI:23856") -AnnotationAssertion( "CHEBI:4665") -AnnotationAssertion( "KEGG:C00572") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Divalent cation") -AnnotationAssertion(Annotation( "ChEBI") "divalent inorganic cations") -AnnotationAssertion(Annotation( "ChEBI") "monoatomic dications") -AnnotationAssertion( "CHEBI:30412") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "monoatomic dication") -SubClassOf( ) - # Class: (tetramethyltin) AnnotationAssertion( "An organotin compound carrying four methyl groups.") @@ -6197,7 +1631,6 @@ AnnotationAssertion( "178.84808") AnnotationAssertion( "179.99610") AnnotationAssertion( "C[Sn](C)(C)C") -AnnotationAssertion(Annotation( "Beilstein") "Beilstein:3647887") AnnotationAssertion(Annotation( "ChemIDplus") "CAS:594-27-4") AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:594-27-4") AnnotationAssertion(Annotation( "Gmelin") "Gmelin:1938") @@ -6216,85 +1649,9 @@ AnnotationAssertion(Annotation( "CHEBI:30420") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "tetramethyltin") -SubClassOf( ) +SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) -# Class: (thallium) - -AnnotationAssertion( "A metallic element first identified and named from the brilliant green line in its flame spectrum (from Greek thetaalphalambdalambdaomicronsigma, a green shoot).") -AnnotationAssertion( "0") -AnnotationAssertion( "Tl") -AnnotationAssertion( "InChI=1S/Tl") -AnnotationAssertion( "BKVIYDNLLOSFOA-UHFFFAOYSA-N") -AnnotationAssertion( "204.38330") -AnnotationAssertion( "204.97443") -AnnotationAssertion( "[Tl]") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:7440-28-0") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:7440-28-0") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:16308") -AnnotationAssertion( "WebElements:Tl") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "thallium") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "IUPAC") "81Tl") -AnnotationAssertion(Annotation( "IUPAC") "Tl") -AnnotationAssertion(Annotation( "ChEBI") "talio") -AnnotationAssertion( "CHEBI:30440") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "thallium") -SubClassOf( ) - -# Class: (germanium atom) - -AnnotationAssertion( "0") -AnnotationAssertion( "Ge") -AnnotationAssertion( "InChI=1S/Ge") -AnnotationAssertion( "GNPVGFCGXDBREM-UHFFFAOYSA-N") -AnnotationAssertion( "72.61000") -AnnotationAssertion( "73.92118") -AnnotationAssertion( "[Ge]") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:7440-56-4") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:7440-56-4") -AnnotationAssertion( "WebElements:Ge") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "germanium") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "IUPAC") "32Ge") -AnnotationAssertion(Annotation( "IUPAC") "Ge") -AnnotationAssertion(Annotation( "ChEBI") "germanio") -AnnotationAssertion(Annotation( "ChEBI") "germanium") -AnnotationAssertion( "CHEBI:30441") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "germanium atom") -SubClassOf( ) -SubClassOf( ) -SubClassOf( ) - -# Class: (tellurium atom) - -AnnotationAssertion( "0") -AnnotationAssertion( "Te") -AnnotationAssertion( "InChI=1S/Te") -AnnotationAssertion( "PORWMNRCUJJQNO-UHFFFAOYSA-N") -AnnotationAssertion( "127.60000") -AnnotationAssertion( "129.90622") -AnnotationAssertion( "[Te]") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:13494-80-9") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:13494-80-9") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:16309") -AnnotationAssertion( "WebElements:Te") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "tellurium") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "IUPAC") "52Te") -AnnotationAssertion(Annotation( "IUPAC") "Te") -AnnotationAssertion(Annotation( "ChEBI") "Tellur") -AnnotationAssertion(Annotation( "ChEBI") "tellure") -AnnotationAssertion(Annotation( "ChEBI") "tellurium") -AnnotationAssertion(Annotation( "ChEBI") "teluro") -AnnotationAssertion( "CHEBI:30452") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "tellurium atom") -SubClassOf( ) -SubClassOf( ) - # Class: (sulfur hexafluoride) AnnotationAssertion( "A sulfur coordination entity consisting of six fluorine atoms attached to a central sulfur atom. It is the most potent greenhouse gas currently known, with a global warming potential of 23,900 times that of CO2 over a 100 year period (SF6 has an estimated lifetime in the atmosphere of between 800 and 3,000 years).") @@ -6329,139 +1686,7 @@ AnnotationAssertion(Annotation( "CHEBI:30496") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "sulfur hexafluoride") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (silver atom) - -AnnotationAssertion( "0") -AnnotationAssertion( "Ag") -AnnotationAssertion( "InChI=1S/Ag") -AnnotationAssertion( "BQCADISMDOOEFD-UHFFFAOYSA-N") -AnnotationAssertion( "107.86820") -AnnotationAssertion( "106.90509") -AnnotationAssertion( "[Ag]") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:7440-22-4") -AnnotationAssertion( "WebElements:Ag") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "silver") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "IUPAC") "47Ag") -AnnotationAssertion(Annotation( "IUPAC") "Ag") -AnnotationAssertion(Annotation( "ChemIDplus") "Silber") -AnnotationAssertion(Annotation( "ChEBI") "argent") -AnnotationAssertion(Annotation( "IUPAC") "argentum") -AnnotationAssertion(Annotation( "ChEBI") "plata") -AnnotationAssertion(Annotation( "ChEBI") "silver") -AnnotationAssertion( "CHEBI:30512") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "silver atom") -SubClassOf( ) - -# Class: (antimony atom) - -AnnotationAssertion( "0") -AnnotationAssertion( "Sb") -AnnotationAssertion( "InChI=1S/Sb") -AnnotationAssertion( "WATWJIUSRGPENY-UHFFFAOYSA-N") -AnnotationAssertion( "121.76000") -AnnotationAssertion( "120.90381") -AnnotationAssertion( "[Sb]") -AnnotationAssertion( "WebElements:Sb") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "antimony") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "IUPAC") "51Sb") -AnnotationAssertion(Annotation( "ChEBI") "Antimon") -AnnotationAssertion(Annotation( "IUPAC") "Sb") -AnnotationAssertion(Annotation( "ChEBI") "antimoine") -AnnotationAssertion(Annotation( "ChEBI") "antimonio") -AnnotationAssertion(Annotation( "ChEBI") "antimony") -AnnotationAssertion(Annotation( "IUPAC") "stibium") -AnnotationAssertion( "CHEBI:30513") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "antimony atom") -SubClassOf( ) -SubClassOf( ) - -# Class: (osmium atom) - -AnnotationAssertion( "0") -AnnotationAssertion( "Os") -AnnotationAssertion( "InChI=1S/Os") -AnnotationAssertion( "SYQBFIAQOQZEGI-UHFFFAOYSA-N") -AnnotationAssertion( "190.23000") -AnnotationAssertion( "191.96148") -AnnotationAssertion( "[Os]") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:7440-04-2") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:7440-04-2") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:16234") -AnnotationAssertion( "WebElements:Os") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "osmium") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "IUPAC") "76Os") -AnnotationAssertion(Annotation( "IUPAC") "Os") -AnnotationAssertion(Annotation( "ChEBI") "osmio") -AnnotationAssertion(Annotation( "ChEBI") "osmium") -AnnotationAssertion( "CHEBI:30687") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "osmium atom") -SubClassOf( ) -SubClassOf( ) - -# Class: (propionic acid) - -AnnotationAssertion( "A short-chain saturated fatty acid comprising ethane attached to the carbon of a carboxy group.") -AnnotationAssertion( "0") -AnnotationAssertion( "C3H6O2") -AnnotationAssertion( "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)") -AnnotationAssertion( "XBDQKXXYIPTUBI-UHFFFAOYSA-N") -AnnotationAssertion( "74.07850") -AnnotationAssertion( "74.03678") -AnnotationAssertion( "CCC(O)=O") -AnnotationAssertion( "CHEBI:26304") -AnnotationAssertion( "CHEBI:45227") -AnnotationAssertion( "CHEBI:8476") -AnnotationAssertion(Annotation( "Beilstein") "Beilstein:506071") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:79-09-4") -AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:79-09-4") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:79-09-4") -AnnotationAssertion( "DrugBank:DB03766") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:1821") -AnnotationAssertion( "KEGG:C00163") -AnnotationAssertion( "KEGG:D02310") -AnnotationAssertion(Annotation( "LIPID MAPS") "LIPID_MAPS_instance:LMFA01010003") -AnnotationAssertion( "PDBeChem:PPI") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:15868474") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:1628870") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:16763906") -AnnotationAssertion( "PPDB:1341") -AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Propionic acid") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "propanoic acid") -AnnotationAssertion(Annotation( "IUPAC") "propionic acid") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "IUPAC") "CH3-CH2-COOH") -AnnotationAssertion(Annotation( "ChEBI") "PA") -AnnotationAssertion(Annotation( "PDBeChem") "PROPANOIC ACID") -AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Propanoic acid") -AnnotationAssertion(Annotation( "ChEBI") "Propionsaeure") -AnnotationAssertion(Annotation( "ChEBI") "acide propanoique") -AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "acide propionique") -AnnotationAssertion(Annotation( "ChemIDplus") "carboxyethane") -AnnotationAssertion(Annotation( "ChemIDplus") "ethanecarboxylic acid") -AnnotationAssertion(Annotation( "ChemIDplus") "ethylformic acid") -AnnotationAssertion(Annotation( "ChemIDplus") "metacetonic acid") -AnnotationAssertion(Annotation( "ChemIDplus") "methylacetic acid") -AnnotationAssertion(Annotation( "LIPID_MAPS") "propioic acid") -AnnotationAssertion(Annotation( "ChEBI") "propoic acid") -AnnotationAssertion(Annotation( "ChemIDplus") "pseudoacetic acid") -AnnotationAssertion( "CHEBI:30768") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "propionic acid") -SubClassOf( ) -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) +SubClassOf( ) # Class: (dimethylmercury) @@ -6484,30 +1709,10 @@ AnnotationAssertion(Annotation( "CHEBI:30786") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "dimethylmercury") -SubClassOf( ) +SubClassOf( ) +SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) -# Class: (alcohol) - -AnnotationAssertion( "A compound in which a hydroxy group, -OH, is attached to a saturated carbon atom.") -AnnotationAssertion( "0") -AnnotationAssertion( "HOR") -AnnotationAssertion( "17.007") -AnnotationAssertion( "17.00274") -AnnotationAssertion( "O[*]") -AnnotationAssertion( "CHEBI:13804") -AnnotationAssertion( "CHEBI:22288") -AnnotationAssertion( "CHEBI:2553") -AnnotationAssertion( "KEGG:C00069") -AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Alcohol") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "alcohols") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "UniProt") "an alcohol") -AnnotationAssertion( "CHEBI:30879") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "alcohol") -SubClassOf( ) - # Class: (silver(1+) nitrate) AnnotationAssertion( "0") @@ -6531,50 +1736,10 @@ AnnotationAssertion(Annotation( "CHEBI:32130") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "silver(1+) nitrate") -SubClassOf( ) -SubClassOf( ) +SubClassOf( ) +SubClassOf( ) +SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (secondary amine) - -AnnotationAssertion( "A compound formally derived from ammonia by replacing two hydrogen atoms by hydrocarbyl groups.") -AnnotationAssertion( "0") -AnnotationAssertion( "HNR2") -AnnotationAssertion( "15.01460") -AnnotationAssertion( "15.01090") -AnnotationAssertion( "[H]N([*])[*]") -AnnotationAssertion( "CHEBI:26618") -AnnotationAssertion( "CHEBI:9078") -AnnotationAssertion( "KEGG:C02324") -AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Secondary amine") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "secondary amines") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "IUPAC") "R2NH") -AnnotationAssertion(Annotation( "ChEBI") "sekundaeres Amin") -AnnotationAssertion( "CHEBI:32863") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "secondary amine") -SubClassOf( ) -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (amine) - -AnnotationAssertion( "A compound formally derived from ammonia by replacing one, two or three hydrogen atoms by hydrocarbyl groups.") -AnnotationAssertion( "CHEBI:13814") -AnnotationAssertion( "CHEBI:22474") -AnnotationAssertion( "CHEBI:2641") -AnnotationAssertion( "KEGG:C00706") -AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Amine") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "amines") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "Amin") -AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Substituted amine") -AnnotationAssertion( "CHEBI:32952") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "amine") -SubClassOf( ) # Class: (sodium acetate) @@ -6598,23 +1763,8 @@ AnnotationAssertion(Annotation( "CHEBI:32954") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "sodium acetate") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (amide) - -AnnotationAssertion( "An amide is a derivative of an oxoacid RkE(=O)l(OH)m (l =/= 0) in which an acidic hydroxy group has been replaced by an amino or substituted amino group.") -AnnotationAssertion( "CHEBI:22473") -AnnotationAssertion( "CHEBI:2633") -AnnotationAssertion( "KEGG:C00241") -AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Amide") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "amides") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion( "CHEBI:32988") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "amide") -SubClassOf( ) +SubClassOf( ) +SubClassOf( ) # Class: (boron trifluoride) @@ -6640,8 +1790,7 @@ AnnotationAssertion(Annotation( "CHEBI:33093") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "boron trifluoride") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) +SubClassOf( ) # Class: (application) @@ -6650,124 +1799,6 @@ AnnotationAssertion( "CHEBI:33232") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "application") -SubClassOf( ) - -# Class: (fundamental particle) - -AnnotationAssertion( "A particle not known to have substructure.") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "elementary particle") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "elementary particles") -AnnotationAssertion( "CHEBI:33233") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "fundamental particle") -SubClassOf( ) - -# Class: (monoatomic entity) - -AnnotationAssertion( "A monoatomic entity is a molecular entity consisting of a single atom.") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "atomic entity") -AnnotationAssertion(Annotation( "ChEBI") "monoatomic entities") -AnnotationAssertion( "CHEBI:33238") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "monoatomic entity") -SubClassOf( ) - -# Class: (coordination entity) - -AnnotationAssertion( "An assembly consisting of a central atom (usually metallic) to which is attached a surrounding array of other groups of atoms (ligands).") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "coordination entities") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "coordination entity") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "coordination compounds") -AnnotationAssertion( "CHEBI:33240") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "coordination entity") -SubClassOf( ) - -# Class: (oxoacid derivative) - -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "oxoacid derivatives") -AnnotationAssertion( "CHEBI:33241") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "oxoacid derivative") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (inorganic hydride) - -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "inorganic hydrides") -AnnotationAssertion( "CHEBI:33242") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "inorganic hydride") -SubClassOf( ) -SubClassOf( ) - -# Class: (organic fundamental parent) - -AnnotationAssertion( "An organic fundamental parent is a structure used as a basis for substitutive names in organic nomenclature, containing, in addition to one or more hydrogen atoms, a single atom of an element, a number of atoms (alike or different) linked together to form an unbranched chain, a monocyclic or polycyclic ring system, or a ring assembly or ring/chain system.") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "organic fundamental parents") -AnnotationAssertion(Annotation( "ChEBI") "organic parent hydrides") -AnnotationAssertion( "CHEBI:33245") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "organic fundamental parent") -SubClassOf( ) -SubClassOf( ) - -# Class: (inorganic group) - -AnnotationAssertion( "Any substituent group which does not contain carbon.") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "inorganic groups") -AnnotationAssertion( "CHEBI:33246") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "inorganic group") -SubClassOf( ) - -# Class: (organic group) - -AnnotationAssertion( "Any substituent group or skeleton containing carbon.") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "organic groups") -AnnotationAssertion( "CHEBI:33247") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "organic group") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (hydrocarbyl group) - -AnnotationAssertion( "A univalent group formed by removing a hydrogen atom from a hydrocarbon.") -AnnotationAssertion(Annotation( "IUPAC") "hydrocarbyl group") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "hydrocarbyl groups") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "IUPAC") "groupe hydrocarbyle") -AnnotationAssertion(Annotation( "IUPAC") "grupo hidrocarbilo") -AnnotationAssertion(Annotation( "IUPAC") "grupos hidrocarbilo") -AnnotationAssertion( "CHEBI:33248") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "hydrocarbyl group") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (organyl group) - -AnnotationAssertion( "Any organic substituent group, regardless of functional type, having one free valence at a carbon atom.") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "organyl group") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "organyl groups") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "IUPAC") "groupe organyle") -AnnotationAssertion(Annotation( "IUPAC") "grupo organilo") -AnnotationAssertion(Annotation( "IUPAC") "grupos organilo") -AnnotationAssertion( "CHEBI:33249") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "organyl group") -SubClassOf( ) # Class: (atom) @@ -6785,27 +1816,8 @@ AnnotationAssertion(Annotation( "CHEBI:33250") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "atom") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) -# Class: (monoatomic hydrogen) - -AnnotationAssertion( "0") -AnnotationAssertion( "H") -AnnotationAssertion( "InChI=1S/H") -AnnotationAssertion( "YZCKVEUIGOORGS-UHFFFAOYSA-N") -AnnotationAssertion( "1.00794") -AnnotationAssertion( "1.00783") -AnnotationAssertion( "[H]") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "atomic hydrogen") -AnnotationAssertion( "CHEBI:33251") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "monoatomic hydrogen") -SubClassOf( ) -SubClassOf( ) - # Class: (atomic nucleus) AnnotationAssertion( "A nucleus is the positively charged central portion of an atom, excluding the orbital electrons.") @@ -6822,54 +1834,6 @@ AnnotationAssertion(Annotation( "CHEBI:33252") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "atomic nucleus") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (nucleon) - -AnnotationAssertion( "Heavy nuclear particle: proton or neutron.") -AnnotationAssertion(Annotation( "IUPAC") "nucleon") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "nucleon") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "Nukleon") -AnnotationAssertion(Annotation( "ChEBI") "Nukleonen") -AnnotationAssertion(Annotation( "ChEBI") "nucleons") -AnnotationAssertion( "CHEBI:33253") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "nucleon") -SubClassOf( ) -SubClassOf( ) - -# Class: (alkylmercury compound) - -AnnotationAssertion( "0") -AnnotationAssertion( "HgR") -AnnotationAssertion( "200.599") -AnnotationAssertion( "201.97064") -AnnotationAssertion( "CHEBI:22336") -AnnotationAssertion( "CHEBI:2589") -AnnotationAssertion( "KEGG:C01343") -AnnotationAssertion( "KEGG:C01886") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Alkylmercury") -AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Alkylmercury ion") -AnnotationAssertion(Annotation( "KEGG_COMPOUND") "RHg+") -AnnotationAssertion(Annotation( "ChEBI") "alkylmercury compounds") -AnnotationAssertion( "CHEBI:33255") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "alkylmercury compound") -SubClassOf( ) - -# Class: (primary amide) - -AnnotationAssertion( "A derivative of an oxoacid RkE(=O)l(OH)m (l =/= 0) in which an acidic hydroxy group has been replaced by an amino or substituted amino group.") -AnnotationAssertion(Annotation( "IUPAC") "primary amide") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "primary amides") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion( "CHEBI:33256") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "primary amide") -SubClassOf( ) # Class: (elemental molecular entity) @@ -6883,671 +1847,6 @@ AnnotationAssertion( "elemental molecular entity") SubClassOf( ) -# Class: (elemental hydrogen) - -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion( "CHEBI:33260") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "elemental hydrogen") -SubClassOf( ) -SubClassOf( ) -SubClassOf( ) - -# Class: (organosulfur compound) - -AnnotationAssertion( "An organosulfur compound is a compound containing at least one carbon-sulfur bond.") -AnnotationAssertion( "CHEBI:23010") -AnnotationAssertion( "CHEBI:25714") -AnnotationAssertion( "Wikipedia:Organosulfur_compounds") -AnnotationAssertion(Annotation( "ChEBI") "organosulfur compound") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "organosulfur compounds") -AnnotationAssertion( "CHEBI:33261") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "organosulfur compound") -SubClassOf( ) -SubClassOf( ) - -# Class: (polyatomic anion) - -AnnotationAssertion( "An anion consisting of more than one atom.") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "polyatomic anions") -AnnotationAssertion( "CHEBI:33273") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "polyatomic anion") -SubClassOf( ) -SubClassOf( ) - -# Class: (antimicrobial agent) - -AnnotationAssertion( "A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.") -AnnotationAssertion( "CHEBI:22582") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:12964249") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:22117953") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:22439833") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:22849268") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:22849276") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:22958833") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "Antibiotika") -AnnotationAssertion(Annotation( "ChEBI") "Antibiotikum") -AnnotationAssertion(Annotation( "ChEBI") "antibiotic") -AnnotationAssertion(Annotation( "ChEBI") "antibiotics") -AnnotationAssertion(Annotation( "IUPAC") "antibiotique") -AnnotationAssertion(Annotation( "ChEBI") "antimicrobial") -AnnotationAssertion(Annotation( "ChEBI") "antimicrobial agents") -AnnotationAssertion(Annotation( "ChEBI") "antimicrobials") -AnnotationAssertion(Annotation( "ChEBI") "microbicide") -AnnotationAssertion(Annotation( "ChEBI") "microbicides") -AnnotationAssertion( "CHEBI:33281") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "antimicrobial agent") -SubClassOf( ) - -# Class: (nutrient) - -AnnotationAssertion( "A nutrient is a food component that an organism uses to survive and grow.") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "nutrients") -AnnotationAssertion( "CHEBI:33284") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "nutrient") -SubClassOf( ) - -# Class: (heteroorganic entity) - -AnnotationAssertion( "A heteroorganic entity is an organic molecular entity in which carbon atoms or organic groups are bonded directly to one or more heteroatoms.") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "heteroorganic entities") -AnnotationAssertion(Annotation( "ChEBI") "organoelement compounds") -AnnotationAssertion( "CHEBI:33285") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "heteroorganic entity") -SubClassOf( ) - -# Class: (agrochemical) - -AnnotationAssertion( "An agrochemical is a substance that is used in agriculture or horticulture.") -AnnotationAssertion( "Wikipedia:Agrochemical") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "agrichemical") -AnnotationAssertion(Annotation( "ChEBI") "agrichemicals") -AnnotationAssertion(Annotation( "ChEBI") "agricultural chemicals") -AnnotationAssertion(Annotation( "ChEBI") "agrochemicals") -AnnotationAssertion( "CHEBI:33286") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "agrochemical") -SubClassOf( ) - -# Class: (fertilizer) - -AnnotationAssertion( "A fertilizer is any substance that is added to soil or water to assist the growth of plants.") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "fertiliser") -AnnotationAssertion(Annotation( "ChEBI") "fertilizers") -AnnotationAssertion( "CHEBI:33287") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "fertilizer") -SubClassOf( ) - -# Class: (fuel) - -AnnotationAssertion( "An energy-rich substance that can be transformed with release of usable energy.") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion( "CHEBI:33292") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "fuel") -SubClassOf( ) - -# Class: (diagnostic agent) - -AnnotationAssertion( "A substance administered to aid diagnosis of a disease.") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "diagnostic aid") -AnnotationAssertion( "CHEBI:33295") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "diagnostic agent") -SubClassOf( ) - -# Class: (alkali metal molecular entity) - -AnnotationAssertion( "A molecular entity containing one or more atoms of an alkali metal.") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "alkali metal molecular entities") -AnnotationAssertion( "CHEBI:33296") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "alkali metal molecular entity") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (pnictogen) - -AnnotationAssertion( "Any p-block element atom that is in group 15 of the periodic table: nitrogen, phosphorus, arsenic, antimony and bismuth.") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "pnictogens") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "group 15 elements") -AnnotationAssertion(Annotation( "ChEBI") "group V elements") -AnnotationAssertion(Annotation( "ChEBI") "nitrogenoideos") -AnnotationAssertion(Annotation( "ChEBI") "nitrogenoides") -AnnotationAssertion(Annotation( "ChEBI") "pnictogene") -AnnotationAssertion(Annotation( "ChEBI") "pnictogenes") -AnnotationAssertion( "CHEBI:33300") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "pnictogen") -SubClassOf( ) - -# Class: (pnictogen molecular entity) - -AnnotationAssertion( "A p-block molecular entity containing any pnictogen.") -AnnotationAssertion(Annotation( "ChEBI") "pnictogen molecular entity") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "pnictogen molecular entities") -AnnotationAssertion( "CHEBI:33302") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "pnictogen molecular entity") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (chalcogen) - -AnnotationAssertion( "Any p-block element belonging to the group 16 family of the periodic table.") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:17084588") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "chalcogen") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "chalcogens") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "Chalkogen") -AnnotationAssertion(Annotation( "ChEBI") "Chalkogene") -AnnotationAssertion(Annotation( "ChEBI") "anfigeno") -AnnotationAssertion(Annotation( "ChEBI") "anfigenos") -AnnotationAssertion(Annotation( "ChEBI") "calcogeno") -AnnotationAssertion(Annotation( "ChEBI") "calcogenos") -AnnotationAssertion(Annotation( "ChEBI") "chalcogene") -AnnotationAssertion(Annotation( "ChEBI") "chalcogenes") -AnnotationAssertion(Annotation( "ChEBI") "group 16 elements") -AnnotationAssertion(Annotation( "ChEBI") "group VI elements") -AnnotationAssertion( "CHEBI:33303") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "chalcogen") -SubClassOf( ) - -# Class: (chalcogen molecular entity) - -AnnotationAssertion( "Any p-block molecular entity containing a chalcogen.") -AnnotationAssertion(Annotation( "ChEBI") "chalcogen molecular entity") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "chalcogen compounds") -AnnotationAssertion(Annotation( "ChEBI") "chalcogen molecular entities") -AnnotationAssertion( "CHEBI:33304") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "chalcogen molecular entity") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (tellurium molecular entity) - -AnnotationAssertion(Annotation( "ChEBI") "tellurium molecular entity") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "tellurium compounds") -AnnotationAssertion(Annotation( "ChEBI") "tellurium molecular entities") -AnnotationAssertion( "CHEBI:33305") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "tellurium molecular entity") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (carbon group element atom) - -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "group 14 elements") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "carbon group element") -AnnotationAssertion(Annotation( "ChEBI") "carbon group elements") -AnnotationAssertion(Annotation( "ChEBI") "carbonoides") -AnnotationAssertion(Annotation( "ChEBI") "cristallogene") -AnnotationAssertion(Annotation( "ChEBI") "cristallogenes") -AnnotationAssertion(Annotation( "ChEBI") "group IV elements") -AnnotationAssertion( "CHEBI:33306") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "carbon group element atom") -SubClassOf( ) - -# Class: (noble gas atom) - -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "noble gas") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "noble gases") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "Edelgas") -AnnotationAssertion(Annotation( "ChEBI") "Edelgase") -AnnotationAssertion(Annotation( "ChEBI") "gas noble") -AnnotationAssertion(Annotation( "ChEBI") "gases nobles") -AnnotationAssertion(Annotation( "ChEBI") "gaz noble") -AnnotationAssertion(Annotation( "ChEBI") "gaz nobles") -AnnotationAssertion(Annotation( "IUPAC") "group 18 elements") -AnnotationAssertion(Annotation( "ChEBI") "group VIII elements") -AnnotationAssertion(Annotation( "ChEBI") "inert gases") -AnnotationAssertion(Annotation( "ChEBI") "noble gas") -AnnotationAssertion(Annotation( "ChEBI") "rare gases") -AnnotationAssertion( "CHEBI:33309") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "noble gas atom") -SubClassOf( ) -SubClassOf( ) -SubClassOf( ) - -# Class: (monoatomic helium) - -AnnotationAssertion( "0") -AnnotationAssertion( "He") -AnnotationAssertion( "4.003") -AnnotationAssertion( "4.00260") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "elemental helium") -AnnotationAssertion( "CHEBI:33315") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "monoatomic helium") -SubClassOf( ) -SubClassOf( ) - -# Class: (helium(2+)) - -AnnotationAssertion( "+2") -AnnotationAssertion( "He") -AnnotationAssertion( "InChI=1S/He/q+2") -AnnotationAssertion( "LBDSXVIYZYSRII-UHFFFAOYSA-N") -AnnotationAssertion( "4.00260") -AnnotationAssertion( "4.00151") -AnnotationAssertion( "[He++]") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "helium(2+)") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "IUPAC") "He(2+)") -AnnotationAssertion( "CHEBI:33316") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "helium(2+)") -SubClassOf( ) -SubClassOf( ) - -# Class: (boron group element atom) - -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "group 13 elements") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "Element der Borgruppe") -AnnotationAssertion(Annotation( "ChEBI") "boron group element") -AnnotationAssertion(Annotation( "ChEBI") "boron group elements") -AnnotationAssertion(Annotation( "ChEBI") "group III elements") -AnnotationAssertion( "CHEBI:33317") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "boron group element atom") -SubClassOf( ) - -# Class: (main group element atom) - -AnnotationAssertion( "An atom belonging to one of the main groups (found in the s- and p- blocks) of the periodic table.") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "main group elements") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "Hauptgruppenelement") -AnnotationAssertion(Annotation( "ChEBI") "Hauptgruppenelemente") -AnnotationAssertion(Annotation( "ChEBI") "main group element") -AnnotationAssertion( "CHEBI:33318") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "main group element atom") -SubClassOf( ) - -# Class: (lanthanoid atom) - -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "lanthanoids") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "Lanthanoid") -AnnotationAssertion(Annotation( "ChEBI") "Lanthanoide") -AnnotationAssertion(Annotation( "ChEBI") "Lanthanoidengruppe") -AnnotationAssertion(Annotation( "ChEBI") "Lanthanoidenreiche") -AnnotationAssertion(Annotation( "ChEBI") "Ln") -AnnotationAssertion(Annotation( "ChEBI") "lanthanide") -AnnotationAssertion(Annotation( "ChEBI") "lanthanides") -AnnotationAssertion(Annotation( "ChEBI") "lanthanoid") -AnnotationAssertion( "CHEBI:33319") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "lanthanoid atom") -SubClassOf( ) - -# Class: (rare earth metal atom) - -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "rare earth metals") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "rare earth metal") -AnnotationAssertion( "CHEBI:33321") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "rare earth metal atom") -SubClassOf( ) - -# Class: (rubidium atom) - -AnnotationAssertion( "0") -AnnotationAssertion( "Rb") -AnnotationAssertion( "InChI=1S/Rb") -AnnotationAssertion( "IGLNJRXAVVLDKE-UHFFFAOYSA-N") -AnnotationAssertion( "85.46780") -AnnotationAssertion( "84.91179") -AnnotationAssertion( "[Rb]") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:7440-17-7") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:7440-17-7") -AnnotationAssertion( "DrugBank:DB06749") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:16244") -AnnotationAssertion( "WebElements:Rb") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "rubidium") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "IUPAC") "37Rb") -AnnotationAssertion(Annotation( "IUPAC") "Rb") -AnnotationAssertion(Annotation( "ChEBI") "rubidio") -AnnotationAssertion(Annotation( "ChEBI") "rubidium") -AnnotationAssertion( "CHEBI:33322") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "rubidium atom") -SubClassOf( ) - -# Class: (scandium atom) - -AnnotationAssertion( "0") -AnnotationAssertion( "Sc") -AnnotationAssertion( "InChI=1S/Sc") -AnnotationAssertion( "SIXSYDAISGFNSX-UHFFFAOYSA-N") -AnnotationAssertion( "44.95591") -AnnotationAssertion( "44.95591") -AnnotationAssertion( "[Sc]") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:7440-20-2") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:7440-20-2") -AnnotationAssertion( "WebElements:Sc") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "scandium") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "IUPAC") "21Sc") -AnnotationAssertion(Annotation( "IUPAC") "Sc") -AnnotationAssertion(Annotation( "ChEBI") "Skandium") -AnnotationAssertion(Annotation( "ChEBI") "escandio") -AnnotationAssertion(Annotation( "ChEBI") "scandium") -AnnotationAssertion( "CHEBI:33330") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "scandium atom") -SubClassOf( ) -SubClassOf( ) -SubClassOf( ) - -# Class: (yttrium atom) - -AnnotationAssertion( "0") -AnnotationAssertion( "Y") -AnnotationAssertion( "InChI=1S/Y") -AnnotationAssertion( "VWQVUPCCIRVNHF-UHFFFAOYSA-N") -AnnotationAssertion( "88.90585") -AnnotationAssertion( "88.90584") -AnnotationAssertion( "[Y]") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:7440-65-5") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:7440-65-5") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:16319") -AnnotationAssertion( "WebElements:Y") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "yttrium") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "IUPAC") "39Y") -AnnotationAssertion(Annotation( "ChEBI") "Y") -AnnotationAssertion(Annotation( "ChEBI") "ytrio") -AnnotationAssertion(Annotation( "ChEBI") "yttrium") -AnnotationAssertion( "CHEBI:33331") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "yttrium atom") -SubClassOf( ) -SubClassOf( ) -SubClassOf( ) - -# Class: (scandium group element atom) - -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "group 3 elements") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "scandium group element") -AnnotationAssertion(Annotation( "ChEBI") "scandium group elements") -AnnotationAssertion( "CHEBI:33335") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "scandium group element atom") -SubClassOf( ) - -# Class: (lanthanum atom) - -AnnotationAssertion( "0") -AnnotationAssertion( "La") -AnnotationAssertion( "InChI=1S/La") -AnnotationAssertion( "FZLIPJUXYLNCLC-UHFFFAOYSA-N") -AnnotationAssertion( "138.90550") -AnnotationAssertion( "138.90636") -AnnotationAssertion( "[La]") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:7439-91-0") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:7439-91-0") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:16203") -AnnotationAssertion( "WebElements:La") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "lanthanum") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "IUPAC") "57La") -AnnotationAssertion(Annotation( "ChEBI") "La") -AnnotationAssertion(Annotation( "ChEBI") "Lanthan") -AnnotationAssertion(Annotation( "ChEBI") "lantano") -AnnotationAssertion(Annotation( "ChEBI") "lanthane") -AnnotationAssertion(Annotation( "ChEBI") "lanthanum") -AnnotationAssertion( "CHEBI:33336") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "lanthanum atom") -SubClassOf( ) -SubClassOf( ) -SubClassOf( ) - -# Class: (zinc group element atom) - -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "group 12 elements") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "zinc group element") -AnnotationAssertion(Annotation( "ChEBI") "zinc group elements") -AnnotationAssertion( "CHEBI:33340") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "zinc group element atom") -SubClassOf( ) - -# Class: (niobium atom) - -AnnotationAssertion( "0") -AnnotationAssertion( "Nb") -AnnotationAssertion( "InChI=1S/Nb") -AnnotationAssertion( "GUCVJGMIXFAOAE-UHFFFAOYSA-N") -AnnotationAssertion( "92.90638") -AnnotationAssertion( "92.90637") -AnnotationAssertion( "[Nb]") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:7440-03-1") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:7440-03-1") -AnnotationAssertion( "WebElements:Nb") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "niobium") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "IUPAC") "41Nb") -AnnotationAssertion(Annotation( "IUPAC") "Nb") -AnnotationAssertion(Annotation( "ChEBI") "Niob") -AnnotationAssertion(Annotation( "ChEBI") "columbio") -AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "columbium") -AnnotationAssertion(Annotation( "ChEBI") "niobio") -AnnotationAssertion(Annotation( "ChEBI") "niobium") -AnnotationAssertion( "CHEBI:33344") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "niobium atom") -SubClassOf( ) - -# Class: (vanadium group element atom) - -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "group 5 elements") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "vanadium group element") -AnnotationAssertion(Annotation( "ChEBI") "vanadium group elements") -AnnotationAssertion( "CHEBI:33347") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "vanadium group element atom") -SubClassOf( ) -SubClassOf( ) - -# Class: (chromium group element atom) - -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "group 6 elements") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "chromium group element") -AnnotationAssertion(Annotation( "ChEBI") "chromium group elements") -AnnotationAssertion( "CHEBI:33350") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "chromium group element atom") -SubClassOf( ) -SubClassOf( ) - -# Class: (manganese group element atom) - -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "group 7 elements") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "manganese group element") -AnnotationAssertion(Annotation( "ChEBI") "manganese group elements") -AnnotationAssertion( "CHEBI:33352") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "manganese group element atom") -SubClassOf( ) -SubClassOf( ) - -# Class: (technetium atom) - -AnnotationAssertion( "0") -AnnotationAssertion( "Tc") -AnnotationAssertion( "InChI=1S/Tc") -AnnotationAssertion( "GKLVYJBZJHMRIY-UHFFFAOYSA-N") -AnnotationAssertion( "98.00000") -AnnotationAssertion( "97.00000") -AnnotationAssertion( "[Tc]") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:7440-26-8") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:7440-26-8") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:16310") -AnnotationAssertion( "WebElements:Tc") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "technetium") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "IUPAC") "43Tc") -AnnotationAssertion(Annotation( "IUPAC") "Tc") -AnnotationAssertion(Annotation( "ChEBI") "Technetium") -AnnotationAssertion(Annotation( "ChEBI") "technetium") -AnnotationAssertion(Annotation( "ChEBI") "tecnecio") -AnnotationAssertion( "CHEBI:33353") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "technetium atom") -SubClassOf( ) - -# Class: (iron group element atom) - -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "group 8 elements") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "iron group element") -AnnotationAssertion(Annotation( "ChEBI") "iron group elements") -AnnotationAssertion( "CHEBI:33356") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "iron group element atom") -SubClassOf( ) -SubClassOf( ) - -# Class: (cobalt group element atom) - -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "group 9 elements") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "cobalt group element") -AnnotationAssertion(Annotation( "ChEBI") "cobalt group elements") -AnnotationAssertion( "CHEBI:33358") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "cobalt group element atom") -SubClassOf( ) -SubClassOf( ) - -# Class: (rhodium atom) - -AnnotationAssertion( "A cobalt group element atom of atomic number 45.") -AnnotationAssertion( "0") -AnnotationAssertion( "Rh") -AnnotationAssertion( "InChI=1S/Rh") -AnnotationAssertion( "MHOVAHRLVXNVSD-UHFFFAOYSA-N") -AnnotationAssertion( "102.90550") -AnnotationAssertion( "102.90550") -AnnotationAssertion( "[Rh]") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:7440-16-6") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:7440-16-6") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:2936374") -AnnotationAssertion( "WebElements:Rh") -AnnotationAssertion( "Wikipedia:Rhodium") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "rhodium") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "IUPAC") "45Rh") -AnnotationAssertion(Annotation( "ChEBI") "Rh") -AnnotationAssertion(Annotation( "ChEBI") "rhodium") -AnnotationAssertion(Annotation( "ChEBI") "rodio") -AnnotationAssertion( "CHEBI:33359") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "rhodium atom") -SubClassOf( ) - -# Class: (nickel group element atom) - -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "group 10 elements") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "nickel group element") -AnnotationAssertion(Annotation( "ChEBI") "nickel group elements") -AnnotationAssertion( "CHEBI:33362") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "nickel group element atom") -SubClassOf( ) -SubClassOf( ) - -# Class: (platinum) - -AnnotationAssertion( "0") -AnnotationAssertion( "Pt") -AnnotationAssertion( "InChI=1S/Pt") -AnnotationAssertion( "BASFCYQUMIYNBI-UHFFFAOYSA-N") -AnnotationAssertion( "195.078") -AnnotationAssertion( "194.96479") -AnnotationAssertion( "[Pt]") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:7440-06-4") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:7440-06-4") -AnnotationAssertion( "WebElements:Pt") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "platinum") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "IUPAC") "78Pt") -AnnotationAssertion(Annotation( "ChEBI") "Platin") -AnnotationAssertion(Annotation( "IUPAC") "Pt") -AnnotationAssertion(Annotation( "ChEBI") "platine") -AnnotationAssertion(Annotation( "ChEBI") "platino") -AnnotationAssertion( "CHEBI:33364") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "platinum") -SubClassOf( ) -SubClassOf( ) - -# Class: (platinum group metal atom) - -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "PGM") -AnnotationAssertion(Annotation( "ChEBI") "Platinmetalle") -AnnotationAssertion(Annotation( "ChEBI") "Platinoide") -AnnotationAssertion(Annotation( "ChEBI") "platinoid") -AnnotationAssertion(Annotation( "ChEBI") "platinum group metal") -AnnotationAssertion(Annotation( "ChEBI") "platinum group metals") -AnnotationAssertion(Annotation( "ChEBI") "platinum metals") -AnnotationAssertion( "CHEBI:33365") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "platinum group metal atom") -SubClassOf( ) - -# Class: (copper group element atom) - -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "group 11 elements") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "coinage metals") -AnnotationAssertion(Annotation( "ChEBI") "copper group element") -AnnotationAssertion(Annotation( "ChEBI") "copper group elements") -AnnotationAssertion( "CHEBI:33366") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "copper group element atom") -SubClassOf( ) -SubClassOf( ) - # Class: (technetium-99) AnnotationAssertion( "0") @@ -7567,171 +1866,7 @@ AnnotationAssertion(Annotation( "CHEBI:33371") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "technetium-99") -SubClassOf( ) - -# Class: (sulfur oxoacid) - -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "oxoacids of sulfur") -AnnotationAssertion(Annotation( "ChEBI") "sulfur oxoacids") -AnnotationAssertion( "CHEBI:33402") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "sulfur oxoacid") -SubClassOf( ) -SubClassOf( ) - -# Class: (hydracid) - -AnnotationAssertion( "A hydracid is a compound which contains hydrogen that is not bound to oxygen, and which produces a conjugate base by loss of positive hydrogen ion(s) (hydrons).") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "hydracid") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "hydracids") -AnnotationAssertion( "CHEBI:33405") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "hydracid") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (pnictogen oxoacid) - -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "pnictogen oxoacids") -AnnotationAssertion( "CHEBI:33408") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "pnictogen oxoacid") -SubClassOf( ) -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (sulfur oxoacid derivative) - -AnnotationAssertion(Annotation( "ChEBI") "sulfur oxoacid derivative") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "sulfur oxoacid derivatives") -AnnotationAssertion( "CHEBI:33424") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "sulfur oxoacid derivative") -SubClassOf( ) -SubClassOf( ) - -# Class: (monoatomic monoanion) - -AnnotationAssertion( "-1") -AnnotationAssertion( "0.00000") -AnnotationAssertion( "[*-]") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "monoatomic monoanions") -AnnotationAssertion( "CHEBI:33429") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "monoatomic monoanion") -SubClassOf( ) -SubClassOf( ) - -# Class: (elemental halogen) - -AnnotationAssertion(Annotation( "ChEBI") "elemental halogen") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "elemental halogens") -AnnotationAssertion( "CHEBI:33434") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "elemental halogen") -SubClassOf( ) - -# Class: (nitrogen oxoacid) - -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "nitrogen oxoacids") -AnnotationAssertion(Annotation( "ChEBI") "oxoacids of nitrogen") -AnnotationAssertion( "CHEBI:33455") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "nitrogen oxoacid") -SubClassOf( ) -SubClassOf( ) - -# Class: (phosphorus oxoacid) - -AnnotationAssertion( "A pnictogen oxoacid which contains phosphorus and oxygen, at least one hydrogen atom bound to oxygen, and forms an ion by the loss of one or more protons.") -AnnotationAssertion(Annotation( "ChEBI") "phosphorus oxoacid") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "Oxosaeure des Phosphors") -AnnotationAssertion(Annotation( "ChEBI") "oxoacids of phosphorus") -AnnotationAssertion(Annotation( "ChEBI") "phosphorus oxoacids") -AnnotationAssertion( "CHEBI:33457") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "phosphorus oxoacid") -SubClassOf( ) -SubClassOf( ) - -# Class: (nitrogen oxoanion) - -AnnotationAssertion(Annotation( "ChEBI") "nitrogen oxoanion") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "nitrogen oxoanions") -AnnotationAssertion(Annotation( "ChEBI") "oxoanions of nitrogen") -AnnotationAssertion( "CHEBI:33458") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "nitrogen oxoanion") -SubClassOf( ) -SubClassOf( ) - -# Class: (pnictogen oxoanion) - -AnnotationAssertion(Annotation( "ChEBI") "pnictogen oxoanion") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "pnictogen oxoanions") -AnnotationAssertion( "CHEBI:33459") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "pnictogen oxoanion") -SubClassOf( ) -SubClassOf( ) - -# Class: (phosphorus oxoanion) - -AnnotationAssertion(Annotation( "ChEBI") "phosphorus oxoanion") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "oxoanions of phosphorus") -AnnotationAssertion(Annotation( "ChEBI") "phosphorus oxoanions") -AnnotationAssertion( "CHEBI:33461") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "phosphorus oxoanion") -SubClassOf( ) -SubClassOf( ) -SubClassOf( ) - -# Class: (sulfur oxoanion) - -AnnotationAssertion(Annotation( "ChEBI") "sulfur oxoanion") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "oxoanions of sulfur") -AnnotationAssertion(Annotation( "ChEBI") "sulfur oxoanions") -AnnotationAssertion( "CHEBI:33482") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "sulfur oxoanion") -SubClassOf( ) -SubClassOf( ) - -# Class: (chalcogen oxoacid) - -AnnotationAssertion(Annotation( "ChEBI") "chalcogen oxoacid") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "chalcogen oxoacids") -AnnotationAssertion( "CHEBI:33484") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "chalcogen oxoacid") -SubClassOf( ) -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (chalcogen oxoanion) - -AnnotationAssertion(Annotation( "ChEBI") "chalcogen oxoanion") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "chalcogen oxoanions") -AnnotationAssertion( "CHEBI:33485") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "chalcogen oxoanion") -SubClassOf( ) -SubClassOf( ) +SubClassOf( ) # Class: (transition element molecular entity) @@ -7743,185 +1878,6 @@ AnnotationAssertion( ) AnnotationAssertion(rdfs:label "transition element molecular entity") SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (alkali metal cation) - -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "alkali metal cations") -AnnotationAssertion( "CHEBI:33504") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "alkali metal cation") -SubClassOf( ) - -# Class: (metal atom) - -AnnotationAssertion( "An atom of an element that exhibits typical metallic properties, being typically shiny, with high electrical and thermal conductivity.") -AnnotationAssertion( "CHEBI:25217") -AnnotationAssertion( "CHEBI:6788") -AnnotationAssertion( "KEGG:C00050") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:21784043") -AnnotationAssertion( "Wikipedia:Metal") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "elemental metal") -AnnotationAssertion(Annotation( "ChEBI") "elemental metals") -AnnotationAssertion(Annotation( "ChEBI") "metal element") -AnnotationAssertion(Annotation( "ChEBI") "metal elements") -AnnotationAssertion(Annotation( "ChEBI") "metals") -AnnotationAssertion( "CHEBI:33521") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "metal atom") -SubClassOf( ) - -# Class: (sulfonate) - -AnnotationAssertion( "The sulfur oxoanion formed by deprotonation of sulfonic acid.") -AnnotationAssertion( "-1") -AnnotationAssertion( "HO3S") -AnnotationAssertion( "InChI=1S/H2O3S/c1-4(2)3/h4H,(H,1,2,3)/p-1") -AnnotationAssertion( "BDHFUVZGWQCTTF-UHFFFAOYSA-M") -AnnotationAssertion( "81.07214") -AnnotationAssertion( "80.96519") -AnnotationAssertion( "[H]S([O-])(=O)=O") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:971569") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "hydridotrioxidosulfate(1-)") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "IUPAC") "SHO3(-)") -AnnotationAssertion(Annotation( "IUPAC") "[SHO3](-)") -AnnotationAssertion(Annotation( "ChEBI") "sulfonates") -AnnotationAssertion( "CHEBI:33543") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "sulfonate") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (organosulfonic acid) - -AnnotationAssertion( "An organic derivative of sulfonic acid in which the sulfo group is linked directly to carbon.") -AnnotationAssertion( "0") -AnnotationAssertion( "HO3SR") -AnnotationAssertion( "81.07100") -AnnotationAssertion( "80.96464") -AnnotationAssertion( "OS([*])(=O)=O") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "organosulfonic acids") -AnnotationAssertion(Annotation( "ChEBI") "sulfonic acids") -AnnotationAssertion( "CHEBI:33551") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "organosulfonic acid") -SubClassOf( ) -SubClassOf( ) -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (sulfonic acid derivative) - -AnnotationAssertion(Annotation( "ChEBI") "sulfonic acid derivative") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "derivatives of sulfonic acid") -AnnotationAssertion(Annotation( "ChEBI") "sulfonic acid derivatives") -AnnotationAssertion( "CHEBI:33552") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "sulfonic acid derivative") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (organosulfonate oxoanion) - -AnnotationAssertion( "An organic anion obtained by deprotonation of the sufonate group(s) of any organosulfonic acid.") -AnnotationAssertion( "-1") -AnnotationAssertion( "O3SR") -AnnotationAssertion( "80.064") -AnnotationAssertion( "79.95681") -AnnotationAssertion( "*S([O-])(=O)=O") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "organosulfonate") -AnnotationAssertion(Annotation( "ChEBI") "organosulfonate oxoanions") -AnnotationAssertion(Annotation( "ChEBI") "organosulfonates") -AnnotationAssertion( "CHEBI:33554") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "organosulfonate oxoanion") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (s-block element atom) - -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "s-block element") -AnnotationAssertion(Annotation( "ChEBI") "s-block elements") -AnnotationAssertion( "CHEBI:33559") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "s-block element atom") -SubClassOf( ) - -# Class: (p-block element atom) - -AnnotationAssertion( "Any main group element atom belonging to the p-block of the periodic table.") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "p-block element") -AnnotationAssertion(Annotation( "ChEBI") "p-block elements") -AnnotationAssertion( "CHEBI:33560") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "p-block element atom") -SubClassOf( ) - -# Class: (d-block element atom) - -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "d-block element") -AnnotationAssertion(Annotation( "ChEBI") "d-block elements") -AnnotationAssertion( "CHEBI:33561") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "d-block element atom") -SubClassOf( ) -SubClassOf( ) - -# Class: (f-block element atom) - -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "f-block element") -AnnotationAssertion(Annotation( "ChEBI") "f-block elements") -AnnotationAssertion( "CHEBI:33562") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "f-block element atom") -SubClassOf( ) - -# Class: (carboxylic acid) - -AnnotationAssertion( "A carbon oxoacid acid carrying at least one -C(=O)OH group and having the structure RC(=O)OH, where R is any any monovalent functional group. Carboxylic acids are the most common type of organic acid.") -AnnotationAssertion( "0") -AnnotationAssertion( "CHO2R") -AnnotationAssertion( "45.017") -AnnotationAssertion( "44.99765") -AnnotationAssertion( "OC([*])=O") -AnnotationAssertion( "CHEBI:13428") -AnnotationAssertion( "CHEBI:13627") -AnnotationAssertion( "CHEBI:23027") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:17147560") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:18433345") -AnnotationAssertion( "Wikipedia:Carboxylic_acid") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "carboxylic acid") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "carboxylic acids") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "Carbonsaeure") -AnnotationAssertion(Annotation( "ChEBI") "Carbonsaeuren") -AnnotationAssertion(Annotation( "ChEBI") "Karbonsaeure") -AnnotationAssertion(Annotation( "IUPAC") "RC(=O)OH") -AnnotationAssertion(Annotation( "IUPAC") "acide carboxylique") -AnnotationAssertion(Annotation( "IUPAC") "acides carboxyliques") -AnnotationAssertion(Annotation( "IUPAC") "acido carboxilico") -AnnotationAssertion(Annotation( "IUPAC") "acidos carboxilicos") -AnnotationAssertion( "CHEBI:33575") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "carboxylic acid") -SubClassOf( ) -SubClassOf( ) -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) # Class: (main group molecular entity) @@ -7933,280 +1889,6 @@ AnnotationAssertion( ) AnnotationAssertion(rdfs:label "main group molecular entity") SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (boron group molecular entity) - -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "boron group molecular entities") -AnnotationAssertion( "CHEBI:33581") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "boron group molecular entity") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (carbon group molecular entity) - -AnnotationAssertion(Annotation( "ChEBI") "carbon group molecular entity") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "carbon group molecular entities") -AnnotationAssertion( "CHEBI:33582") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "carbon group molecular entity") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (noble gas molecular entity) - -AnnotationAssertion( "A main group molecular entity containing one or more atoms of any noble gas.") -AnnotationAssertion(Annotation( "ChEBI") "noble gas molecular entity") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "noble gas compounds") -AnnotationAssertion(Annotation( "ChEBI") "noble gas molecular entities") -AnnotationAssertion( "CHEBI:33583") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "noble gas molecular entity") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (lead molecular entity) - -AnnotationAssertion(Annotation( "ChEBI") "lead molecular entity") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "lead compounds") -AnnotationAssertion(Annotation( "ChEBI") "lead molecular entities") -AnnotationAssertion( "CHEBI:33585") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "lead molecular entity") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (organolead compound) - -AnnotationAssertion( "A compound containing at least one carbon-lead bond.") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "organolead compounds") -AnnotationAssertion( "CHEBI:33586") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "organolead compound") -SubClassOf( ) -SubClassOf( ) - -# Class: (cyclic compound) - -AnnotationAssertion( "Any molecule that consists of a series of atoms joined together to form a ring.") -AnnotationAssertion( "Wikipedia:Cyclic_compound") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "cyclic compounds") -AnnotationAssertion( "CHEBI:33595") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "cyclic compound") -SubClassOf( ) - -# Class: (homocyclic compound) - -AnnotationAssertion( "A cyclic compound having as ring members atoms of the same element only.") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "homocyclic compound") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "homocyclic compounds") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "IUPAC") "isocyclic compounds") -AnnotationAssertion( "CHEBI:33597") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "homocyclic compound") -SubClassOf( ) - -# Class: (carbocyclic compound) - -AnnotationAssertion( "A homocyclic compound in which all of the ring members are carbon atoms.") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "carbocyclic compound") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "carbocyclic compounds") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "carbocycle") -AnnotationAssertion( "CHEBI:33598") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "carbocyclic compound") -SubClassOf( ) -SubClassOf( ) - -# Class: (hydrogen molecular entity) - -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "hydrogen compounds") -AnnotationAssertion(Annotation( "ChEBI") "hydrogen molecular entities") -AnnotationAssertion( "CHEBI:33608") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "hydrogen molecular entity") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (aliphatic compound) - -AnnotationAssertion( "Any acyclic or cyclic, saturated or unsaturated carbon compound, excluding aromatic compounds.") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "aliphatic compounds") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion( "CHEBI:33653") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "aliphatic compound") -SubClassOf( ) - -# Class: (aromatic compound) - -AnnotationAssertion( "A cyclically conjugated molecular entity with a stability (due to delocalization) significantly greater than that of a hypothetical localized structure (e.g. Kekule structure) is said to possess aromatic character.") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "aromatic compounds") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "aromatic molecular entity") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "aromatics") -AnnotationAssertion(Annotation( "ChEBI") "aromatische Verbindungen") -AnnotationAssertion( "CHEBI:33655") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "aromatic compound") -SubClassOf( ) - -# Class: (arene) - -AnnotationAssertion( "Any monocyclic or polycyclic aromatic hydrocarbon.") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "arene") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "arenes") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "IUPAC") "aromatic hydrocarbons") -AnnotationAssertion( "CHEBI:33658") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "arene") -SubClassOf( ) -SubClassOf( ) - -# Class: (organic aromatic compound) - -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "organic aromatic compounds") -AnnotationAssertion( "CHEBI:33659") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "organic aromatic compound") -SubClassOf( ) -SubClassOf( ) - -# Class: (monocyclic compound) - -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "monocyclic compounds") -AnnotationAssertion( "CHEBI:33661") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "monocyclic compound") -SubClassOf( ) - -# Class: (annulene) - -AnnotationAssertion( "A mancude monocyclic hydrocarbon without side chains of the general formula CnHn (n is an even number) or CnHn+1 (n is an odd number). In systematic nomenclature an annulene with seven or more carbon atoms may be named [n]annulene, where n is the number of carbon atoms.") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "annulene") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "annulenes") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion( "CHEBI:33662") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "annulene") -SubClassOf( ) - -# Class: (cyclic hydrocarbon) - -AnnotationAssertion(Annotation( "ChEBI") "cyclic hydrocarbon") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "cyclic hydrocarbons") -AnnotationAssertion( "CHEBI:33663") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "cyclic hydrocarbon") -SubClassOf( ) -SubClassOf( ) - -# Class: (monocyclic hydrocarbon) - -AnnotationAssertion(Annotation( "ChEBI") "monocyclic hydrocarbon") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "monocyclic hydrocarbons") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "monocyclic hydrocarbons") -AnnotationAssertion( "CHEBI:33664") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "monocyclic hydrocarbon") -SubClassOf( ) - -# Class: (heteromonocyclic compound) - -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "heteromonocyclic compound") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "heteromonocyclic compounds") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion( "CHEBI:33670") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "heteromonocyclic compound") -SubClassOf( ) -SubClassOf( ) - -# Class: (zinc group molecular entity) - -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "zinc group molecular entities") -AnnotationAssertion( "CHEBI:33673") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "zinc group molecular entity") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (s-block molecular entity) - -AnnotationAssertion( "An s-block molecular entity is a molecular entity containing one or more atoms of an s-block element.") -AnnotationAssertion(Annotation( "ChEBI") "s-block molecular entity") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "s-block compounds") -AnnotationAssertion(Annotation( "ChEBI") "s-block molecular entities") -AnnotationAssertion( "CHEBI:33674") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "s-block molecular entity") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (p-block molecular entity) - -AnnotationAssertion( "A main group molecular entity that contains one or more atoms of a p-block element.") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "p-block compounds") -AnnotationAssertion(Annotation( "ChEBI") "p-block molecular entities") -AnnotationAssertion(Annotation( "ChEBI") "p-block molecular entitiy") -AnnotationAssertion( "CHEBI:33675") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "p-block molecular entity") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (d-block molecular entity) - -AnnotationAssertion( "A d-block molecular entity is a molecular entity containing one or more atoms of a d-block element.") -AnnotationAssertion(Annotation( "ChEBI") "d-block molecular entity") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "d-block compounds") -AnnotationAssertion(Annotation( "ChEBI") "d-block molecular entities") -AnnotationAssertion( "CHEBI:33676") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "d-block molecular entity") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (helium molecular entity) - -AnnotationAssertion(Annotation( "ChEBI") "helium molecular entity") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "helium compounds") -AnnotationAssertion(Annotation( "ChEBI") "helium molecular entities") -AnnotationAssertion( "CHEBI:33679") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "helium molecular entity") -SubClassOf( ) -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (elemental helium) - -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion( "CHEBI:33680") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "elemental helium") -SubClassOf( ) # Class: (helium(0)) @@ -8236,169 +1918,9 @@ AnnotationAssertion(Annotation( "CHEBI:33681") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "helium(0)") -SubClassOf( ) +SubClassOf( ) +SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (hydrides) - -AnnotationAssertion( "Hydrides are chemical compounds of hydrogen with other chemical elements.") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion( "CHEBI:33692") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "hydrides") -SubClassOf( ) -SubClassOf( ) - -# Class: (oxygen hydride) - -AnnotationAssertion(Annotation( "ChEBI") "oxygen hydride") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "hydrides of oxygen") -AnnotationAssertion(Annotation( "ChEBI") "oxygen hydrides") -AnnotationAssertion( "CHEBI:33693") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "oxygen hydride") -SubClassOf( ) - -# Class: (polyatomic cation) - -AnnotationAssertion( "A cation consisting of more than one atom.") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "polyatomic cations") -AnnotationAssertion( "CHEBI:33702") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "polyatomic cation") -SubClassOf( ) -SubClassOf( ) - -# Class: (amino-acid cation) - -AnnotationAssertion(Annotation( "ChEBI") "amino-acid cation") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "amino acid cation") -AnnotationAssertion(Annotation( "ChEBI") "amino-acid cations") -AnnotationAssertion( "CHEBI:33703") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "amino-acid cation") -SubClassOf( ) -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (amino acid) - -AnnotationAssertion( "A carboxylic acid containing one or more amino groups.") -AnnotationAssertion( "CHEBI:13815") -AnnotationAssertion( "CHEBI:22477") -AnnotationAssertion( "Wikipedia:Amino_acid") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "Aminocarbonsaeure") -AnnotationAssertion(Annotation( "ChEBI") "Aminokarbonsaeure") -AnnotationAssertion(Annotation( "ChEBI") "Aminosaeure") -AnnotationAssertion(Annotation( "ChEBI") "amino acids") -AnnotationAssertion( "CHEBI:33709") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "amino acid") -SubClassOf( ) -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (chromium group molecular entity) - -AnnotationAssertion(Annotation( "ChEBI") "chromium group molecular entity") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "chromium group molecular entities") -AnnotationAssertion( "CHEBI:33741") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "chromium group molecular entity") -SubClassOf( ) -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (tungsten molecular entity) - -AnnotationAssertion(Annotation( "ChEBI") "tungsten molecular entity") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "tungsten compounds") -AnnotationAssertion(Annotation( "ChEBI") "tungsten molecular entities") -AnnotationAssertion( "CHEBI:33742") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "tungsten molecular entity") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (iron group molecular entity) - -AnnotationAssertion(Annotation( "ChEBI") "iron group molecular entity") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "iron group molecular entities") -AnnotationAssertion( "CHEBI:33744") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "iron group molecular entity") -SubClassOf( ) -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (copper group molecular entity) - -AnnotationAssertion(Annotation( "ChEBI") "copper group molecular entity") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "copper group molecular entities") -AnnotationAssertion( "CHEBI:33745") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "copper group molecular entity") -SubClassOf( ) -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (nickel group molecular entity) - -AnnotationAssertion(Annotation( "ChEBI") "nickel group molecular entity") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "nickel group molecular entities") -AnnotationAssertion( "CHEBI:33747") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "nickel group molecular entity") -SubClassOf( ) -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (platinum molecular entity) - -AnnotationAssertion(Annotation( "ChEBI") "platinum molecular entity") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "platinum compounds") -AnnotationAssertion(Annotation( "ChEBI") "platinum molecular entities") -AnnotationAssertion( "CHEBI:33749") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "platinum molecular entity") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (cobalt group molecular entity) - -AnnotationAssertion(Annotation( "ChEBI") "cobalt group molecular entity") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "cobalt group molecular entities") -AnnotationAssertion( "CHEBI:33767") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "cobalt group molecular entity") -SubClassOf( ) -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (scandium group molecular entity) - -AnnotationAssertion(Annotation( "ChEBI") "scandium group molecular entity") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "scandium group compounds") -AnnotationAssertion(Annotation( "ChEBI") "scandium group molecular entities") -AnnotationAssertion( "CHEBI:33773") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "scandium group molecular entity") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) # Class: (oxygen-17 atom) @@ -8421,191 +1943,7 @@ AnnotationAssertion(Annotation( "CHEBI:33819") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "oxygen-17 atom") -SubClassOf( ) - -# Class: (organic hydroxy compound) - -AnnotationAssertion( "An organic compound having at least one hydroxy group attached to a carbon atom.") -AnnotationAssertion( "CHEBI:64710") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "hydroxy compounds") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "organic alcohol") -AnnotationAssertion(Annotation( "ChEBI") "organic hydroxy compounds") -AnnotationAssertion( "CHEBI:33822") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "organic hydroxy compound") -SubClassOf( ) -SubClassOf( ) - -# Class: (organic cyclic compound) - -AnnotationAssertion( "Any organic molecule that consists of atoms connected in the form of a ring.") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "organic cyclic compounds") -AnnotationAssertion( "CHEBI:33832") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "organic cyclic compound") -SubClassOf( ) -SubClassOf( ) - -# Class: (heteroarene) - -AnnotationAssertion( "A heterocyclic compound formally derived from an arene by replacement of one or more methine (-C=) and/or vinylene (-CH=CH-) groups by trivalent or divalent heteroatoms, respectively, in such a way as to maintain the continuous pi-electron system characteristic of aromatic systems and a number of out-of-plane pi-electrons corresponding to the Hueckel rule (4n+2).") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "heteroarenes") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "IUPAC") "hetarenes") -AnnotationAssertion( "CHEBI:33833") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "heteroarene") -SubClassOf( ) -SubClassOf( ) - -# Class: (benzenoid aromatic compound) - -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "benzenoid aromatic compounds") -AnnotationAssertion(Annotation( "ChEBI") "benzenoid compound") -AnnotationAssertion( "CHEBI:33836") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "benzenoid aromatic compound") -SubClassOf( ) -SubClassOf( ) - -# Class: (aromatic annulene) - -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "aromatic annulenes") -AnnotationAssertion( "CHEBI:33842") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "aromatic annulene") -SubClassOf( ) -SubClassOf( ) - -# Class: (monocyclic arene) - -AnnotationAssertion( "A monocyclic aromatic hydrocarbon.") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "monocyclic arenes") -AnnotationAssertion( "CHEBI:33847") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "monocyclic arene") -SubClassOf( ) - -# Class: (transition element coordination entity) - -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "transition element coordination entities") -AnnotationAssertion(Annotation( "ChEBI") "transition metal coordination compounds") -AnnotationAssertion(Annotation( "ChEBI") "transition metal coordination entities") -AnnotationAssertion( "CHEBI:33861") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "transition element coordination entity") -SubClassOf( ) -SubClassOf( ) - -# Class: (platinum coordination entity) - -AnnotationAssertion(Annotation( "ChEBI") "platinum coordination entity") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "platinum coordination compounds") -AnnotationAssertion(Annotation( "ChEBI") "platinum coordination entities") -AnnotationAssertion( "CHEBI:33862") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "platinum coordination entity") -SubClassOf( ) -SubClassOf( ) - -# Class: (rhodium molecular entity) - -AnnotationAssertion(Annotation( "ChEBI") "rhodium molecular entity") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "rhodium compounds") -AnnotationAssertion(Annotation( "ChEBI") "rhodium molecular entities") -AnnotationAssertion( "CHEBI:33887") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "rhodium molecular entity") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (rhodium coordination entity) - -AnnotationAssertion(Annotation( "ChEBI") "rhodium coordination entity") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "rhodium coordination compound") -AnnotationAssertion(Annotation( "ChEBI") "rhodium coordination compounds") -AnnotationAssertion( "CHEBI:33889") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "rhodium coordination entity") -SubClassOf( ) -SubClassOf( ) - -# Class: (iron coordination entity) - -AnnotationAssertion(Annotation( "ChEBI") "iron coordination entity") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "iron coordination compounds") -AnnotationAssertion(Annotation( "ChEBI") "iron coordination entities") -AnnotationAssertion( "CHEBI:33892") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "iron coordination entity") -SubClassOf( ) -SubClassOf( ) - -# Class: (reagent) - -AnnotationAssertion( "A substance used in a chemical reaction to detect, measure, examine, or produce other substances.") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "reagent") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "IUPAC") "reactif") -AnnotationAssertion(Annotation( "IUPAC") "reactivo") -AnnotationAssertion(Annotation( "ChEBI") "reagents") -AnnotationAssertion( "CHEBI:33893") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "reagent") -SubClassOf( ) - -# Class: (macronutrient) - -AnnotationAssertion( "Any nutrient required in large quantities by organisms throughout their life in order to orchestrate a range of physiological functions. Macronutrients are usually chemical elements (carbon, hydrogen, nitrogen, oxygen, phosphorus and sulfur) that humans consume in the largest quantities. Calcium, sodium, magnesium and potassium are sometimes included as macronutrients because they are required in relatively large quantities compared with other vitamins and minerals.") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "macronutrients") -AnnotationAssertion( "CHEBI:33937") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "macronutrient") -SubClassOf( ) - -# Class: (halide salt) - -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "halide salts") -AnnotationAssertion(Annotation( "ChEBI") "halides") -AnnotationAssertion( "CHEBI:33958") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "halide salt") -SubClassOf( ) -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (silver molecular entity) - -AnnotationAssertion(Annotation( "ChEBI") "silver molecular entity") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "silver compounds") -AnnotationAssertion(Annotation( "ChEBI") "silver molecular entities") -AnnotationAssertion( "CHEBI:33964") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "silver molecular entity") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (silver salt) - -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "silver salts") -AnnotationAssertion( "CHEBI:33968") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "silver salt") -SubClassOf( ) +SubClassOf( ) # Class: (morpholine) @@ -8648,285 +1986,8 @@ AnnotationAssertion(Annotation( "CHEBI:34856") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "morpholine") -SubClassOf( ) -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (nitrogen hydride) - -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "nitrogen hydrides") -AnnotationAssertion( "CHEBI:35106") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "nitrogen hydride") -SubClassOf( ) -SubClassOf( ) - -# Class: (azane) - -AnnotationAssertion( "Saturated acyclic nitrogen hydrides having the general formula NnHn+2.") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "azanes") -AnnotationAssertion( "CHEBI:35107") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "azane") -SubClassOf( ) - -# Class: (inhibitor) - -AnnotationAssertion( "A substance that diminishes the rate of a chemical reaction.") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "inhibitor") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "inhibidor") -AnnotationAssertion(Annotation( "ChEBI") "inhibiteur") -AnnotationAssertion(Annotation( "ChEBI") "inhibitors") -AnnotationAssertion( "CHEBI:35222") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "inhibitor") -SubClassOf( ) - -# Class: (catalyst) - -AnnotationAssertion( "A substance that increases the rate of a reaction without modifying the overall standard Gibbs energy change in the reaction.") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "catalyst") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "Katalysator") -AnnotationAssertion(Annotation( "ChEBI") "catalizador") -AnnotationAssertion(Annotation( "ChEBI") "catalyseur") -AnnotationAssertion( "CHEBI:35223") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "catalyst") -SubClassOf( ) - -# Class: (fossil fuel) - -AnnotationAssertion( "A fuel such as coal, oil and natural gas which has formed over many years through the decomposition of deposited vegetation which was under extreme pressure of an overburden of earth.") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "fossil fuel") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion( "CHEBI:35230") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "fossil fuel") -SubClassOf( ) - -# Class: (tungsten coordination entity) - -AnnotationAssertion(Annotation( "ChEBI") "tungsten coordination entity") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "tungsten coordination compounds") -AnnotationAssertion(Annotation( "ChEBI") "tungsten coordination entities") -AnnotationAssertion( "CHEBI:35233") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "tungsten coordination entity") -SubClassOf( ) -SubClassOf( ) - -# Class: (quaternary ammonium ion) - -AnnotationAssertion( "A derivative of ammonium, NH4(+), in which all four of the hydrogens bonded to nitrogen have been replaced with univalent (usually organyl) groups.") -AnnotationAssertion( "+1") -AnnotationAssertion( "NR4") -AnnotationAssertion( "14.00670") -AnnotationAssertion( "14.00307") -AnnotationAssertion( "[*][N+]([*])([*])[*]") -AnnotationAssertion( "CHEBI:26470") -AnnotationAssertion( "CHEBI:8693") -AnnotationAssertion( "KEGG:C06703") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "quaternary ammonium ion") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Quaternary amine") -AnnotationAssertion(Annotation( "UniProt") "a quaternary ammonium") -AnnotationAssertion(Annotation( "ChEBI") "quaternary ammonium ions") -AnnotationAssertion( "CHEBI:35267") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "quaternary ammonium ion") -SubClassOf( ) -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (quaternary ammonium salt) - -AnnotationAssertion( "Derivatives of ammonium compounds, (NH4(+))Y(-), in which all four of the hydrogens bonded to nitrogen have been replaced with univalent (usually organyl) groups.") -AnnotationAssertion( "CHEBI:26468") -AnnotationAssertion( "CHEBI:35268") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "quaternary ammonium compounds") -AnnotationAssertion(Annotation( "ChEBI") "quaternary ammonium salt") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "quaternary ammonium compound") -AnnotationAssertion(Annotation( "ChEBI") "quaternary ammonium salts") -AnnotationAssertion( "CHEBI:35273") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "quaternary ammonium salt") -SubClassOf( ) -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (ammonium ion derivative) - -AnnotationAssertion( "A derivative of ammonium, NH4(+), in which one (or more) of the hydrogens bonded to the nitrogen have been replaced with univalent organyl groups. The substituting carbon of the organyl group must not itself be directly attached to a heteroatom (thereby excluding protonated amides, hemiaminals, etc).") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "ammonium ion derivatives") -AnnotationAssertion(Annotation( "ChEBI") "azanium ion derivative") -AnnotationAssertion(Annotation( "ChEBI") "azanium ion derivatives") -AnnotationAssertion( "CHEBI:35274") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "ammonium ion derivative") -SubClassOf( ) -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (ammonium compound) - -AnnotationAssertion( "Compounds (NH4(+))Y(-) and derivatives, in which one or more of the hydrogens bonded to nitrogen have been replaced with univalent groups.") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "azanium compounds") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "ammonium compounds") -AnnotationAssertion(Annotation( "IUPAC") "ammonium compounds") -AnnotationAssertion( "CHEBI:35276") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "ammonium compound") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (organonitrogen compound) - -AnnotationAssertion( "Any heteroorganic entity containing at least one carbon-nitrogen bond.") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "organonitrogen compounds") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "organonitrogens") -AnnotationAssertion( "CHEBI:35352") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "organonitrogen compound") -SubClassOf( ) -SubClassOf( ) - -# Class: (fatty acid) - -AnnotationAssertion( "Any aliphatic monocarboxylic acid derived from or contained in esterified form in an animal or vegetable fat, oil or wax. Natural fatty acids commonly have a chain of 4 to 28 carbons (usually unbranched and even-numbered), which may be saturated or unsaturated. By extension, the term is sometimes used to embrace all acyclic aliphatic carboxylic acids.") -AnnotationAssertion( "0") -AnnotationAssertion( "CHO2R") -AnnotationAssertion( "45.01740") -AnnotationAssertion( "44.99765") -AnnotationAssertion( "OC([*])=O") -AnnotationAssertion( "CHEBI:13633") -AnnotationAssertion( "CHEBI:24024") -AnnotationAssertion( "CHEBI:4984") -AnnotationAssertion( "KEGG:C00162") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:14287444") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:14300208") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:14328676") -AnnotationAssertion( "Wikipedia:Fatty_acid") -AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Fatty acid") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "fatty acids") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "Fettsaeure") -AnnotationAssertion(Annotation( "ChEBI") "Fettsaeuren") -AnnotationAssertion(Annotation( "ChEBI") "acide gras") -AnnotationAssertion(Annotation( "ChemIDplus") "acides gras") -AnnotationAssertion(Annotation( "ChEBI") "acido graso") -AnnotationAssertion(Annotation( "ChEBI") "acidos grasos") -AnnotationAssertion(Annotation( "ChEBI") "fatty acids") -AnnotationAssertion( "CHEBI:35366") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "fatty acid") -SubClassOf( ) -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (transition element oxoanion) - -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "transition element oxoanions") -AnnotationAssertion(Annotation( "ChEBI") "transition metal oxoanion") -AnnotationAssertion(Annotation( "ChEBI") "transition metal oxoanions") -AnnotationAssertion( "CHEBI:35405") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "transition element oxoanion") -SubClassOf( ) -SubClassOf( ) -SubClassOf( ) - -# Class: (oxoanion) - -AnnotationAssertion( "An oxoanion is an anion derived from an oxoacid by loss of hydron(s) bound to oxygen.") -AnnotationAssertion( "CHEBI:33274") -AnnotationAssertion( "CHEBI:33436") -AnnotationAssertion(Annotation( "ChEBI") "oxoanion") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "oxoacid anions") -AnnotationAssertion(Annotation( "ChEBI") "oxoanions") -AnnotationAssertion( "CHEBI:35406") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "oxoanion") -SubClassOf( ) -SubClassOf( ) - -# Class: (antiinfective agent) - -AnnotationAssertion( "A substance used in the prophylaxis or therapy of infectious diseases.") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "anti-infective agents") -AnnotationAssertion(Annotation( "ChEBI") "anti-infective drugs") -AnnotationAssertion(Annotation( "ChEBI") "antiinfective agents") -AnnotationAssertion(Annotation( "ChEBI") "antiinfective drug") -AnnotationAssertion( "CHEBI:35441") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "antiinfective agent") -SubClassOf( ) - -# Class: (alkali metal salt) - -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "alkali metal salts") -AnnotationAssertion( "CHEBI:35479") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "alkali metal salt") -SubClassOf( ) -SubClassOf( ) - -# Class: (fluorobenzenes) - -AnnotationAssertion( "Any fluoroarene that is a benzene or a substituted benzene carrying at least one fluoro group.") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion( "CHEBI:35496") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "fluorobenzenes") -SubClassOf( ) -SubClassOf( ) - -# Class: (fluoroalkanoic acid) - -AnnotationAssertion( "Any organofluorine compound that is the perfluorinated derivative of any alkanoic acid.") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "fluoroalkanoic acids") -AnnotationAssertion( "CHEBI:35551") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "fluoroalkanoic acid") -SubClassOf( ) -SubClassOf( ) - -# Class: (heterocyclic organic fundamental parent) - -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "heterocyclic parent hydrides") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "heterocyclic fundamental parent") -AnnotationAssertion(Annotation( "ChEBI") "heterocyclic organic fundamental parents") -AnnotationAssertion(Annotation( "ChEBI") "organic heterocyclic fundamental parents") -AnnotationAssertion( "CHEBI:35552") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "heterocyclic organic fundamental parent") -SubClassOf( ) - -# Class: (mancude organic heteromonocyclic parent) - -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "mancude organic heteromonocyclic parents") -AnnotationAssertion(Annotation( "ChEBI") "mancude-ring organic heteromonocyclic parents") -AnnotationAssertion( "CHEBI:35555") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "mancude organic heteromonocyclic parent") -SubClassOf( ) -SubClassOf( ) +SubClassOf( ) +SubClassOf( ) # Class: (mancude ring) @@ -8940,339 +2001,6 @@ AnnotationAssertion( "mancude ring") SubClassOf( ) -# Class: (mancude organic heterocyclic parent) - -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "mancude organic heterocyclic parents") -AnnotationAssertion(Annotation( "ChEBI") "mancude-ring organic heterocyclic parents") -AnnotationAssertion( "CHEBI:35571") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "mancude organic heterocyclic parent") -SubClassOf( ) -SubClassOf( ) - -# Class: (organic mancude parent) - -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "organic mancude parents") -AnnotationAssertion(Annotation( "ChEBI") "organic mancude-ring parents") -AnnotationAssertion( "CHEBI:35573") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "organic mancude parent") -SubClassOf( ) -SubClassOf( ) - -# Class: (carbon oxoacid) - -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "carbon oxoacids") -AnnotationAssertion(Annotation( "ChEBI") "oxoacids of carbon") -AnnotationAssertion( "CHEBI:35605") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "carbon oxoacid") -SubClassOf( ) -SubClassOf( ) - -# Class: (ester) - -AnnotationAssertion( "A compound formally derived from an oxoacid RkE(=O)l(OH)m (l > 0) and an alcohol, phenol, heteroarenol, or enol by linking with formal loss of water from an acidic hydroxy group of the former and a hydroxy group of the latter.") -AnnotationAssertion( "CHEBI:23960") -AnnotationAssertion( "CHEBI:4859") -AnnotationAssertion( "KEGG:C00287") -AnnotationAssertion( "Wikipedia:Ester") -AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Ester") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "esters") -AnnotationAssertion( "CHEBI:35701") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "ester") -SubClassOf( ) - -# Class: (nitro compound) - -AnnotationAssertion( "A compound having a nitro group, -NO2 (free valence on nitrogen), which may be attached to carbon, nitrogen (as in nitramines), or oxygen (as in nitrates), among other elements (in the absence of specification, C-nitro compounds are usually implied).") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "nitro compounds") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion( "CHEBI:35715") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "nitro compound") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (C-nitro compound) - -AnnotationAssertion( "A nitro compound having the nitro group (-NO2) attached to a carbon atom.") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "C-nitro compounds") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion( "CHEBI:35716") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "C-nitro compound") -SubClassOf( ) -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (antifungal agent) - -AnnotationAssertion( "An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "antifungal") -AnnotationAssertion(Annotation( "ChEBI") "antifungal agents") -AnnotationAssertion(Annotation( "ChEBI") "antifungal drug") -AnnotationAssertion(Annotation( "ChEBI") "antifungal drugs") -AnnotationAssertion(Annotation( "ChEBI") "antifungals") -AnnotationAssertion( "CHEBI:35718") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "antifungal agent") -SubClassOf( ) - -# Class: (osmium coordination entity) - -AnnotationAssertion(Annotation( "ChEBI") "osmium coordination entity") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "osmium coordination compounds") -AnnotationAssertion(Annotation( "ChEBI") "osmium coordination entities") -AnnotationAssertion( "CHEBI:35731") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "osmium coordination entity") -SubClassOf( ) -SubClassOf( ) - -# Class: (osmium molecular entity) - -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "osmium compounds") -AnnotationAssertion(Annotation( "ChEBI") "osmium molecular entities") -AnnotationAssertion(Annotation( "ChEBI") "osmium molecular entitiy") -AnnotationAssertion( "CHEBI:35732") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "osmium molecular entity") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (monocarboxylic acid anion) - -AnnotationAssertion( "A carboxylic acid anion formed when the carboxy group of a monocarboxylic acid is deprotonated.") -AnnotationAssertion( "-1") -AnnotationAssertion( "CO2R") -AnnotationAssertion( "44.01000") -AnnotationAssertion( "43.98983") -AnnotationAssertion( "[O-]C([*])=O") -AnnotationAssertion( "CHEBI:13657") -AnnotationAssertion( "CHEBI:25382") -AnnotationAssertion( "CHEBI:3407") -AnnotationAssertion( "KEGG:C00060") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Carboxylate") -AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Monocarboxylate") -AnnotationAssertion(Annotation( "UniProt") "a monocarboxylate") -AnnotationAssertion(Annotation( "ChEBI") "monocarboxylates") -AnnotationAssertion(Annotation( "ChEBI") "monocarboxylic acid anions") -AnnotationAssertion( "CHEBI:35757") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "monocarboxylic acid anion") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (phosphate ion) - -AnnotationAssertion( "A phosphorus oxoanion that is the conjugate base of phosphoric acid.") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "Pi") -AnnotationAssertion(Annotation( "ChEBI") "phosphate") -AnnotationAssertion(Annotation( "ChEBI") "phosphate ions") -AnnotationAssertion( "CHEBI:35780") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "phosphate ion") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (pnictogen hydride) - -AnnotationAssertion(Annotation( "ChEBI") "pnictogen hydride") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "pnictogen hydrides") -AnnotationAssertion( "CHEBI:35881") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "pnictogen hydride") -SubClassOf( ) -SubClassOf( ) - -# Class: (phosphine) - -AnnotationAssertion( "Phosphane (PH3) and compounds derived from it by substituting one, two or three hydrogen atoms by hydrocarbyl groups: RPH2, R2PH, R3P (R =/= H) are called primary, secondary and tertiary phosphines, respectively. A specific phosphine is preferably named as a substituted phosphane.") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:14629181") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:21241104") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:21399776") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:21699183") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:21714575") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:21854058") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:21957974") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "phosphines") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "IUPAC") "fosfinas") -AnnotationAssertion(Annotation( "ChEBI") "phosphines") -AnnotationAssertion( "CHEBI:35883") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "phosphine") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (tertiary phosphine) - -AnnotationAssertion( "A compound derived from phosphane by substituting three hydrogen atoms by hydrocarbyl groups.") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "tertiary phosphines") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "IUPAC") "fosfina terciaria") -AnnotationAssertion(Annotation( "IUPAC") "fosfinas terciarias") -AnnotationAssertion(Annotation( "IUPAC") "phosphines tertiaires") -AnnotationAssertion( "CHEBI:35886") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "tertiary phosphine") -SubClassOf( ) - -# Class: (chloroethanes) - -AnnotationAssertion( "A chloroalkane that is ethane in which one or more of the hydrogens is replaced by chlorine.") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion( "CHEBI:36016") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "chloroethanes") -SubClassOf( ) -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (tungsten oxoanion) - -AnnotationAssertion(Annotation( "ChEBI") "tungsten oxoanion") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "tungsten oxoanions") -AnnotationAssertion( "CHEBI:36270") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "tungsten oxoanion") -SubClassOf( ) -SubClassOf( ) - -# Class: (hydrogentungstate) - -AnnotationAssertion( "A monovalent inorganic anion that consists of tungstic acid where one of the two OH groups has been deprotonated.") -AnnotationAssertion( "-1") -AnnotationAssertion( "HO4W") -AnnotationAssertion( "InChI=1S/H2O.3O.W/h1H2;;;;/q;;;-1;+1/p-1") -AnnotationAssertion( "QGUPUDUDXSOSNF-UHFFFAOYSA-M") -AnnotationAssertion( "248.84554") -AnnotationAssertion( "248.93896") -AnnotationAssertion( "[H]O[W]([O-])(=O)=O") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:26402") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "hydrogen(tetraoxidotungstate)(1-)") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "hydroxidodioxidotungstate(1-)") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "IUPAC") "HWO4(-)") -AnnotationAssertion(Annotation( "ChEBI") "[WO3(OH)](-)") -AnnotationAssertion( "CHEBI:36271") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "hydrogentungstate") -SubClassOf( ) -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (tungstic acid) - -AnnotationAssertion( "0") -AnnotationAssertion( "H2O4W") -AnnotationAssertion( "InChI=1S/2H2O.2O.W/h2*1H2;;;/q;;;;+2/p-2") -AnnotationAssertion( "CMPGARWFYBADJI-UHFFFAOYSA-L") -AnnotationAssertion( "249.85348") -AnnotationAssertion( "249.94624") -AnnotationAssertion( "[H]O[W](=O)(=O)O[H]") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:7783-03-1") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:82224") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "dihydroxidodioxidotungsten") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "IUPAC") "H2WO4") -AnnotationAssertion(Annotation( "ChEBI") "[WO2(OH)2]") -AnnotationAssertion(Annotation( "ChemIDplus") "dihydrogen wolframate") -AnnotationAssertion(Annotation( "ChemIDplus") "tungstic(VI) acid") -AnnotationAssertion( "CHEBI:36272") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "tungstic acid") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (lepton) - -AnnotationAssertion( "Lepton is a fermion that does not experience the strong force (strong interaction). The term is derived from the Greek lambdaepsilonpitauomicronsigma (small, thin).") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "leptons") -AnnotationAssertion( "CHEBI:36338") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "lepton") -SubClassOf( ) -SubClassOf( ) - -# Class: (baryon) - -AnnotationAssertion( "Baryon is a fermion that does experience the strong force (strong interaction). The term is derived from the Greek betaalpharhoupsilonsigma (heavy).") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "baryons") -AnnotationAssertion( "CHEBI:36339") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "baryon") -SubClassOf( ) -SubClassOf( ) - -# Class: (fermion) - -AnnotationAssertion( "Particle of half-integer spin quantum number following Fermi-Dirac statistics. Fermions are named after Enrico Fermi.") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "fermion") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "fermions") -AnnotationAssertion( "CHEBI:36340") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "fermion") -SubClassOf( ) - -# Class: (subatomic particle) - -AnnotationAssertion( "A particle smaller than an atom.") -AnnotationAssertion( "Wikipedia:Subatomic_particle") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "subatomic particles") -AnnotationAssertion( "CHEBI:36342") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "subatomic particle") - -# Class: (composite particle) - -AnnotationAssertion( "A subatomic particle known to have substructure (i.e. consisting of smaller particles).") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "composite particles") -AnnotationAssertion( "CHEBI:36343") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "composite particle") -SubClassOf( ) - -# Class: (hadron) - -AnnotationAssertion( "Hadron is a subatomic particle which experiences the strong force.") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "hadrons") -AnnotationAssertion( "CHEBI:36344") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "hadron") -SubClassOf( ) - -# Class: (nuclear particle) - -AnnotationAssertion( "A nucleus or any of its constituents in any of their energy states.") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "nuclear particle") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion( "CHEBI:36347") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "nuclear particle") -SubClassOf( ) - # Class: (polyatomic entity) AnnotationAssertion( "Any molecular entity consisting of more than one atom.") @@ -9282,104 +2010,6 @@ AnnotationAssertion( ) AnnotationAssertion(rdfs:label "polyatomic entity") SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (polyatomic ion) - -AnnotationAssertion( "An ion consisting of more than one atom.") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "polyatomic ions") -AnnotationAssertion( "CHEBI:36358") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "polyatomic ion") -SubClassOf( ) -SubClassOf( ) - -# Class: (phosphorus oxoacid derivative) - -AnnotationAssertion(Annotation( "ChEBI") "phosphorus oxoacid derivative") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion( "CHEBI:36359") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "phosphorus oxoacid derivative") -SubClassOf( ) -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (phosphorus oxoacids and derivatives) - -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion( "CHEBI:36360") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "phosphorus oxoacids and derivatives") -SubClassOf( ) - -# Class: (saturated organic heterocyclic parent) - -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "saturated heterocyclic parent hydride") -AnnotationAssertion(Annotation( "ChEBI") "saturated heterocyclic parent hydrides") -AnnotationAssertion(Annotation( "ChEBI") "saturated organic heterocyclic parents") -AnnotationAssertion( "CHEBI:36388") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "saturated organic heterocyclic parent") -SubClassOf( ) - -# Class: (saturated organic heteromonocyclic parent) - -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "saturated heteromonocyclic parent hydride") -AnnotationAssertion(Annotation( "ChEBI") "saturated heteromonocyclic parent hydrides") -AnnotationAssertion(Annotation( "ChEBI") "saturated organic heteromonocyclic parents") -AnnotationAssertion( "CHEBI:36389") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "saturated organic heteromonocyclic parent") -SubClassOf( ) -SubClassOf( ) - -# Class: (carbonyl compound) - -AnnotationAssertion( "Any compound containing the carbonyl group, C=O. The term is commonly used in the restricted sense of aldehydes and ketones, although it actually includes carboxylic acids and derivatives.") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "carbonyl compounds") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion( "CHEBI:36586") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "carbonyl compound") -SubClassOf( ) -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (organic oxo compound) - -AnnotationAssertion( "Organic compounds containing an oxygen atom, =O, doubly bonded to carbon or another element.") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "oxo compounds") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "organic oxo compounds") -AnnotationAssertion( "CHEBI:36587") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "organic oxo compound") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (heterone) - -AnnotationAssertion( "Organic compounds having an oxygen atom formally doubly bonded to a heteroatom.") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "heterone") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "heterones") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "heterones") -AnnotationAssertion( "CHEBI:36598") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "heterone") -SubClassOf( ) - -# Class: (acyclic heterone) - -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion( "CHEBI:36599") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "acyclic heterone") -SubClassOf( ) # Class: (triphenylphosphane oxide) @@ -9391,7 +2021,6 @@ AnnotationAssertion( "278.28486") AnnotationAssertion( "278.08605") AnnotationAssertion( "O=P(c1ccccc1)(c1ccccc1)c1ccccc1") -AnnotationAssertion(Annotation( "Beilstein") "Beilstein:745854") AnnotationAssertion(Annotation( "ChemIDplus") "CAS:791-28-6") AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:791-28-6") AnnotationAssertion(Annotation( "Gmelin") "Gmelin:6758") @@ -9410,56 +2039,8 @@ AnnotationAssertion(Annotation( "CHEBI:36601") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "triphenylphosphane oxide") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (metal carbonyl) - -AnnotationAssertion( "A coordination entity that is coordination complex of a metals with one or more carbon monoxide ligands.") -AnnotationAssertion( "Wikipedia:Metal_carbonyl") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "metal carbonyls") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "metal carbonyls") -AnnotationAssertion( "CHEBI:36604") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "metal carbonyl") -SubClassOf( ) - -# Class: (organotellurium compound) - -AnnotationAssertion(Annotation( "ChEBI") "organotellurium compound") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "organotellurium compounds") -AnnotationAssertion( "CHEBI:36652") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "organotellurium compound") -SubClassOf( ) - -# Class: (organochlorine compound) - -AnnotationAssertion( "An organochlorine compound is a compound containing at least one carbon-chlorine bond.") -AnnotationAssertion( "0") -AnnotationAssertion( "ClR") -AnnotationAssertion( "35.453") -AnnotationAssertion( "34.96885") -AnnotationAssertion( "Cl[*]") -AnnotationAssertion( "MetaCyc:Chlorides") -AnnotationAssertion( "Wikipedia:Organochloride") -AnnotationAssertion(Annotation( "ChEBI") "organochlorine compound") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "UniProt") "an organochlorine molecule") -AnnotationAssertion(Annotation( "ChEBI") "chloroorganic compounds") -AnnotationAssertion(Annotation( "ChEBI") "chlororganische Verbindungen") -AnnotationAssertion(Annotation( "ChEBI") "organochloride") -AnnotationAssertion(Annotation( "ChEBI") "organochloride compound") -AnnotationAssertion(Annotation( "ChEBI") "organochloride compounds") -AnnotationAssertion(Annotation( "ChEBI") "organochlorides") -AnnotationAssertion(Annotation( "ChEBI") "organochlorine compounds") -AnnotationAssertion( "CHEBI:36683") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "organochlorine compound") -SubClassOf( ) -SubClassOf( ) +SubClassOf( ) +SubClassOf( ) # Class: ((trifluoromethyl)benzene) @@ -9471,7 +2052,6 @@ AnnotationAssertion( "146.10980") AnnotationAssertion( "146.03433") AnnotationAssertion( "FC(F)(F)c1ccccc1") -AnnotationAssertion(Annotation( "ChemIDplus") "Beilstein:1906908") AnnotationAssertion(Annotation( "ChemIDplus") "CAS:98-08-8") AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:98-08-8") AnnotationAssertion(Annotation( "Gmelin") "Gmelin:3670") @@ -9493,220 +2073,8 @@ AnnotationAssertion(Annotation( "CHEBI:36810") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "(trifluoromethyl)benzene") -SubClassOf( ) -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (pseudohalo group) - -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "pseudohalide group") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "halogenoid group") -AnnotationAssertion(Annotation( "ChEBI") "pseudohalido group") -AnnotationAssertion(Annotation( "ChEBI") "pseudohalo groups") -AnnotationAssertion(Annotation( "IUPAC") "pseudohalogen group") -AnnotationAssertion( "CHEBI:36823") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "pseudohalo group") -SubClassOf( ) - -# Class: (pseudohalide anion) - -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "pseudohalide ions") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "pseudohalide anions") -AnnotationAssertion(Annotation( "ChEBI") "pseudohalides") -AnnotationAssertion(Annotation( "ChEBI") "pseudohalogen anion") -AnnotationAssertion(Annotation( "ChEBI") "pseudohalogen ion") -AnnotationAssertion( "CHEBI:36828") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "pseudohalide anion") -SubClassOf( ) - -# Class: (polyatomic monoanion) - -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "polyatomic monoanions") -AnnotationAssertion( "CHEBI:36829") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "polyatomic monoanion") -SubClassOf( ) -SubClassOf( ) - -# Class: (monoanion) - -AnnotationAssertion( "-1") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "monoanions") -AnnotationAssertion( "CHEBI:36830") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "monoanion") -SubClassOf( ) - -# Class: (hydrogen isocyanide) - -AnnotationAssertion( "0") -AnnotationAssertion( "CHN") -AnnotationAssertion( "InChI=1S/CHN/c1-2/h2H") -AnnotationAssertion( "QIUBLANJVAOHHY-UHFFFAOYSA-N") -AnnotationAssertion( "27.02538") -AnnotationAssertion( "27.01090") -AnnotationAssertion( "[C-]#[NH+]") -AnnotationAssertion(Annotation( "Beilstein") "Beilstein:2069401") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:6914-07-4") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:113") -AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "hydrogen isocyanide") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "nitriliomethanide") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "CNH") -AnnotationAssertion(Annotation( "IUPAC") "HN(+)#C(-)") -AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "HNC") -AnnotationAssertion(Annotation( "ChEBI") "hydroisocyanic acid") -AnnotationAssertion( "CHEBI:36856") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "hydrogen isocyanide") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (diatomic fluorine) - -AnnotationAssertion( "0") -AnnotationAssertion( "F2") -AnnotationAssertion( "37.997") -AnnotationAssertion( "37.99681") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion( "CHEBI:36890") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "diatomic fluorine") -SubClassOf( ) - -# Class: (elemental fluorine) - -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion( "CHEBI:36892") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "elemental fluorine") -SubClassOf( ) - -# Class: (elemental bromine) - -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion( "CHEBI:36894") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "elemental bromine") -SubClassOf( ) - -# Class: (monoatomic fluorine) - -AnnotationAssertion( "0") -AnnotationAssertion( "F") -AnnotationAssertion( "18.998") -AnnotationAssertion( "18.99840") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "atomic fluorine") -AnnotationAssertion( "CHEBI:36895") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "monoatomic fluorine") -SubClassOf( ) - -# Class: (monoatomic bromine) - -AnnotationAssertion( "0") -AnnotationAssertion( "Br") -AnnotationAssertion( "79.904") -AnnotationAssertion( "78.91834") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "atomic bromine") -AnnotationAssertion( "CHEBI:36896") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "monoatomic bromine") -SubClassOf( ) - -# Class: (chalcogen hydride) - -AnnotationAssertion(Annotation( "ChEBI") "chalcogen hydride") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "chalcogen hydrides") -AnnotationAssertion( "CHEBI:36902") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "chalcogen hydride") -SubClassOf( ) -SubClassOf( ) - -# Class: (xenon molecular entity) - -AnnotationAssertion(Annotation( "ChEBI") "xenon molecular entity") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "xenon compounds") -AnnotationAssertion(Annotation( "ChEBI") "xenon molecular entities") -AnnotationAssertion( "CHEBI:36910") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "xenon molecular entity") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (inorganic ion) - -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "inorganic ions") -AnnotationAssertion( "CHEBI:36914") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "inorganic ion") -SubClassOf( ) -SubClassOf( ) - -# Class: (inorganic cation) - -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "inorganic cations") -AnnotationAssertion( "CHEBI:36915") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "inorganic cation") -SubClassOf( ) -SubClassOf( ) - -# Class: (cation) - -AnnotationAssertion( "A monoatomic or polyatomic species having one or more elementary charges of the proton.") -AnnotationAssertion( "CHEBI:23058") -AnnotationAssertion( "CHEBI:3473") -AnnotationAssertion( "KEGG:C01373") -AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Cation") -AnnotationAssertion(Annotation( "ChEBI") "cation") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "cation") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "Kation") -AnnotationAssertion(Annotation( "ChEBI") "Kationen") -AnnotationAssertion(Annotation( "ChEBI") "cationes") -AnnotationAssertion(Annotation( "ChEBI") "cations") -AnnotationAssertion( "CHEBI:36916") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "cation") -SubClassOf( ) - -# Class: (antimony molecular entity) - -AnnotationAssertion(Annotation( "ChEBI") "antimony molecular entity") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "antimony compounds") -AnnotationAssertion(Annotation( "ChEBI") "antimony molecular entities") -AnnotationAssertion( "CHEBI:36919") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "antimony molecular entity") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (elemental antimony) - -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion( "CHEBI:36922") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "elemental antimony") -SubClassOf( ) +SubClassOf( ) +SubClassOf( ) # Class: (carbon-13 atom) @@ -9728,15 +2096,18 @@ AnnotationAssertion(Annotation( "CHEBI:36928") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "carbon-13 atom") -SubClassOf( ) +SubClassOf( ) # Class: (nitrogen-15 atom) AnnotationAssertion( "The stable isotope of nitrogen with relative atomic mass 15.000109. The least abundant (0.368 atom percent) isotope of naturally occurring nitrogen.") AnnotationAssertion( "0") -AnnotationAssertion( "N") -AnnotationAssertion( "14.007") -AnnotationAssertion( "14.00307") +AnnotationAssertion( "[15N]") +AnnotationAssertion( "InChI=1S/N/i1+1") +AnnotationAssertion( "QJGQUHMNIGDVPM-OUBTZVSYSA-N") +AnnotationAssertion( "15.000") +AnnotationAssertion( "15.00011") +AnnotationAssertion( "[15N]") AnnotationAssertion(Annotation( "ChemIDplus") "CAS:14390-96-6") AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "nitrogen-15") AnnotationAssertion( "chebi_ontology") @@ -9747,15 +2118,18 @@ AnnotationAssertion(Annotation( "CHEBI:36934") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "nitrogen-15 atom") -SubClassOf( ) +SubClassOf( ) # Class: (nitrogen-14 atom) AnnotationAssertion( "The stable isotope of nitrogen with relative atomic mass 14.003074. The most abundant (99.63 atom percent) isotope of naturally occurring nitrogen.") AnnotationAssertion( "0") -AnnotationAssertion( "N") -AnnotationAssertion( "14.007") +AnnotationAssertion( "[14N]") +AnnotationAssertion( "InChI=1S/N/i1+0") +AnnotationAssertion( "QJGQUHMNIGDVPM-IGMARMGPSA-N") +AnnotationAssertion( "14.003") AnnotationAssertion( "14.00307") +AnnotationAssertion( "[14N]") AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "nitrogen-14") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "IUPAC") "(14)7N") @@ -9764,7 +2138,7 @@ AnnotationAssertion(Annotation( "CHEBI:36938") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "nitrogen-14 atom") -SubClassOf( ) +SubClassOf( ) # Class: (fluorine-19 atom) @@ -9784,273 +2158,7 @@ AnnotationAssertion(Annotation( "CHEBI:36940") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "fluorine-19 atom") -SubClassOf( ) - -# Class: (organochalcogen compound) - -AnnotationAssertion( "An organochalcogen compound is a compound containing at least one carbon-chalcogen bond.") -AnnotationAssertion(Annotation( "ChEBI") "organochalcogen compound") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "organochalcogen compounds") -AnnotationAssertion( "CHEBI:36962") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "organochalcogen compound") -SubClassOf( ) -SubClassOf( ) - -# Class: (organooxygen compound) - -AnnotationAssertion( "An organochalcogen compound containing at least one carbon-oxygen bond.") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:17586126") -AnnotationAssertion(Annotation( "ChEBI") "organooxygen compound") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "organooxygen compounds") -AnnotationAssertion( "CHEBI:36963") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "organooxygen compound") -SubClassOf( ) -SubClassOf( ) - -# Class: (amino-acid anion) - -AnnotationAssertion(Annotation( "ChEBI") "amino-acid anion") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "amino acid anions") -AnnotationAssertion(Annotation( "ChEBI") "amino-acid anions") -AnnotationAssertion( "CHEBI:37022") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "amino-acid anion") -SubClassOf( ) -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (thallium molecular entity) - -AnnotationAssertion(Annotation( "ChEBI") "thallium molecular entity") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "thallium compounds") -AnnotationAssertion(Annotation( "ChEBI") "thallium molecular entities") -AnnotationAssertion( "CHEBI:37110") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "thallium molecular entity") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (organofluorine compound) - -AnnotationAssertion( "An organofluorine compound is a compound containing at least one carbon-fluorine bond.") -AnnotationAssertion( "0") -AnnotationAssertion( "FR") -AnnotationAssertion( "18.998") -AnnotationAssertion( "18.99840") -AnnotationAssertion( "*F") -AnnotationAssertion( "MetaCyc:Fluorides") -AnnotationAssertion(Annotation( "ChEBI") "organofluorine compound") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "fluoroorganic compound") -AnnotationAssertion(Annotation( "ChEBI") "fluoroorganic compounds") -AnnotationAssertion(Annotation( "ChEBI") "fluoroorganics") -AnnotationAssertion(Annotation( "ChEBI") "fluororganische Verbindungen") -AnnotationAssertion(Annotation( "ChEBI") "organofluorine compounds") -AnnotationAssertion( "CHEBI:37143") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "organofluorine compound") -SubClassOf( ) -SubClassOf( ) - -# Class: (organic hydride) - -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "organic hydrides") -AnnotationAssertion( "CHEBI:37175") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "organic hydride") -SubClassOf( ) - -# Class: (mononuclear parent hydride) - -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "mononuclear parent hydrides") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "mononuclear hydride") -AnnotationAssertion(Annotation( "IUPAC") "mononuclear hydrides") -AnnotationAssertion( "CHEBI:37176") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "mononuclear parent hydride") -SubClassOf( ) - -# Class: (yttrium molecular entity) - -AnnotationAssertion(Annotation( "ChEBI") "yttrium molecular entity") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "yttrium compounds") -AnnotationAssertion(Annotation( "ChEBI") "yttrium molecular entities") -AnnotationAssertion( "CHEBI:37203") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "yttrium molecular entity") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (elemental sodium) - -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion( "CHEBI:37246") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "elemental sodium") -SubClassOf( ) - -# Class: (elemental potassium) - -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion( "CHEBI:37247") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "elemental potassium") -SubClassOf( ) - -# Class: (diagnostic imaging agent) - -AnnotationAssertion( "A substance administered to enhance contrast in images of the inside of the body obtained using X-rays, gamma-rays, sound waves, radio waves (MRI), or radioactive particles in order to diagnose disease.") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion( "CHEBI:37334") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "diagnostic imaging agent") -SubClassOf( ) - -# Class: (ultrasound contrast agent) - -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion( "CHEBI:37337") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "ultrasound contrast agent") -SubClassOf( ) - -# Class: (cyclic ether) - -AnnotationAssertion( "Any ether in which the oxygen atom forms part of a ring.") -AnnotationAssertion( "CHEBI:37406") -AnnotationAssertion(Annotation( "IUPAC") "cyclic ether") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "cyclic ethers") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "epoxy compounds") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "cyclic ethers") -AnnotationAssertion(Annotation( "ChEBI") "epoxy compounds") -AnnotationAssertion( "CHEBI:37407") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "cyclic ether") -SubClassOf( ) -SubClassOf( ) - -# Class: (acid) - -AnnotationAssertion( "An acid is a molecular entity capable of donating a hydron (Bronsted acid) or capable of forming a covalent bond with an electron pair (Lewis acid).") -AnnotationAssertion( "CHEBI:13800") -AnnotationAssertion( "CHEBI:13801") -AnnotationAssertion( "CHEBI:22209") -AnnotationAssertion( "CHEBI:2426") -AnnotationAssertion( "KEGG:C00174") -AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Acid") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "acid") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "Saeure") -AnnotationAssertion(Annotation( "ChEBI") "Saeuren") -AnnotationAssertion(Annotation( "IUPAC") "acide") -AnnotationAssertion(Annotation( "ChEBI") "acido") -AnnotationAssertion(Annotation( "ChEBI") "acids") -AnnotationAssertion( "CHEBI:37527") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "acid") -SubClassOf( ) - -# Class: (trialkyl phosphate) - -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "trialkyl phosphates") -AnnotationAssertion( "CHEBI:37562") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "trialkyl phosphate") -SubClassOf( ) - -# Class: (heteroatomic molecular entity) - -AnnotationAssertion( "A molecular entity consisting of two or more chemical elements.") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "chemical compound") -AnnotationAssertion(Annotation( "ChEBI") "heteroatomic molecular entities") -AnnotationAssertion( "CHEBI:37577") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "heteroatomic molecular entity") -SubClassOf( ) - -# Class: (halide) - -AnnotationAssertion( "Any heteroatomic molecular entity that is a chemical compound of halogen with other chemical elements.") -AnnotationAssertion( "Wikipedia:Halide") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "halides") -AnnotationAssertion( "CHEBI:37578") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "halide") -SubClassOf( ) -SubClassOf( ) - -# Class: (carboxamide) - -AnnotationAssertion( "An amide of a carboxylic acid, having the structure RC(=O)NR2. The term is used as a suffix in systematic name formation to denote the -C(=O)NH2 group including its carbon atom.") -AnnotationAssertion( "0") -AnnotationAssertion( "CNOR3") -AnnotationAssertion( "42.01680") -AnnotationAssertion( "41.99799") -AnnotationAssertion( "[*]C(=O)N([*])[*]") -AnnotationAssertion( "CHEBI:35354") -AnnotationAssertion( "CHEBI:35355") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "carboxamides") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "carboxamides") -AnnotationAssertion(Annotation( "ChEBI") "primary carboxamide") -AnnotationAssertion( "CHEBI:37622") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "carboxamide") -SubClassOf( ) -SubClassOf( ) -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (phosphoric ester) - -AnnotationAssertion( "CHEBI:26019") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion( "CHEBI:37734") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "phosphoric ester") -SubClassOf( ) -SubClassOf( ) - -# Class: (carboacyl group) - -AnnotationAssertion( "A carboacyl group is a group formed by loss of at least one OH from the carboxy group of a carboxylic acid.") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "carboacyl groups") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "carboxylic acyl group") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "IUPAC") "carboxylic acyl groups") -AnnotationAssertion( "CHEBI:37838") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "carboacyl group") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (dye) - -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "Farbstoff") -AnnotationAssertion(Annotation( "ChEBI") "Farbstoffe") -AnnotationAssertion(Annotation( "ChEBI") "colorante") -AnnotationAssertion(Annotation( "ChEBI") "colorantes") -AnnotationAssertion(Annotation( "ChEBI") "dyes") -AnnotationAssertion(Annotation( "ChEBI") "teinture") -AnnotationAssertion(Annotation( "ChEBI") "teintures") -AnnotationAssertion( "CHEBI:37958") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "dye") -SubClassOf( ) +SubClassOf( ) # Class: (aluminium-27 atom) @@ -10072,7 +2180,7 @@ AnnotationAssertion(Annotation( "CHEBI:37968") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "aluminium-27 atom") -SubClassOf( ) +SubClassOf( ) # Class: (phosphorus-31 atom) @@ -10092,7 +2200,7 @@ AnnotationAssertion(Annotation( "CHEBI:37971") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "phosphorus-31 atom") -SubClassOf( ) +SubClassOf( ) # Class: (silicon-29 atom) @@ -10112,7 +2220,7 @@ AnnotationAssertion(Annotation( "CHEBI:37974") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "silicon-29 atom") -SubClassOf( ) +SubClassOf( ) # Class: (sulfur-33 atom) @@ -10135,50 +2243,7 @@ AnnotationAssertion(Annotation( "CHEBI:37980") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "sulfur-33 atom") -SubClassOf( ) - -# Class: (organonitrogen heterocyclic compound) - -AnnotationAssertion( "Any organonitrogen compound containing a cyclic component with nitrogen and at least one other element as ring member atoms.") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "heterocyclic organonitrogen compounds") -AnnotationAssertion(Annotation( "ChEBI") "organonitrogen heterocyclic compounds") -AnnotationAssertion( "CHEBI:38101") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "organonitrogen heterocyclic compound") -SubClassOf( ) -SubClassOf( ) - -# Class: (oxacycle) - -AnnotationAssertion( "Any organic heterocyclic compound containing at least one ring oxygen atom.") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:17134300") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "heterocyclic organooxygen compounds") -AnnotationAssertion(Annotation( "ChEBI") "organooxygen heterocyclic compounds") -AnnotationAssertion(Annotation( "ChEBI") "oxacycles") -AnnotationAssertion( "CHEBI:38104") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "oxacycle") -SubClassOf( ) -SubClassOf( ) - -# Class: (monocyclic heteroarene) - -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "monocyclic heteroarenes") -AnnotationAssertion( "CHEBI:38179") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "monocyclic heteroarene") -SubClassOf( ) - -# Class: (hydrocarbyl anion) - -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion( "CHEBI:38222") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "hydrocarbyl anion") -SubClassOf( ) +SubClassOf( ) # Class: (acetonitrile) @@ -10217,86 +2282,8 @@ AnnotationAssertion(Annotation( "CHEBI:38472") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "acetonitrile") -SubClassOf( ) -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (electron-transport chain inhibitor) - -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion( "CHEBI:38496") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "electron-transport chain inhibitor") -SubClassOf( ) - -# Class: (respiratory-chain inhibitor) - -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion( "CHEBI:38497") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "respiratory-chain inhibitor") -SubClassOf( ) - -# Class: (EC 1.9.3.1 (cytochrome c oxidase) inhibitor) - -AnnotationAssertion( "An EC 1.9.3.* (oxidoreductase acting on donor heme group, oxygen as acceptor) inhibitor that interferes with the action of cytochrome c oxidase (EC 1.9.3.1).") -AnnotationAssertion( "CHEBI:38501") -AnnotationAssertion( "CHEBI:62966") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:12969439") -AnnotationAssertion( "Wikipedia:Cytochrome_c_oxidase") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "CcO inhibitor") -AnnotationAssertion(Annotation( "ChEBI") "EC 1.9.3.1 (cytochrome c oxidase) inhibitors") -AnnotationAssertion(Annotation( "ChEBI") "EC 1.9.3.1 inhibitor") -AnnotationAssertion(Annotation( "ChEBI") "EC 1.9.3.1 inhibitors") -AnnotationAssertion(Annotation( "ChEBI") "NADH cytochrome c oxidase inhibitor") -AnnotationAssertion(Annotation( "ChEBI") "NADH cytochrome c oxidase inhibitors") -AnnotationAssertion(Annotation( "ChEBI") "Warburg's respiratory enzyme inhibitor") -AnnotationAssertion(Annotation( "ChEBI") "Warburg's respiratory enzyme inhibitors") -AnnotationAssertion(Annotation( "ChEBI") "complex IV (mitochondrial electron transport) inhibitor") -AnnotationAssertion(Annotation( "ChEBI") "complex IV (mitochondrial electron transport) inhibitors") -AnnotationAssertion(Annotation( "ChEBI") "cytochrome a3 inhibitor") -AnnotationAssertion(Annotation( "ChEBI") "cytochrome a3 inhibitors") -AnnotationAssertion(Annotation( "ChEBI") "cytochrome aa3 inhibitor") -AnnotationAssertion(Annotation( "ChEBI") "cytochrome aa3 inhibitors") -AnnotationAssertion(Annotation( "ChEBI") "cytochrome c oxidase (EC 1.9.3.1) inhibitor") -AnnotationAssertion(Annotation( "ChEBI") "cytochrome c oxidase (EC 1.9.3.1) inhibitors") -AnnotationAssertion(Annotation( "ChEBI") "cytochrome c oxidase inhibitor") -AnnotationAssertion(Annotation( "ChEBI") "cytochrome c oxidase inhibitors") -AnnotationAssertion(Annotation( "ChEBI") "cytochrome oxidase inhibitor") -AnnotationAssertion(Annotation( "ChEBI") "cytochrome oxidase inhibitors") -AnnotationAssertion(Annotation( "ChEBI") "cytochrome-c oxidase inhibitor") -AnnotationAssertion(Annotation( "ChEBI") "cytochrome-c oxidase inhibitors") -AnnotationAssertion(Annotation( "ChEBI") "ferrocytochrome c oxidase inhibitor") -AnnotationAssertion(Annotation( "ChEBI") "ferrocytochrome c oxidase inhibitors") -AnnotationAssertion(Annotation( "ChEBI") "ferrocytochrome-c:oxygen oxidoreductase inhibitor") -AnnotationAssertion(Annotation( "ChEBI") "ferrocytochrome-c:oxygen oxidoreductase inhibitors") -AnnotationAssertion(Annotation( "ChEBI") "indophenol oxidase inhibitor") -AnnotationAssertion(Annotation( "ChEBI") "indophenol oxidase inhibitors") -AnnotationAssertion(Annotation( "ChEBI") "indophenolase inhibitor") -AnnotationAssertion(Annotation( "ChEBI") "indophenolase inhibitors") -AnnotationAssertion(Annotation( "ChEBI") "mitochondrial complex IV inhibitor") -AnnotationAssertion(Annotation( "ChEBI") "mitochondrial complex IV inhibitors") -AnnotationAssertion(Annotation( "ChEBI") "mitochondrial cytochrome-c oxidase inhibitors") -AnnotationAssertion( "CHEBI:38500") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "EC 1.9.3.1 (cytochrome c oxidase) inhibitor") -SubClassOf( ) -SubClassOf( ) - -# Class: (difluorobenzene) - -AnnotationAssertion( "Any member of the class of fluorobenzenes containing a mono- or poly-substituted benzene ring carrying two fluorine atoms.") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "difluorobenzene") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "Difluorbenzol") -AnnotationAssertion(Annotation( "ChEBI") "difluorobenzenes") -AnnotationAssertion( "CHEBI:38582") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "difluorobenzene") -SubClassOf( ) +SubClassOf( ) +SubClassOf( ) # Class: (1,4-difluorobenzene) @@ -10319,8 +2306,8 @@ AnnotationAssertion(Annotation( "CHEBI:38585") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "1,4-difluorobenzene") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) +SubClassOf( ) +SubClassOf( ) # Class: (hexafluorobenzene) @@ -10357,207 +2344,9 @@ AnnotationAssertion(Annotation( "CHEBI:38589") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "hexafluorobenzene") -SubClassOf( ) -SubClassOf( ) +SubClassOf( ) +SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (organic sodium salt) - -AnnotationAssertion(Annotation( "ChEBI") "organic sodium salt") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "organic sodium salts") -AnnotationAssertion( "CHEBI:38700") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "organic sodium salt") -SubClassOf( ) -SubClassOf( ) - -# Class: (inorganic sodium salt) - -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "inorganic sodium salts") -AnnotationAssertion( "CHEBI:38702") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "inorganic sodium salt") -SubClassOf( ) -SubClassOf( ) - -# Class: (morpholines) - -AnnotationAssertion( "Any compound containing morpholine as part of its structure.") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion( "CHEBI:38785") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "morpholines") -SubClassOf( ) - -# Class: (fluorocarbon) - -AnnotationAssertion( "Compounds consisting wholly of fluorine and carbon.") -AnnotationAssertion(Annotation( "ChEBI") "fluorocarbon") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "fluorocarbons") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "fluorocarbons") -AnnotationAssertion( "CHEBI:38824") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "fluorocarbon") -SubClassOf( ) - -# Class: (tetrafluoromethane) - -AnnotationAssertion( "0") -AnnotationAssertion( "CF4") -AnnotationAssertion( "InChI=1S/CF4/c2-1(3,4)5") -AnnotationAssertion( "TXEYQDLBPFQVAA-UHFFFAOYSA-N") -AnnotationAssertion( "88.00431") -AnnotationAssertion( "87.99361") -AnnotationAssertion( "FC(F)(F)F") -AnnotationAssertion(Annotation( "Beilstein") "Beilstein:1697288") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:75-73-0") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:75-73-0") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:2016") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "tetrafluoromethane") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "IUPAC") "CF4") -AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "Freon 14") -AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "Halon 14") -AnnotationAssertion(Annotation( "ChEBI") "Tetrafluorkohlenstoff") -AnnotationAssertion(Annotation( "ChEBI") "Tetrafluormethan") -AnnotationAssertion(Annotation( "ChemIDplus") "carbon tetrafluoride") -AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "perfluoromethane") -AnnotationAssertion(Annotation( "IUPAC") "tetrafluoridocarbon") -AnnotationAssertion(Annotation( "ChemIDplus") "tetrafluorocarbon") -AnnotationAssertion( "CHEBI:38825") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "tetrafluoromethane") -SubClassOf( ) -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (boron halide) - -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion( "CHEBI:38900") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "boron halide") -SubClassOf( ) - -# Class: (boron fluoride) - -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion( "CHEBI:38901") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "boron fluoride") -SubClassOf( ) - -# Class: (methylbenzene) - -AnnotationAssertion( "Any alkylbenzene that is benzene substituted with one or more methyl groups.") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "methylbenzenes") -AnnotationAssertion( "CHEBI:38975") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "methylbenzene") -SubClassOf( ) - -# Class: (alkylbenzene) - -AnnotationAssertion( "A monocyclic arene that is benzene substituted with one or more alkyl groups.") -AnnotationAssertion(Annotation( "ChEBI") "alkylbenzene") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "Alkylbenzol") -AnnotationAssertion(Annotation( "ChEBI") "alkylbenzenes") -AnnotationAssertion( "CHEBI:38976") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "alkylbenzene") -SubClassOf( ) -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (Bronsted acid) - -AnnotationAssertion( "A molecular entity capable of donating a hydron to an acceptor (Bronsted base).") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "Bronsted acid") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "Bronsted-Saeure") -AnnotationAssertion(Annotation( "IUPAC") "acide de Bronsted") -AnnotationAssertion(Annotation( "IUPAC") "donneur d'hydron") -AnnotationAssertion(Annotation( "IUPAC") "hydron donor") -AnnotationAssertion( "CHEBI:39141") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "Bronsted acid") -SubClassOf( ) -SubClassOf( ) - -# Class: (Bronsted base) - -AnnotationAssertion( "A molecular entity capable of accepting a hydron from a donor (Bronsted acid).") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "Bronsted base") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "Bronsted-Base") -AnnotationAssertion(Annotation( "IUPAC") "accepteur d'hydron") -AnnotationAssertion(Annotation( "IUPAC") "base de Bronsted") -AnnotationAssertion(Annotation( "IUPAC") "hydron acceptor") -AnnotationAssertion( "CHEBI:39142") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "Bronsted base") -SubClassOf( ) -SubClassOf( ) - -# Class: (Lewis acid) - -AnnotationAssertion( "A molecular entity that is an electron-pair acceptor and therefore able to form a covalent bond with an electron-pair donor (Lewis base), thereby producing a Lewis adduct.") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "Lewis acid") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "Lewis-Saeure") -AnnotationAssertion(Annotation( "IUPAC") "accepteur d'une paire d'electrons") -AnnotationAssertion(Annotation( "IUPAC") "acide de Lewis") -AnnotationAssertion(Annotation( "ChEBI") "electron acceptor") -AnnotationAssertion(Annotation( "IUPAC") "electron-pair acceptor") -AnnotationAssertion( "CHEBI:39143") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "Lewis acid") -SubClassOf( ) -SubClassOf( ) - -# Class: (Lewis base) - -AnnotationAssertion( "A molecular entity able to provide a pair of electrons and thus capable of forming a covalent bond with an electron-pair acceptor (Lewis acid), thereby producing a Lewis adduct.") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "Lewis base") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "Lewis-Base") -AnnotationAssertion(Annotation( "IUPAC") "base de Lewis") -AnnotationAssertion(Annotation( "ChEBI") "donneur d'une paire d'electrons") -AnnotationAssertion(Annotation( "ChEBI") "electron donor") -AnnotationAssertion( "CHEBI:39144") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "Lewis base") -SubClassOf( ) -SubClassOf( ) - -# Class: (halomethane) - -AnnotationAssertion( "A haloalkane that is methane in which one (or more) of the hydrogens have been replaced by a halogen atom/halogen atoms.") -AnnotationAssertion(Annotation( "ChEBI") "halomethane") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "halomethanes") -AnnotationAssertion( "CHEBI:39279") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "halomethane") -SubClassOf( ) -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (fluoromethanes) - -AnnotationAssertion( "A halomethane that is methane in which one or more hydrogens has been replaced by fluorine.") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion( "CHEBI:39281") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "fluoromethanes") -SubClassOf( ) -SubClassOf( ) # Class: (hexafluoroacetone) @@ -10569,7 +2358,6 @@ AnnotationAssertion( "166.02192") AnnotationAssertion( "165.98533") AnnotationAssertion( "FC(F)(F)C(=O)C(F)(F)F") -AnnotationAssertion(Annotation( "Beilstein") "Beilstein:607236") AnnotationAssertion(Annotation( "ChemIDplus") "CAS:684-16-2") AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:684-16-2") AnnotationAssertion(Annotation( "Gmelin") "Gmelin:27263") @@ -10590,72 +2378,8 @@ AnnotationAssertion(Annotation( "CHEBI:39429") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "hexafluoroacetone") -SubClassOf( ) -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (dihydrogenphosphate) - -AnnotationAssertion( "A monovalent inorganic anion that consists of phosphoric acid in which one of the three OH groups has been deprotonated.") -AnnotationAssertion( "-1") -AnnotationAssertion( "H2O4P") -AnnotationAssertion( "InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-1") -AnnotationAssertion( "NBIIXXVUZAFLBC-UHFFFAOYSA-M") -AnnotationAssertion( "96.98724") -AnnotationAssertion( "96.96962") -AnnotationAssertion( "[H]OP([O-])(=O)O[H]") -AnnotationAssertion( "CHEBI:29137") -AnnotationAssertion( "CHEBI:39739") -AnnotationAssertion( "DrugBank:DB02831") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:1999") -AnnotationAssertion( "PDBeChem:2HP") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "dihydrogen(tetraoxidophosphate)(1-)") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "dihydrogenphosphate") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "dihydrogentetraoxophosphate(1-)") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "dihydrogentetraoxophosphate(V)") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "dihydroxidodioxidophosphate(1-)") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "PDBeChem") "DIHYDROGENPHOSPHATE ION") -AnnotationAssertion(Annotation( "IUPAC") "H2PO4(-)") -AnnotationAssertion(Annotation( "IUPAC") "[PO2(OH)2](-)") -AnnotationAssertion( "CHEBI:39745") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "dihydrogenphosphate") -SubClassOf( ) -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (fluoroform) - -AnnotationAssertion( "0") -AnnotationAssertion( "CHF3") -AnnotationAssertion( "InChI=1S/CHF3/c2-1(3)4/h1H") -AnnotationAssertion( "XPDWGBQVDMORPB-UHFFFAOYSA-N") -AnnotationAssertion( "70.01385") -AnnotationAssertion( "70.00303") -AnnotationAssertion( "[H]C(F)(F)F") -AnnotationAssertion( "CHEBI:24073") -AnnotationAssertion( "CHEBI:41543") -AnnotationAssertion(Annotation( "Beilstein") "Beilstein:1731035") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:75-46-7") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:75-46-7") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:1543") -AnnotationAssertion( "PDBeChem:CFT") -AnnotationAssertion(Annotation( "UM-BBD") "UM-BBD_compID:c0802") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "fluoroform") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "IUPAC") "CHF3") -AnnotationAssertion(Annotation( "ChemIDplus") "Freon 23") -AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "Freon F-23") -AnnotationAssertion(Annotation( "PDBeChem") "TRIFLUOROMETHANE") -AnnotationAssertion(Annotation( "UM-BBD") "carbon trifluoride") -AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "methyl trifluoride") -AnnotationAssertion( "CHEBI:41550") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "fluoroform") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) +SubClassOf( ) +SubClassOf( ) # Class: (dideuterium oxide) @@ -10686,113 +2410,13 @@ AnnotationAssertion(Annotation( "CHEBI:41981") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "dideuterium oxide") -SubClassOf( ) +SubClassOf( ) +SubClassOf( ) +SubClassOf( ) SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) -# Class: (ethane) - -AnnotationAssertion( "An alkane comprising of two carbon atoms.") -AnnotationAssertion( "0") -AnnotationAssertion( "C2H6") -AnnotationAssertion( "InChI=1S/C2H6/c1-2/h1-2H3") -AnnotationAssertion( "OTMSDBZUPAUEDD-UHFFFAOYSA-N") -AnnotationAssertion( "30.06904") -AnnotationAssertion( "30.04695") -AnnotationAssertion( "CC") -AnnotationAssertion( "CHEBI:23975") -AnnotationAssertion( "CHEBI:42260") -AnnotationAssertion(Annotation( "Beilstein") "Beilstein:1730716") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:74-84-0") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:74-84-0") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:212") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:12826252") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:14664856") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:16236899") -AnnotationAssertion(Annotation( "Reaxys") "Reaxys:1730716") -AnnotationAssertion( "Wikipedia:Ethane") -AnnotationAssertion(Annotation( "PDBeChem") "ETHANE") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "ethane") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "Aethan") -AnnotationAssertion(Annotation( "ChEBI") "C2H6") -AnnotationAssertion(Annotation( "IUPAC") "CH3-CH3") -AnnotationAssertion(Annotation( "ChEBI") "Ethan") -AnnotationAssertion(Annotation( "ChEBI") "R-170") -AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "bimethyl") -AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "dimethyl") -AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "ethyl hydride") -AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "methylmethane") -AnnotationAssertion( "CHEBI:42266") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "ethane") -SubClassOf( ) -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (hydroxy group) - -AnnotationAssertion( "0") -AnnotationAssertion( "HO") -AnnotationAssertion( "17.00734") -AnnotationAssertion( "17.00274") -AnnotationAssertion( "*O[H]") -AnnotationAssertion( "CHEBI:24706") -AnnotationAssertion( "CHEBI:43171") -AnnotationAssertion( "PDBeChem:OH") -AnnotationAssertion(Annotation( "PDBeChem") "HYDROXY GROUP") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "hydroxy") -AnnotationAssertion(Annotation( "UniProt") "hydroxy group") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "IUPAC") "-OH") -AnnotationAssertion(Annotation( "ChEBI") "hydroxyl") -AnnotationAssertion(Annotation( "ChEBI") "hydroxyl group") -AnnotationAssertion( "CHEBI:43176") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "hydroxy group") -SubClassOf( ) - -# Class: (hydrogenphosphate) - -AnnotationAssertion( "A phosphate ion that is the conjugate base of dihydrogenphosphate.") -AnnotationAssertion( "-2") -AnnotationAssertion( "HO4P") -AnnotationAssertion( "InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-2") -AnnotationAssertion( "NBIIXXVUZAFLBC-UHFFFAOYSA-L") -AnnotationAssertion( "95.97930") -AnnotationAssertion( "95.96234") -AnnotationAssertion( "OP([O-])([O-])=O") -AnnotationAssertion( "CHEBI:29139") -AnnotationAssertion( "CHEBI:43470") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:1998") -AnnotationAssertion( "MolBase:1628") -AnnotationAssertion( "PDBeChem:PI") -AnnotationAssertion( "PDBeChem:PO4") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "hydrogen(tetraoxidophosphate)(2-)") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "hydrogenphosphate") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "hydrogentetraoxophosphate(2-)") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "hydrogentetraoxophosphate(V)") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "hydroxidotrioxidophosphate(2-)") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "IUPAC") "HPO4(2-)") -AnnotationAssertion(Annotation( "PDBeChem") "HYDROGENPHOSPHATE ION") -AnnotationAssertion(Annotation( "PDBeChem") "INORGANIC PHOSPHATE GROUP") -AnnotationAssertion(Annotation( "MolBase") "[P(OH)O3](2-)") -AnnotationAssertion(Annotation( "IUPAC") "[PO3(OH)](2-)") -AnnotationAssertion(Annotation( "ChEBI") "hydrogen phosphate") -AnnotationAssertion(Annotation( "UniProt") "phosphate") -AnnotationAssertion( "CHEBI:43474") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "hydrogenphosphate") -SubClassOf( ) -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) - # Class: (trifluoroacetic acid) AnnotationAssertion( "A monocarboxylic acid that is the trifluoro derivative of acetic acid.") @@ -10804,7 +2428,6 @@ AnnotationAssertion( "113.99286") AnnotationAssertion( "OC(=O)C(F)(F)F") AnnotationAssertion( "CHEBI:27111") -AnnotationAssertion(Annotation( "Beilstein") "Beilstein:742035") AnnotationAssertion(Annotation( "ChemIDplus") "CAS:76-05-1") AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:76-05-1") AnnotationAssertion(Annotation( "Gmelin") "Gmelin:2729") @@ -10823,47 +2446,8 @@ AnnotationAssertion(Annotation( "CHEBI:45892") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "trifluoroacetic acid") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (tetramethylammonium) - -AnnotationAssertion( "The simplest quaternary ammonium cation, comprising a central nitrogen linked to four methyl groups.") -AnnotationAssertion( "+1") -AnnotationAssertion( "C4H12N") -AnnotationAssertion( "InChI=1S/C4H12N/c1-5(2,3)4/h1-4H3/q+1") -AnnotationAssertion( "QEMXHQIAXOOASZ-UHFFFAOYSA-N") -AnnotationAssertion( "74.14482") -AnnotationAssertion( "74.09643") -AnnotationAssertion( "C[N+](C)(C)C") -AnnotationAssertion( "CHEBI:35264") -AnnotationAssertion( "CHEBI:46018") -AnnotationAssertion(Annotation( "Beilstein") "Beilstein:1733140") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:51-92-3") -AnnotationAssertion( "DrugBank:DB03095") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:1858") -AnnotationAssertion( "PDBeChem:TMA") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:10421447") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:10788331") -AnnotationAssertion(Annotation( "Reaxys") "Reaxys:1733140") -AnnotationAssertion( "Wikipedia:Tetramethylammonium") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "N,N,N-trimethylmethanaminium") -AnnotationAssertion(Annotation( "IUPAC") "tetramethylammonium") -AnnotationAssertion(Annotation( "UniProt") "tetramethylammonium") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "IUPAC") "(CH3)4N(+)") -AnnotationAssertion(Annotation( "PDBeChem") "TETRAMETHYLAMMONIUM ION") -AnnotationAssertion(Annotation( "ChEBI") "[NMe4](+)") -AnnotationAssertion(Annotation( "IUPAC") "tetramethylazanium") -AnnotationAssertion(Annotation( "ChemIDplus") "trimethylaminomethane") -AnnotationAssertion( "CHEBI:46020") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "tetramethylammonium") -SubClassOf( ) +SubClassOf( ) +SubClassOf( ) # Class: (dimethylselenide) @@ -10875,7 +2459,6 @@ AnnotationAssertion( "109.03000") AnnotationAssertion( "109.96347") AnnotationAssertion( "C[Se]C") -AnnotationAssertion(Annotation( "ChemIDplus") "Beilstein:1696848") AnnotationAssertion(Annotation( "ChemIDplus") "CAS:593-79-3") AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:593-79-3") AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:593-79-3") @@ -10906,10 +2489,8 @@ AnnotationAssertion(Annotation( "CHEBI:4610") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "dimethylselenide") -SubClassOf( ) +SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) # Class: (dimethyl telluride) @@ -10921,7 +2502,6 @@ AnnotationAssertion( "157.66904") AnnotationAssertion( "159.95317") AnnotationAssertion( "C[Te]C") -AnnotationAssertion(Annotation( "Beilstein") "Beilstein:1696849") AnnotationAssertion(Annotation( "ChemIDplus") "CAS:593-80-6") AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:593-80-6") AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:593-80-6") @@ -10941,9 +2521,8 @@ AnnotationAssertion(Annotation( "CHEBI:4613") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "dimethyl telluride") -SubClassOf( ) +SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) # Class: (trimethyl phosphate) @@ -10955,7 +2534,6 @@ AnnotationAssertion( "140.07492") AnnotationAssertion( "140.02385") AnnotationAssertion( "COP(=O)(OC)OC") -AnnotationAssertion(Annotation( "Beilstein") "Beilstein:1071731") AnnotationAssertion(Annotation( "ChemIDplus") "CAS:512-56-1") AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:512-56-1") AnnotationAssertion(Annotation( "Gmelin") "Gmelin:49926") @@ -10977,168 +2555,9 @@ AnnotationAssertion(Annotation( "CHEBI:46324") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "trimethyl phosphate") -SubClassOf( ) +SubClassOf( ) +SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (tungstate) - -AnnotationAssertion( "A divalent inorganic anion obtained by removal of both protons from tungstic acid.") -AnnotationAssertion( "-2") -AnnotationAssertion( "O4W") -AnnotationAssertion( "InChI=1S/4O.W/q;;2*-1;") -AnnotationAssertion( "PBYZMCDFOULPGH-UHFFFAOYSA-N") -AnnotationAssertion( "247.83760") -AnnotationAssertion( "247.93169") -AnnotationAssertion( "[O-][W]([O-])(=O)=O") -AnnotationAssertion( "CHEBI:30518") -AnnotationAssertion( "CHEBI:46497") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:14311-52-5") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:2540") -AnnotationAssertion( "MolBase:529") -AnnotationAssertion( "PDBeChem:WO4") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "tetraoxidotungstate(2-)") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "tetraoxidotungstate(VI)") -AnnotationAssertion(Annotation( "UniProt") "tungstate") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "PDBeChem") "TUNGSTATE(VI)ION") -AnnotationAssertion(Annotation( "ChEBI") "Wolframat") -AnnotationAssertion(Annotation( "MolBase") "[WO4](2-)") -AnnotationAssertion(Annotation( "ChEBI") "wolframate") -AnnotationAssertion( "CHEBI:46502") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "tungstate") -SubClassOf( ) -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (oxo group) - -AnnotationAssertion( "0") -AnnotationAssertion( "O") -AnnotationAssertion( "15.99940") -AnnotationAssertion( "15.99491") -AnnotationAssertion( "O=*") -AnnotationAssertion( "CHEBI:29353") -AnnotationAssertion( "CHEBI:44607") -AnnotationAssertion( "PDBeChem:O") -AnnotationAssertion(Annotation( "PDBeChem") "OXO GROUP") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "oxo") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "IUPAC") "=O") -AnnotationAssertion( "CHEBI:46629") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "oxo group") -SubClassOf( ) - -# Class: (mineral) - -AnnotationAssertion( "In general, a mineral is a chemical substance that is normally crystalline formed and has been formed as a result of geological processes. The term also includes metamict substances (naturally occurring, formerly crystalline substances whose crystallinity has been destroyed by ionising radiation) and can include naturally occurring amorphous substances that have never been crystalline ('mineraloids') such as georgite and calciouranoite as well as substances formed by the action of geological processes on bigenic compounds ('biogenic minerals').") -AnnotationAssertion( "Wikipedia:Mineral") -AnnotationAssertion(Annotation( "ChEBI") "mineral") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "Minerale") -AnnotationAssertion(Annotation( "ChEBI") "minerales") -AnnotationAssertion(Annotation( "ChEBI") "minerals") -AnnotationAssertion(Annotation( "ChEBI") "mineraux") -AnnotationAssertion( "CHEBI:46662") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "mineral") -SubClassOf( ) - -# Class: (fluorohydrocarbon) - -AnnotationAssertion( "A compound derived from a hydrocarbon by replacing one or more hydrogen atoms with fluorine atoms.") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "FKW") -AnnotationAssertion(Annotation( "ChEBI") "Fluorkohlenwasserstoffe") -AnnotationAssertion(Annotation( "ChEBI") "HFC") -AnnotationAssertion(Annotation( "ChEBI") "fluorohydrocarbons") -AnnotationAssertion( "CHEBI:46695") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "fluorohydrocarbon") -SubClassOf( ) -SubClassOf( ) - -# Class: (solvent) - -AnnotationAssertion( "A liquid that can dissolve other substances (solutes) without any change in their chemical composition.") -AnnotationAssertion( "Wikipedia:Solvent") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "Loesungsmittel") -AnnotationAssertion(Annotation( "ChEBI") "solvant") -AnnotationAssertion(Annotation( "ChEBI") "solvents") -AnnotationAssertion( "CHEBI:46787") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "solvent") -SubClassOf( ) -SubClassOf( ) - -# Class: (organoammonium salt) - -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "organoammonium salts") -AnnotationAssertion( "CHEBI:46850") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "organoammonium salt") -SubClassOf( ) - -# Class: (carboxy group) - -AnnotationAssertion( "0") -AnnotationAssertion( "CHO2") -AnnotationAssertion( "45.01744") -AnnotationAssertion( "44.99765") -AnnotationAssertion( "*C(=O)O") -AnnotationAssertion( "CHEBI:23025") -AnnotationAssertion( "CHEBI:41420") -AnnotationAssertion( "PDBeChem:FMT") -AnnotationAssertion(Annotation( "PDBeChem") "CARBOXY GROUP") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "carboxy") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "IUPAC") "-C(O)OH") -AnnotationAssertion(Annotation( "ChEBI") "-CO2H") -AnnotationAssertion(Annotation( "IUPAC") "-COOH") -AnnotationAssertion(Annotation( "ChEBI") "carboxyl group") -AnnotationAssertion( "CHEBI:46883") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "carboxy group") -SubClassOf( ) - -# Class: (dioxane) - -AnnotationAssertion( "Any member of the class of dioxanes that is a cyclohexane in which two carbon atoms are replaced by oxygen atoms.") -AnnotationAssertion( "0") -AnnotationAssertion( "C4H8O2") -AnnotationAssertion( "88.105") -AnnotationAssertion( "88.05243") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "dioxane") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion( "CHEBI:46923") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "dioxane") -SubClassOf( ) -SubClassOf( ) - -# Class: (dioxanes) - -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion( "CHEBI:46926") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "dioxanes") -SubClassOf( ) -SubClassOf( ) - -# Class: (oxazinane) - -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "oxazinanes") -AnnotationAssertion( "CHEBI:46952") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "oxazinane") -SubClassOf( ) -SubClassOf( ) -SubClassOf( ) # Class: (1,4-dioxane) @@ -11153,7 +2572,6 @@ AnnotationAssertion( "CHEBI:34064") AnnotationAssertion( "CHEBI:41951") AnnotationAssertion( "CHEBI:46925") -AnnotationAssertion(Annotation( "Beilstein") "Beilstein:102551") AnnotationAssertion(Annotation( "ChemIDplus") "CAS:123-91-1") AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:123-91-1") AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:123-91-1") @@ -11184,133 +2602,8 @@ AnnotationAssertion(Annotation( "CHEBI:47032") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "1,4-dioxane") -SubClassOf( ) -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (hydrogen bromide) - -AnnotationAssertion( "A diatomic molecule containing covalently bonded hydrogen and bromine atoms.") -AnnotationAssertion( "0") -AnnotationAssertion( "BrH") -AnnotationAssertion( "HBr") -AnnotationAssertion( "InChI=1S/BrH/h1H") -AnnotationAssertion( "CPELXLSAUQHCOX-UHFFFAOYSA-N") -AnnotationAssertion( "80.91194") -AnnotationAssertion( "79.92616") -AnnotationAssertion( "Br[H]") -AnnotationAssertion( "CHEBI:29134") -AnnotationAssertion( "CHEBI:31673") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:10035-10-6") -AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:10035-10-6") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:10035-10-6") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:620") -AnnotationAssertion( "KEGG:C13645") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "bromane") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "bromidohydrogen") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "hydrogen bromide") -AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "hydrogen bromide") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "Bromwasserstoff") -AnnotationAssertion(Annotation( "KEGG_COMPOUND") "HBr") -AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Hydrobromic acid") -AnnotationAssertion(Annotation( "ChEBI") "Hydrogenbromid") -AnnotationAssertion(Annotation( "IUPAC") "[HBr]") -AnnotationAssertion(Annotation( "ChEBI") "bromure d'hydrogene") -AnnotationAssertion( "CHEBI:47266") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "hydrogen bromide") -SubClassOf( ) -SubClassOf( ) -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (ammonium salt) - -AnnotationAssertion(Annotation( "ChEBI") "ammonium salt") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "Ammoniumsalz") -AnnotationAssertion(Annotation( "ChEBI") "Ammoniumsalze") -AnnotationAssertion(Annotation( "ChEBI") "ammonium salts") -AnnotationAssertion( "CHEBI:47704") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "ammonium salt") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (alkanesulfonic acid) - -AnnotationAssertion( "Organic derivatives of sulfonic acid in which the sulfo group is linked directly to carbon of an alkyl group.") -AnnotationAssertion( "CHEBI:13809") -AnnotationAssertion( "CHEBI:33553") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "alkanesulfonic acids") -AnnotationAssertion(Annotation( "ChEBI") "alkylsulfonic acids") -AnnotationAssertion( "CHEBI:47901") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "alkanesulfonic acid") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (nitric acid) - -AnnotationAssertion( "A nitrogen oxoacid of formula HNO3 in which the nitrogen atom is bonded to a hydroxy group and by equivalent bonds to the remaining two oxygen atoms.") -AnnotationAssertion( "0") -AnnotationAssertion( "HNO3") -AnnotationAssertion( "InChI=1S/HNO3/c2-1(3)4/h(H,2,3,4)") -AnnotationAssertion( "GRYLNZFGIOXLOG-UHFFFAOYSA-N") -AnnotationAssertion( "63.01280") -AnnotationAssertion( "62.99564") -AnnotationAssertion( "O[N+]([O-])=O") -AnnotationAssertion( "CHEBI:25545") -AnnotationAssertion( "CHEBI:7580") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:7697-37-2") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:7697-37-2") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:1576") -AnnotationAssertion( "KEGG:C00244") -AnnotationAssertion( "KEGG:D02313") -AnnotationAssertion( "MetaCyc:CPD-15028") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:22285512") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:23402861") -AnnotationAssertion(Annotation( "Reaxys") "Reaxys:3587310") -AnnotationAssertion( "Wikipedia:Nitric_acid") -AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Nitric acid") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "hydrogen trioxonitrate(1-)") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "hydroxidodioxidonitrogen") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "trioxonitric acid") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "IUPAC") "HNO3") -AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "HONO2") -AnnotationAssertion(Annotation( "ChemIDplus") "Salpetersaeure") -AnnotationAssertion(Annotation( "IUPAC") "[NO2(OH)]") -AnnotationAssertion(Annotation( "ChEBI") "acide azotique") -AnnotationAssertion(Annotation( "ChemIDplus") "acide nitrique") -AnnotationAssertion(Annotation( "ChemIDplus") "azotic acid") -AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "hydrogen nitrate") -AnnotationAssertion( "CHEBI:48107") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "nitric acid") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (sulfur oxide) - -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "Schwefeloxide") -AnnotationAssertion(Annotation( "ChEBI") "oxides of sulfur") -AnnotationAssertion(Annotation( "ChEBI") "sulfur oxides") -AnnotationAssertion( "CHEBI:48154") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "sulfur oxide") -SubClassOf( ) -SubClassOf( ) +SubClassOf( ) +SubClassOf( ) # Class: (trichlorofluoromethane) @@ -11322,7 +2615,6 @@ AnnotationAssertion( "137.36720") AnnotationAssertion( "135.90496") AnnotationAssertion( "FC(Cl)(Cl)Cl") -AnnotationAssertion(Annotation( "ChemIDplus") "Beilstein:1732469") AnnotationAssertion(Annotation( "ChemIDplus") "CAS:75-69-4") AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:75-69-4") AnnotationAssertion(Annotation( "Europe PMC") "PMID:1114326") @@ -11347,503 +2639,10 @@ AnnotationAssertion(Annotation( "CHEBI:48236") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "trichlorofluoromethane") -SubClassOf( ) -SubClassOf( ) +SubClassOf( ) +SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (polar solvent) - -AnnotationAssertion( "A solvent that is composed of polar molecules. Polar solvents can dissolve ionic compounds or ionisable covalent compounds.") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "polar solvent") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "polar solvents") -AnnotationAssertion( "CHEBI:48354") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "polar solvent") -SubClassOf( ) - -# Class: (non-polar solvent) - -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion( "CHEBI:48355") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "non-polar solvent") -SubClassOf( ) - -# Class: (protic solvent) - -AnnotationAssertion( "A polar solvent that is capable of acting as a hydron (proton) donor.") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "protogenic solvent") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion( "CHEBI:48356") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "protic solvent") -SubClassOf( ) -SubClassOf( ) - -# Class: (aprotic solvent) - -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion( "CHEBI:48357") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "aprotic solvent") -SubClassOf( ) - -# Class: (polar aprotic solvent) - -AnnotationAssertion( "A solvent with a comparatively high relative permittivity (or dielectric constant), greater than ca. 15, and a sizable permanent dipole moment, that cannot donate suitably labile hydrogen atoms to form strong hydrogen bonds.") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "dipolar aprotic solvent") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion( "CHEBI:48358") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "polar aprotic solvent") -SubClassOf( ) -SubClassOf( ) - -# Class: (protophilic solvent) - -AnnotationAssertion( "Solvent that is capable of acting as a hydron (proton) acceptor.") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "protophilic solvent") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "HBA solvent") -AnnotationAssertion(Annotation( "ChEBI") "hydrogen bond acceptor solvent") -AnnotationAssertion( "CHEBI:48359") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "protophilic solvent") -SubClassOf( ) -SubClassOf( ) - -# Class: (amphiprotic solvent) - -AnnotationAssertion( "Self-ionizing solvent possessing both characteristics of Bronsted acids and bases.") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "amphiprotic solvent") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion( "CHEBI:48360") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "amphiprotic solvent") -SubClassOf( ) -SubClassOf( ) - -# Class: (cyano group) - -AnnotationAssertion( "0") -AnnotationAssertion( "CN") -AnnotationAssertion( "26.017") -AnnotationAssertion( "26.00307") -AnnotationAssertion( "C(#N)*") -AnnotationAssertion( "CHEBI:36824") -AnnotationAssertion( "CHEBI:48818") -AnnotationAssertion( "PDBeChem:CYN") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "cyanido") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "cyano") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "IUPAC") "-C#N") -AnnotationAssertion(Annotation( "IUPAC") "-CN") -AnnotationAssertion(Annotation( "PDBeChem") "CYANIDE GROUP") -AnnotationAssertion(Annotation( "IUPAC") "NC-") -AnnotationAssertion(Annotation( "ChEBI") "carbonitrile group") -AnnotationAssertion( "CHEBI:48819") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "cyano group") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (sulfurous acid) - -AnnotationAssertion( "0") -AnnotationAssertion( "H2O3S") -AnnotationAssertion( "InChI=1S/H2O3S/c1-4(2)3/h(H2,1,2,3)") -AnnotationAssertion( "LSNNMFCWUKXFEE-UHFFFAOYSA-N") -AnnotationAssertion( "82.08008") -AnnotationAssertion( "81.97247") -AnnotationAssertion( "OS(O)=O") -AnnotationAssertion( "CHEBI:26837") -AnnotationAssertion( "CHEBI:9344") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:7782-99-2") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:1458") -AnnotationAssertion( "KEGG:C00094") -AnnotationAssertion( "KNApSAcK:C00019662") -AnnotationAssertion( "PDBeChem:SO3") -AnnotationAssertion(Annotation( "UM-BBD") "UM-BBD_compID:c0348") -AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Sulfurous acid") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "dihydrogen trioxosulfate") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "dihydroxidooxidosulfur") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "sulfurous acid") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "trioxosulfuric acid") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "IUPAC") "H2SO3") -AnnotationAssertion(Annotation( "IUPAC") "S(O)(OH)2") -AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Sulfite") -AnnotationAssertion(Annotation( "IUPAC") "[SO(OH)2]") -AnnotationAssertion(Annotation( "ChEBI") "acide sulfureux") -AnnotationAssertion(Annotation( "ChEBI") "acido sulfuroso") -AnnotationAssertion(Annotation( "ChemIDplus") "schweflige Saeure") -AnnotationAssertion(Annotation( "ChemIDplus") "sulphurous acid") -AnnotationAssertion( "CHEBI:48854") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "sulfurous acid") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (hydrogen atom) - -AnnotationAssertion( "0") -AnnotationAssertion( "H") -AnnotationAssertion( "InChI=1S/H") -AnnotationAssertion( "YZCKVEUIGOORGS-UHFFFAOYSA-N") -AnnotationAssertion( "1.00794") -AnnotationAssertion( "1.00783") -AnnotationAssertion( "[H]") -AnnotationAssertion( "CHEBI:24634") -AnnotationAssertion( "CHEBI:49636") -AnnotationAssertion( "WebElements:H") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "hydrogen") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "IUPAC") "1H") -AnnotationAssertion(Annotation( "IUPAC") "H") -AnnotationAssertion(Annotation( "ChEBI") "Wasserstoff") -AnnotationAssertion(Annotation( "ChEBI") "hidrogeno") -AnnotationAssertion(Annotation( "ChEBI") "hydrogen") -AnnotationAssertion(Annotation( "ChEBI") "hydrogene") -AnnotationAssertion( "CHEBI:49637") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "hydrogen atom") -SubClassOf( ) -SubClassOf( ) -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (xenon(0)) - -AnnotationAssertion( "0") -AnnotationAssertion( "Xe") -AnnotationAssertion( "InChI=1S/Xe") -AnnotationAssertion( "FHNFHKCVQCLJFQ-UHFFFAOYSA-N") -AnnotationAssertion( "131.29000") -AnnotationAssertion( "131.90416") -AnnotationAssertion( "[Xe]") -AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:7440-63-3") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:7440-63-3") -AnnotationAssertion( "KEGG:C13373") -AnnotationAssertion( "KEGG:D01901") -AnnotationAssertion( "MolBase:926") -AnnotationAssertion( "PDBeChem:XE") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "xenon(0)") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "PDBeChem") "XENON") -AnnotationAssertion(Annotation( "MolBase") "[Xe]") -AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "xenon atom") -AnnotationAssertion( "CHEBI:49956") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "xenon(0)") -SubClassOf( ) - -# Class: (xenon atom) - -AnnotationAssertion( "0") -AnnotationAssertion( "Xe") -AnnotationAssertion( "InChI=1S/Xe") -AnnotationAssertion( "FHNFHKCVQCLJFQ-UHFFFAOYSA-N") -AnnotationAssertion( "131.29000") -AnnotationAssertion( "131.90416") -AnnotationAssertion( "[Xe]") -AnnotationAssertion( "CHEBI:32305") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:7440-63-3") -AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:7440-63-3") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:7440-63-3") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:16318") -AnnotationAssertion( "KEGG:C13373") -AnnotationAssertion( "WebElements:Xe") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "xenon") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "IUPAC") "54Xe") -AnnotationAssertion(Annotation( "IUPAC") "Xe") -AnnotationAssertion(Annotation( "ChEBI") "Xenon") -AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Xenon") -AnnotationAssertion(Annotation( "ChEBI") "xenon") -AnnotationAssertion( "CHEBI:49957") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "xenon atom") -SubClassOf( ) -SubClassOf( ) - -# Class: (elemental xenon) - -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion( "CHEBI:49984") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "elemental xenon") -SubClassOf( ) - -# Class: (monoatomic xenon) - -AnnotationAssertion( "0") -AnnotationAssertion( "Xe") -AnnotationAssertion( "131.292") -AnnotationAssertion( "131.90415") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion( "CHEBI:49985") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "monoatomic xenon") -SubClassOf( ) -SubClassOf( ) - -# Class: (organic amino compound) - -AnnotationAssertion( "A compound formally derived from ammonia by replacing one, two or three hydrogen atoms by organyl groups.") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "organic amino compounds") -AnnotationAssertion( "CHEBI:50047") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "organic amino compound") -SubClassOf( ) -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (sulfur coordination entity) - -AnnotationAssertion(Annotation( "ChEBI") "sulfur coordination entity") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "sulfur coordination compounds") -AnnotationAssertion(Annotation( "ChEBI") "sulfur coordination entities") -AnnotationAssertion( "CHEBI:50094") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "sulfur coordination entity") -SubClassOf( ) - -# Class: (trifluoromethyl group) - -AnnotationAssertion( "0") -AnnotationAssertion( "CF3") -AnnotationAssertion( "69.00591") -AnnotationAssertion( "68.99521") -AnnotationAssertion( "C(F)(*)(F)F") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "trifluoromethyl") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "IUPAC") "-CF3") -AnnotationAssertion( "CHEBI:50127") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "trifluoromethyl group") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (onium compound) - -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion( "CHEBI:50312") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "onium compound") -SubClassOf( ) - -# Class: (onium cation) - -AnnotationAssertion( "Mononuclear cations derived by addition of a hydron to a mononuclear parent hydride of the pnictogen, chalcogen and halogen families.") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "onium cations") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "onium cations") -AnnotationAssertion(Annotation( "ChEBI") "onium ion") -AnnotationAssertion(Annotation( "ChEBI") "onium ions") -AnnotationAssertion( "CHEBI:50313") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "onium cation") -SubClassOf( ) - -# Class: (fluoronium) - -AnnotationAssertion( "+1") -AnnotationAssertion( "FH2") -AnnotationAssertion( "InChI=1S/FH2/h1H2/q+1") -AnnotationAssertion( "YNESUKSMQODWNS-UHFFFAOYSA-N") -AnnotationAssertion( "21.01428") -AnnotationAssertion( "21.01350") -AnnotationAssertion( "[H][F+][H]") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "fluoranium") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "fluoronium") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "IUPAC") "H2F(+)") -AnnotationAssertion(Annotation( "ChEBI") "[FH2](+)") -AnnotationAssertion( "CHEBI:50314") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "fluoronium") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (bromonium) - -AnnotationAssertion( "+1") -AnnotationAssertion( "BrH2") -AnnotationAssertion( "InChI=1S/BrH2/h1H2/q+1") -AnnotationAssertion( "IWNNBBVLEFUBNE-UHFFFAOYSA-N") -AnnotationAssertion( "81.91988") -AnnotationAssertion( "80.93344") -AnnotationAssertion( "[H][Br+][H]") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:719134") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "bromanium") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "bromonium") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "IUPAC") "H2Br(+)") -AnnotationAssertion(Annotation( "ChEBI") "[BrH2](+)") -AnnotationAssertion( "CHEBI:50316") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "bromonium") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (haloalkyl group) - -AnnotationAssertion( "A group derived from a haloalkane by removal of a hydrogen atom.") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "haloalkyl groups") -AnnotationAssertion( "CHEBI:50491") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "haloalkyl group") -SubClassOf( ) - -# Class: (alkyl alcohol) - -AnnotationAssertion( "An aliphatic alcohol in which the aliphatic alkane chain is substituted by a hydroxy group at unspecified position.") -AnnotationAssertion( "CHEBI:22937") -AnnotationAssertion( "CHEBI:50581") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "alkyl alcohols") -AnnotationAssertion(Annotation( "ChEBI") "hydroxyalkane") -AnnotationAssertion(Annotation( "ChEBI") "hydroxyalkanes") -AnnotationAssertion( "CHEBI:50584") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "alkyl alcohol") -SubClassOf( ) - -# Class: (organic molecular entity) - -AnnotationAssertion( "Any molecular entity that contains carbon.") -AnnotationAssertion( "CHEBI:25700") -AnnotationAssertion( "CHEBI:33244") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "organic compounds") -AnnotationAssertion(Annotation( "ChEBI") "organic entity") -AnnotationAssertion(Annotation( "ChEBI") "organic molecular entities") -AnnotationAssertion( "CHEBI:50860") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "organic molecular entity") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (azaarene) - -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "azaarenes") -AnnotationAssertion( "CHEBI:50893") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "azaarene") -SubClassOf( ) -SubClassOf( ) - -# Class: (carcinogenic agent) - -AnnotationAssertion( "A role played by a chemical compound which is known to induce a process of carcinogenesis by corrupting normal cellular pathways, leading to the acquistion of tumoral capabilities.") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "agente carcinogeno") -AnnotationAssertion(Annotation( "ChEBI") "cancerigene") -AnnotationAssertion(Annotation( "ChEBI") "cancerogene") -AnnotationAssertion(Annotation( "ChEBI") "carcinogen") -AnnotationAssertion(Annotation( "ChEBI") "carcinogene") -AnnotationAssertion(Annotation( "ChEBI") "carcinogenic agents") -AnnotationAssertion(Annotation( "ChEBI") "carcinogeno") -AnnotationAssertion(Annotation( "ChEBI") "carcinogens") -AnnotationAssertion( "CHEBI:50903") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "carcinogenic agent") -SubClassOf( ) - -# Class: (allergen) - -AnnotationAssertion( "A chemical compound, or part thereof, which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy.") -AnnotationAssertion( "Wikipedia:Allergen") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "alergeno") -AnnotationAssertion(Annotation( "ChEBI") "allergene") -AnnotationAssertion(Annotation( "ChEBI") "allergenic agent") -AnnotationAssertion( "CHEBI:50904") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "allergen") -SubClassOf( ) - -# Class: (role) - -AnnotationAssertion( "A role is particular behaviour which a material entity may exhibit.") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion( "CHEBI:50906") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "role") - -# Class: (neurotoxin) - -AnnotationAssertion( "A poison that interferes with the functions of the nervous system.") -AnnotationAssertion( "CHEBI:50911") -AnnotationAssertion( "Wikipedia:Neurotoxin") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "agente neurotoxico") -AnnotationAssertion(Annotation( "ChEBI") "nerve poison") -AnnotationAssertion(Annotation( "ChEBI") "nerve poisons") -AnnotationAssertion(Annotation( "ChEBI") "neurotoxic agent") -AnnotationAssertion(Annotation( "ChEBI") "neurotoxic agents") -AnnotationAssertion(Annotation( "ChEBI") "neurotoxicant") -AnnotationAssertion(Annotation( "ChEBI") "neurotoxins") -AnnotationAssertion( "CHEBI:50910") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "neurotoxin") -SubClassOf( ) -SubClassOf( ) - -# Class: (fixative) - -AnnotationAssertion( "Any compound used for the purpose of preserving biological tissues from decay in such a way as to allow for the preparation of thin, stained sections for subsequent histological study.") -AnnotationAssertion( "Wikipedia:Fixation_(histology)") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "fixating agent") -AnnotationAssertion(Annotation( "ChEBI") "fixating agents") -AnnotationAssertion(Annotation( "ChEBI") "fixation agent") -AnnotationAssertion( "CHEBI:50913") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "fixative") -SubClassOf( ) - -# Class: (secondary amino compound) - -AnnotationAssertion( "A compound formally derived from ammonia by replacing two hydrogen atoms by organyl groups.") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "secondary amino compounds") -AnnotationAssertion( "CHEBI:50995") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "secondary amino compound") -SubClassOf( ) - -# Class: (nitrate salt) - -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "nitrate salts") -AnnotationAssertion( "CHEBI:51082") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "nitrate salt") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (inorganic nitrate salt) - -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "inorganic nitrate salts") -AnnotationAssertion(Annotation( "ChEBI") "inorganic nitrates") -AnnotationAssertion( "CHEBI:51084") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "inorganic nitrate salt") -SubClassOf( ) -SubClassOf( ) # Class: (chemical role) @@ -11852,55 +2651,6 @@ AnnotationAssertion( "CHEBI:51086") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "chemical role") -SubClassOf( ) - -# Class: (nitrohydrocarbon) - -AnnotationAssertion( "A C-nitro compound that is a hydrocarbon in which one or more of the hydrogens has been replaced by nitro groups.") -AnnotationAssertion(Annotation( "Europe PMC") "PMCID:PMC3909368") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "nitrohydrocarbons") -AnnotationAssertion( "CHEBI:51129") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "nitrohydrocarbon") -SubClassOf( ) - -# Class: (nitroarene) - -AnnotationAssertion( "A nitrohydrocarbon that consists of an arene skeleton substituted by one or more nitro groups at unspecified positions.") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "nitroarenes") -AnnotationAssertion( "CHEBI:51132") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "nitroarene") -SubClassOf( ) - -# Class: (nitrogen molecular entity) - -AnnotationAssertion( "CHEBI:25556") -AnnotationAssertion( "CHEBI:7594") -AnnotationAssertion( "KEGG:C06061") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Nitrogenous compounds") -AnnotationAssertion(Annotation( "ChEBI") "nitrogen compounds") -AnnotationAssertion(Annotation( "ChEBI") "nitrogen molecular entities") -AnnotationAssertion( "CHEBI:51143") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "nitrogen molecular entity") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (nitrogen group) - -AnnotationAssertion(Annotation( "ChEBI") "nitrogen group") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "nitrogen groups") -AnnotationAssertion(Annotation( "ChEBI") "nitrogen-containing group") -AnnotationAssertion(Annotation( "ChEBI") "nitrogenous group") -AnnotationAssertion( "CHEBI:51144") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "nitrogen group") -SubClassOf( ) # Class: (monofluorobenzene) @@ -11912,7 +2662,6 @@ AnnotationAssertion( "96.10230") AnnotationAssertion( "96.03753") AnnotationAssertion( "Fc1ccccc1") -AnnotationAssertion(Annotation( "Beilstein") "Beilstein:1236623") AnnotationAssertion(Annotation( "ChemIDplus") "CAS:462-06-6") AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:462-06-6") AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:462-06-6") @@ -11933,140 +2682,8 @@ AnnotationAssertion(Annotation( "CHEBI:5115") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "monofluorobenzene") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (organocadmium compound) - -AnnotationAssertion( "A compound containing at least one carbon-cadmium bond.") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "organocadmium compounds") -AnnotationAssertion( "CHEBI:51183") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "organocadmium compound") -SubClassOf( ) - -# Class: (organodiyl group) - -AnnotationAssertion( "Any organic substituent group, regardless of functional type, having two free valences at carbon atom(s).") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "organodiyl groups") -AnnotationAssertion( "CHEBI:51422") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "organodiyl group") -SubClassOf( ) - -# Class: (organic divalent group) - -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion( "CHEBI:51446") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "organic divalent group") -SubClassOf( ) - -# Class: (organic univalent group) - -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion( "CHEBI:51447") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "organic univalent group") -SubClassOf( ) - -# Class: (organorhodium compound) - -AnnotationAssertion( "A compound containing at least one carbon-rhodium bond.") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "organorhodium compounds") -AnnotationAssertion( "CHEBI:51493") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "organorhodium compound") -SubClassOf( ) -SubClassOf( ) - -# Class: (halometallate anion) - -AnnotationAssertion( "An anionic coordination entity where halido ligands are coordinated to a metal centre.") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "halometallate anions") -AnnotationAssertion( "CHEBI:51518") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "halometallate anion") -SubClassOf( ) -SubClassOf( ) - -# Class: (perhalometallate anion) - -AnnotationAssertion( "A halometallate anion where all of the ligands coordinated to the metal atom are halido ligands.") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "perhalometallate anions") -AnnotationAssertion( "CHEBI:51519") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "perhalometallate anion") -SubClassOf( ) - -# Class: (chlorometallate anion) - -AnnotationAssertion( "An anionic coordination entity where chlorido ligands are coordinated to a metal centre.") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "chloridometallate anion") -AnnotationAssertion(Annotation( "ChEBI") "chlorometallate anions") -AnnotationAssertion( "CHEBI:51520") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "chlorometallate anion") -SubClassOf( ) - -# Class: (perchlorometallate anion) - -AnnotationAssertion( "An anionic coordination entity where all of the ligands coordinated to the metal atom are chlorido ligands.") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "perchlorometallate anions") -AnnotationAssertion( "CHEBI:51521") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "perchlorometallate anion") -SubClassOf( ) -SubClassOf( ) - -# Class: (biochemical role) - -AnnotationAssertion( "A biological role played by the molecular entity or part thereof within a biochemical context.") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion( "CHEBI:52206") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "biochemical role") -SubClassOf( ) - -# Class: (aetiopathogenetic role) - -AnnotationAssertion( "A role played by the molecular entity or part thereof which causes the development of a pathological process.") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "etiopathogenetic agent") -AnnotationAssertion(Annotation( "ChEBI") "etiopathogenetic role") -AnnotationAssertion( "CHEBI:52209") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "aetiopathogenetic role") -SubClassOf( ) - -# Class: (physiological role) - -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion( "CHEBI:52211") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "physiological role") -SubClassOf( ) - -# Class: (pharmaceutical) - -AnnotationAssertion( "Any substance introduced into a living organism with therapeutic or diagnostic purpose.") -AnnotationAssertion( "CHEBI:33293") -AnnotationAssertion( "CHEBI:33294") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "farmaco") -AnnotationAssertion(Annotation( "ChEBI") "medicament") -AnnotationAssertion(Annotation( "ChEBI") "pharmaceuticals") -AnnotationAssertion( "CHEBI:52217") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "pharmaceutical") -SubClassOf( ) +SubClassOf( ) +SubClassOf( ) # Class: (tin-119 atom) @@ -12086,7 +2703,7 @@ AnnotationAssertion(Annotation( "CHEBI:52230") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "tin-119 atom") -SubClassOf( ) +SubClassOf( ) # Class: (tin-117 atom) @@ -12106,7 +2723,7 @@ AnnotationAssertion(Annotation( "CHEBI:52234") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "tin-117 atom") -SubClassOf( ) +SubClassOf( ) # Class: (tin-115 atom) @@ -12126,7 +2743,7 @@ AnnotationAssertion(Annotation( "CHEBI:52235") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "tin-115 atom") -SubClassOf( ) +SubClassOf( ) # Class: (tellurium-125 atom) @@ -12146,7 +2763,7 @@ AnnotationAssertion(Annotation( "CHEBI:52452") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "tellurium-125 atom") -SubClassOf( ) +SubClassOf( ) # Class: (xenon-129 atom) @@ -12166,8 +2783,9 @@ AnnotationAssertion(Annotation( "CHEBI:52453") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "xenon-129 atom") -SubClassOf( ) -SubClassOf( ) +SubClassOf( ) +SubClassOf( ) +SubClassOf( ) # Class: (selenium-77 atom) @@ -12199,7 +2817,7 @@ AnnotationAssertion(Annotation( "CHEBI:52457") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "selenium-77 atom") -SubClassOf( ) +SubClassOf( ) # Class: (lithium-7 atom) @@ -12219,7 +2837,7 @@ AnnotationAssertion(Annotation( "CHEBI:52458") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "lithium-7 atom") -SubClassOf( ) +SubClassOf( ) # Class: (rubidium-87 atom) @@ -12239,7 +2857,7 @@ AnnotationAssertion(Annotation( "CHEBI:52459") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "rubidium-87 atom") -SubClassOf( ) +SubClassOf( ) # Class: (niobium-93 atom) @@ -12259,7 +2877,7 @@ AnnotationAssertion(Annotation( "CHEBI:52460") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "niobium-93 atom") -SubClassOf( ) +SubClassOf( ) # Class: (tungsten-183) @@ -12278,7 +2896,7 @@ AnnotationAssertion(Annotation( "CHEBI:52462") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "tungsten-183") -SubClassOf( ) +SubClassOf( ) # Class: (cadmium-111) @@ -12297,7 +2915,7 @@ AnnotationAssertion(Annotation( "CHEBI:52619") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "cadmium-111") -SubClassOf( ) +SubClassOf( ) # Class: (cadmium-113) @@ -12316,7 +2934,7 @@ AnnotationAssertion(Annotation( "CHEBI:52620") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "cadmium-113") -SubClassOf( ) +SubClassOf( ) # Class: (lithium-6 atom) @@ -12336,7 +2954,7 @@ AnnotationAssertion(Annotation( "CHEBI:52621") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "lithium-6 atom") -SubClassOf( ) +SubClassOf( ) # Class: (yttrium-89 atom) @@ -12356,7 +2974,7 @@ AnnotationAssertion(Annotation( "CHEBI:52622") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "yttrium-89 atom") -SubClassOf( ) +SubClassOf( ) # Class: (iron-57 atom) @@ -12375,7 +2993,7 @@ AnnotationAssertion(Annotation( "CHEBI:52623") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "iron-57 atom") -SubClassOf( ) +SubClassOf( ) # Class: (antimony-121 atom) @@ -12395,18 +3013,8 @@ AnnotationAssertion(Annotation( "CHEBI:52624") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "antimony-121 atom") -SubClassOf( ) -SubClassOf( ) - -# Class: (inorganic hydroxy compound) - -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "inorganic hydroxides") -AnnotationAssertion( "CHEBI:52625") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "inorganic hydroxy compound") -SubClassOf( ) -SubClassOf( ) +SubClassOf( ) +SubClassOf( ) # Class: (antimony-123 atom) @@ -12426,8 +3034,8 @@ AnnotationAssertion(Annotation( "CHEBI:52626") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "antimony-123 atom") -SubClassOf( ) -SubClassOf( ) +SubClassOf( ) +SubClassOf( ) # Class: (lanthanum-139 atom) @@ -12447,7 +3055,7 @@ AnnotationAssertion(Annotation( "CHEBI:52627") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "lanthanum-139 atom") -SubClassOf( ) +SubClassOf( ) # Class: (iodine-127 atom) @@ -12467,7 +3075,7 @@ AnnotationAssertion(Annotation( "CHEBI:52631") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "iodine-127 atom") -SubClassOf( ) +SubClassOf( ) # Class: (potassium-39 atom) @@ -12487,7 +3095,7 @@ AnnotationAssertion(Annotation( "CHEBI:52632") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "potassium-39 atom") -SubClassOf( ) +SubClassOf( ) # Class: (molybdenum-95) @@ -12506,7 +3114,7 @@ AnnotationAssertion(Annotation( "CHEBI:52633") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "molybdenum-95") -SubClassOf( ) +SubClassOf( ) # Class: (sodium-23 atom) @@ -12526,7 +3134,7 @@ AnnotationAssertion(Annotation( "CHEBI:52634") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "sodium-23 atom") -SubClassOf( ) +SubClassOf( ) # Class: (scandium-45 atom) @@ -12546,7 +3154,7 @@ AnnotationAssertion(Annotation( "CHEBI:52635") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "scandium-45 atom") -SubClassOf( ) +SubClassOf( ) # Class: (bromine-79 atom) @@ -12565,7 +3173,7 @@ AnnotationAssertion(Annotation( "CHEBI:52743") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "bromine-79 atom") -SubClassOf( ) +SubClassOf( ) # Class: (germanium-73 atom) @@ -12584,7 +3192,7 @@ AnnotationAssertion(Annotation( "CHEBI:52758") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "germanium-73 atom") -SubClassOf( ) +SubClassOf( ) # Class: (magnesium-25 atom) @@ -12603,7 +3211,7 @@ AnnotationAssertion(Annotation( "CHEBI:52763") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "magnesium-25 atom") -SubClassOf( ) +SubClassOf( ) # Class: (tetramethylammonium bromide) @@ -12626,51 +3234,8 @@ AnnotationAssertion(Annotation( "CHEBI:55317") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "tetramethylammonium bromide") -SubClassOf( ) -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (heterocyclic compound) - -AnnotationAssertion( "A cyclic compound having as ring members atoms of at least two different elements.") -AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Heterocyclic compound") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "IUPAC") "compuesto heterociclico") -AnnotationAssertion(Annotation( "IUPAC") "compuestos heterociclicos") -AnnotationAssertion(Annotation( "ChEBI") "heterocycle") -AnnotationAssertion(Annotation( "ChEBI") "heterocyclic compounds") -AnnotationAssertion( "CHEBI:5686") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "heterocyclic compound") -SubClassOf( ) - -# Class: (short-chain fatty acid anion) - -AnnotationAssertion( "Any fatty acid anion obtained by removal of a proton from the carboxy group of a short-chain fatty acid (chain length of less than C6).") -AnnotationAssertion( "-1") -AnnotationAssertion( "CO2R") -AnnotationAssertion( "44.010") -AnnotationAssertion( "43.98983") -AnnotationAssertion( "[O-]C([*])=O") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "UniProt") "a short-chain fatty acid") -AnnotationAssertion(Annotation( "ChEBI") "short-chain fatty acid anions") -AnnotationAssertion( "CHEBI:58951") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "short-chain fatty acid anion") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (saturated fatty acid anion) - -AnnotationAssertion( "Any fatty acid anion in which there is no C-C unsaturation.") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "saturated fatty acid anions") -AnnotationAssertion( "CHEBI:58953") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "saturated fatty acid anion") -SubClassOf( ) +SubClassOf( ) +SubClassOf( ) # Class: (sodium hexachloroplatinate) @@ -12694,49 +3259,11 @@ AnnotationAssertion(Annotation( "CHEBI:59606") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "sodium hexachloroplatinate") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) +SubClassOf( ) +SubClassOf( ) +SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) -# Class: (phosphine oxide) - -AnnotationAssertion( "Phosphine oxides are organophosphorus compounds with the formula OPR3, where R = alkyl or aryl. They are considered to be the most stable organophosphorus compounds.") -AnnotationAssertion( "0") -AnnotationAssertion( "OPR3") -AnnotationAssertion( "46.97320") -AnnotationAssertion( "46.96868") -AnnotationAssertion( "[*]P([*])([*])=O") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "phosphane oxide") -AnnotationAssertion(Annotation( "ChEBI") "phosphane oxides") -AnnotationAssertion(Annotation( "ChEBI") "phosphine oxides") -AnnotationAssertion( "CHEBI:59656") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "phosphine oxide") -SubClassOf( ) - -# Class: (phosphoric acids) - -AnnotationAssertion( "Compounds containing one or more phosphoric acid units.") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion( "CHEBI:59698") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "phosphoric acids") -SubClassOf( ) - -# Class: (nucleophilic reagent) - -AnnotationAssertion( "A reagent that forms a bond to its reaction partner (the electrophile) by donating both bonding electrons.") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "nucleophile") -AnnotationAssertion(Annotation( "ChEBI") "nucleophiles") -AnnotationAssertion(Annotation( "ChEBI") "nucleophilic reagents") -AnnotationAssertion( "CHEBI:59740") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "nucleophilic reagent") -SubClassOf( ) -SubClassOf( ) - # Class: (chemical substance) AnnotationAssertion( "A chemical substance is a portion of matter of constant composition, composed of molecular entities of the same type or of different types.") @@ -12745,32 +3272,6 @@ AnnotationAssertion(Annotation( "CHEBI:59999") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "chemical substance") -SubClassOf( ) - -# Class: (monovalent inorganic cation) - -AnnotationAssertion( "An atom or small molecule with a positive charge that does not contain carbon in covalent linkage, with a valency of one.") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "UniProt") "a monovalent cation") -AnnotationAssertion( "CHEBI:60242") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "monovalent inorganic cation") -SubClassOf( ) - -# Class: (reactive nitrogen species) - -AnnotationAssertion( "A family of nitrogen molecular entities which are highly reactive and derived from nitric oxide (.NO) and superoxide (O2.(-)) produced via the enzymatic activity of inducible nitric oxide synthase 2 (NOS2) and NADPH oxidase respectively.") -AnnotationAssertion(Annotation( "SUBMITTER") "PMID:12076975") -AnnotationAssertion(Annotation( "SUBMITTER") "PMID:17667957") -AnnotationAssertion(Annotation( "SUBMITTER") "PMID:9741578") -AnnotationAssertion( "Wikipedia:Reactive_nitrogen_species") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "SUBMITTER") "RNI") -AnnotationAssertion(Annotation( "SUBMITTER") "RNS") -AnnotationAssertion( "CHEBI:62764") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "reactive nitrogen species") -SubClassOf( ) # Class: (sodium nitrate) @@ -12802,59 +3303,9 @@ AnnotationAssertion(Annotation( "CHEBI:63005") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "sodium nitrate") -SubClassOf( ) -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (reducing agent) - -AnnotationAssertion( "The element or compound in a reduction-oxidation (redox) reaction that donates an electron to another species.") -AnnotationAssertion( "Wikipedia:Reducing_agent") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "reducer") -AnnotationAssertion(Annotation( "ChEBI") "reducers") -AnnotationAssertion(Annotation( "ChEBI") "reducing agents") -AnnotationAssertion(Annotation( "ChEBI") "reductant") -AnnotationAssertion(Annotation( "ChEBI") "reductants") -AnnotationAssertion( "CHEBI:63247") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "reducing agent") -SubClassOf( ) - -# Class: (oxidising agent) - -AnnotationAssertion( "A substance that removes electrons from another reactant in a redox reaction.") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "oxidant") -AnnotationAssertion(Annotation( "ChEBI") "oxidants") -AnnotationAssertion(Annotation( "ChEBI") "oxidiser") -AnnotationAssertion(Annotation( "ChEBI") "oxidisers") -AnnotationAssertion(Annotation( "ChEBI") "oxidising agents") -AnnotationAssertion(Annotation( "ChEBI") "oxidizer") -AnnotationAssertion(Annotation( "ChEBI") "oxidizers") -AnnotationAssertion(Annotation( "ChEBI") "oxidizing agent") -AnnotationAssertion(Annotation( "ChEBI") "oxidizing agents") -AnnotationAssertion( "CHEBI:63248") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "oxidising agent") -SubClassOf( ) - -# Class: (explosive) - -AnnotationAssertion( "A substance capable of undergoing rapid and highly exothermic decomposition.") -AnnotationAssertion( "Wikipedia:Explosive_material") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "explosive compound") -AnnotationAssertion(Annotation( "ChEBI") "explosive compounds") -AnnotationAssertion(Annotation( "ChEBI") "explosive material") -AnnotationAssertion(Annotation( "ChEBI") "explosives") -AnnotationAssertion(Annotation( "ChEBI") "explosives chemical") -AnnotationAssertion(Annotation( "ChEBI") "explosives chemicals") -AnnotationAssertion( "CHEBI:63490") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "explosive") -SubClassOf( ) +SubClassOf( ) +SubClassOf( ) +SubClassOf( ) # Class: (sodium tungstate) @@ -12881,141 +3332,10 @@ AnnotationAssertion(Annotation( "CHEBI:63940") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "sodium tungstate") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) +SubClassOf( ) +SubClassOf( ) +SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (food additive) - -AnnotationAssertion( "Any substance which is added to food to preserve or enhance its flavour and/or appearance.") -AnnotationAssertion( "Wikipedia:Food_additive") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "food additives") -AnnotationAssertion( "CHEBI:64047") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "food additive") -SubClassOf( ) -SubClassOf( ) - -# Class: (food acidity regulator) - -AnnotationAssertion( "A food additive that is used to change or otherwise control the acidity or alkalinity of foods. They may be acids, bases, neutralising agents or buffering agents.") -AnnotationAssertion( "Wikipedia:Acidity_regulator") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "acidity regulator") -AnnotationAssertion(Annotation( "ChEBI") "acidity regulators") -AnnotationAssertion(Annotation( "ChEBI") "food acidity regulators") -AnnotationAssertion(Annotation( "ChEBI") "pH control agent") -AnnotationAssertion(Annotation( "ChEBI") "pH control agents") -AnnotationAssertion( "CHEBI:64049") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "food acidity regulator") -SubClassOf( ) - -# Class: (one-carbon compound) - -AnnotationAssertion( "An organic molecular entity containing a single carbon atom (C1).") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "one-carbon compounds") -AnnotationAssertion( "CHEBI:64708") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "one-carbon compound") -SubClassOf( ) - -# Class: (organic acid) - -AnnotationAssertion( "Any organic molecular entity that is acidic and contains carbon in covalent linkage.") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "organic acids") -AnnotationAssertion( "CHEBI:64709") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "organic acid") -SubClassOf( ) - -# Class: (cationic group) - -AnnotationAssertion( "A group that carries an overall positive charge.") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "cationic groups") -AnnotationAssertion( "CHEBI:64766") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "cationic group") -SubClassOf( ) - -# Class: (anionic group) - -AnnotationAssertion( "A group that carries an overall negative charge.") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "anionic groups") -AnnotationAssertion( "CHEBI:64767") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "anionic group") -SubClassOf( ) - -# Class: (organic cationic group) - -AnnotationAssertion( "A cationic group that contains carbon.") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "organic cationic groups") -AnnotationAssertion( "CHEBI:64769") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "organic cationic group") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (organic anionic group) - -AnnotationAssertion( "An anionic group that contains carbon.") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "organic anionic groups") -AnnotationAssertion( "CHEBI:64775") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "organic anionic group") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (poison) - -AnnotationAssertion( "Any substance that causes disturbance to organisms by chemical reaction or other activity on the molecular scale, when a sufficient quantity is absorbed by the organism.") -AnnotationAssertion( "Wikipedia:Poison") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "poisonous agent") -AnnotationAssertion(Annotation( "ChEBI") "poisonous agents") -AnnotationAssertion(Annotation( "ChEBI") "poisonous substance") -AnnotationAssertion(Annotation( "ChEBI") "poisonous substances") -AnnotationAssertion(Annotation( "ChEBI") "poisons") -AnnotationAssertion(Annotation( "ChEBI") "toxic agent") -AnnotationAssertion(Annotation( "ChEBI") "toxic agents") -AnnotationAssertion(Annotation( "ChEBI") "toxic substance") -AnnotationAssertion(Annotation( "ChEBI") "toxic substances") -AnnotationAssertion( "CHEBI:64909") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "poison") -SubClassOf( ) - -# Class: (food preservative) - -AnnotationAssertion( "Substances which are added to food in order to prevent decomposition caused by microbial growth or by undesirable chemical changes.") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "food preservatives") -AnnotationAssertion( "CHEBI:65255") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "food preservative") -SubClassOf( ) - -# Class: (antimicrobial food preservative) - -AnnotationAssertion( "A food preservative which prevents decomposition of food by preventing the growth of fungi or bacteria. In European countries, E-numbers for permitted food preservatives are from E200 to E299, divided into sorbates (E200-209), benzoates (E210-219), sulfites (E220-229), phenols and formates (E230-239), nitrates (E240-259), acetates (E260-269), lactates (E270-279), propionates (E280-289) and others (E290-299).") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "antimicrobial food preservatives") -AnnotationAssertion(Annotation( "ChEBI") "antimicrobial preservative") -AnnotationAssertion(Annotation( "ChEBI") "antimicrobial preservatives") -AnnotationAssertion( "CHEBI:65256") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "antimicrobial food preservative") -SubClassOf( ) -SubClassOf( ) # Class: (potassium fluoride) @@ -13027,7 +3347,6 @@ AnnotationAssertion( "58.09670") AnnotationAssertion( "57.96211") AnnotationAssertion( "[F-].[K+]") -AnnotationAssertion(Annotation( "SUBMITTER") "Beilstein:3902818") AnnotationAssertion(Annotation( "ChemIDplus") "CAS:7789-23-3") AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:7789-23-3") AnnotationAssertion(Annotation( "Europe PMC") "PMID:21412559") @@ -13050,132 +3369,22 @@ AnnotationAssertion(Annotation( "CHEBI:66872") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "potassium fluoride") -SubClassOf( ) -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (organic molecule) - -AnnotationAssertion( "Any molecule that consists of at least one carbon atom as part of the electrically neutral entity.") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "organic compound") -AnnotationAssertion(Annotation( "ChEBI") "organic compounds") -AnnotationAssertion(Annotation( "ChEBI") "organic molecules") -AnnotationAssertion( "CHEBI:72695") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "organic molecule") -SubClassOf( ) -SubClassOf( ) - -# Class: (astringent) - -AnnotationAssertion( "A compound that causes the contraction of body tissues, typically used to reduce bleeding from minor abrasions.") -AnnotationAssertion( "Wikipedia:Astringent") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "adstringent") -AnnotationAssertion(Annotation( "ChEBI") "adstringents") -AnnotationAssertion(Annotation( "ChEBI") "astringents") -AnnotationAssertion( "CHEBI:74783") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "astringent") -SubClassOf( ) - -# Class: (eukaryotic metabolite) - -AnnotationAssertion( "Any metabolite produced during a metabolic reaction in eukaryotes, the taxon that include members of the fungi, plantae and animalia kingdoms.") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "eukaryotic metabolites") -AnnotationAssertion( "CHEBI:75763") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "eukaryotic metabolite") -SubClassOf( ) - -# Class: (animal metabolite) - -AnnotationAssertion( "Any eukaryotic metabolite produced during a metabolic reaction in animals that include diverse creatures from sponges, insects to mammals.") -AnnotationAssertion( "CHEBI:77721") -AnnotationAssertion( "CHEBI:77743") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "animal metabolites") -AnnotationAssertion( "CHEBI:75767") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "animal metabolite") -SubClassOf( ) - -# Class: (mammalian metabolite) - -AnnotationAssertion( "Any animal metabolite produced during a metabolic reaction in mammals.") -AnnotationAssertion( "CHEBI:77464") -AnnotationAssertion( "CHEBI:77744") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "mammalian metabolites") -AnnotationAssertion( "CHEBI:75768") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "mammalian metabolite") -SubClassOf( ) - -# Class: (mouse metabolite) - -AnnotationAssertion( "Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "Mus musculus metabolite") -AnnotationAssertion(Annotation( "ChEBI") "Mus musculus metabolites") -AnnotationAssertion(Annotation( "ChEBI") "mouse metabolites") -AnnotationAssertion( "CHEBI:75771") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "mouse metabolite") -SubClassOf( ) - -# Class: (Saccharomyces cerevisiae metabolite) - -AnnotationAssertion( "Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae).") -AnnotationAssertion( "CHEBI:76949") -AnnotationAssertion( "CHEBI:76951") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "S. cerevisiae metabolite") -AnnotationAssertion(Annotation( "ChEBI") "S. cerevisiae metabolites") -AnnotationAssertion(Annotation( "ChEBI") "S. cerevisiae secondary metabolite") -AnnotationAssertion(Annotation( "ChEBI") "S. cerevisiae secondary metabolites") -AnnotationAssertion(Annotation( "ChEBI") "Saccharomyces cerevisiae metabolites") -AnnotationAssertion(Annotation( "ChEBI") "Saccharomyces cerevisiae secondary metabolites") -AnnotationAssertion(Annotation( "ChEBI") "baker's yeast metabolite") -AnnotationAssertion(Annotation( "ChEBI") "baker's yeast metabolites") -AnnotationAssertion(Annotation( "ChEBI") "baker's yeast secondary metabolite") -AnnotationAssertion(Annotation( "ChEBI") "baker's yeast secondary metabolites") -AnnotationAssertion( "CHEBI:75772") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "Saccharomyces cerevisiae metabolite") -SubClassOf( ) - -# Class: (prokaryotic metabolite) - -AnnotationAssertion( "Any metabolite produced during a metabolic reaction in prokaryotes, the taxon that include members of domains such as the bacteria and archaea.") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "prokaryotic metabolites") -AnnotationAssertion( "CHEBI:75787") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "prokaryotic metabolite") -SubClassOf( ) - -# Class: (nitroalkane) - -AnnotationAssertion( "A nitrohydrocarbon that is an alkane in which one of the hydrogens has been replaced by a nitro group.") -AnnotationAssertion( "0") -AnnotationAssertion( "NO2R") -AnnotationAssertion( "46.006") -AnnotationAssertion( "45.99290") -AnnotationAssertion( "KEGG:C06058") -AnnotationAssertion( "MetaCyc:Nitroalkanes") -AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Nitroalkane") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "nitroalkanes") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "Nitroalkan") -AnnotationAssertion(Annotation( "ChEBI") "Nitroparaffin") -AnnotationAssertion( "CHEBI:7587") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "nitroalkane") -SubClassOf( ) +SubClassOf( ) +SubClassOf( ) + +# Class: (NMR shift reagent) + +AnnotationAssertion( "In NMR spectroscopy a reagent added to a solution to induce chemical shifts and thus simplify complex spectra.") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "ChEBI") "NMR shift reagents") +AnnotationAssertion(Annotation( "ChEBI") "lanthanide shift reagent") +AnnotationAssertion(Annotation( "ChEBI") "lanthanide shift reagents") +AnnotationAssertion(Annotation( "ChEBI") "nuclear magnetic resonance shift reagent") +AnnotationAssertion(Annotation( "ChEBI") "nuclear magnetic resonance shift reagents") +AnnotationAssertion( "CHEBI:67137") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "NMR shift reagent") +SubClassOf( ) # Class: (deuterated compound) @@ -13195,275 +3404,6 @@ AnnotationAssertion( "deuterated compound") SubClassOf( ) -# Class: (xenobiotic metabolite) - -AnnotationAssertion( "Any metabolite produced by metabolism of a xenobiotic compound.") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "xenobiotic metabolites") -AnnotationAssertion( "CHEBI:76206") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "xenobiotic metabolite") -SubClassOf( ) - -# Class: (greenhouse gas) - -AnnotationAssertion( "A gas in an atmosphere that absorbs and emits radiation within the thermal infrared range, so contributing to the 'greenhouse effect'.") -AnnotationAssertion( "Wikipedia:Greenhouse_gas") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "greenhouse gases") -AnnotationAssertion( "CHEBI:76413") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "greenhouse gas") -SubClassOf( ) - -# Class: (EC 4.* (lyase) inhibitor) - -AnnotationAssertion( "An enzyme inhibitor which interferes with the action of a lyase (EC 4.*.*.*). Lyases are enzymes cleaving C-C, C-O, C-N and other bonds by other means than by hydrolysis or oxidation.") -AnnotationAssertion( "Wikipedia:Lyase") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "EC 4.* (lyase) inhibitors") -AnnotationAssertion(Annotation( "ChEBI") "EC 4.* inhibitor") -AnnotationAssertion(Annotation( "ChEBI") "EC 4.* inhibitors") -AnnotationAssertion(Annotation( "ChEBI") "EC 4.*.*.* inhibitor") -AnnotationAssertion(Annotation( "ChEBI") "EC 4.*.*.* inhibitors") -AnnotationAssertion(Annotation( "ChEBI") "lyase (EC 4.*) inhibitor") -AnnotationAssertion(Annotation( "ChEBI") "lyase (EC 4.*) inhibitorS") -AnnotationAssertion(Annotation( "ChEBI") "lyase inhibitor") -AnnotationAssertion(Annotation( "ChEBI") "lyase inhibitors") -AnnotationAssertion( "CHEBI:76710") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "EC 4.* (lyase) inhibitor") -SubClassOf( ) - -# Class: (EC 4.3.* (C-N lyase) inhibitor) - -AnnotationAssertion( "A lyase inhibitor which inhibits the action of a C-N lyase (EC 4.3.*.*).") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "C-N lyase (EC 4.3.*) inhibitor") -AnnotationAssertion(Annotation( "ChEBI") "C-N lyase (EC 4.3.*) inhibitors") -AnnotationAssertion(Annotation( "ChEBI") "C-N lyase inhibitor") -AnnotationAssertion(Annotation( "ChEBI") "C-N lyase inhibitors") -AnnotationAssertion(Annotation( "ChEBI") "EC 4.3.* (C-N lyase) inhibitors") -AnnotationAssertion(Annotation( "ChEBI") "EC 4.3.* inhibitor") -AnnotationAssertion(Annotation( "ChEBI") "EC 4.3.* inhibitors") -AnnotationAssertion( "CHEBI:76713") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "EC 4.3.* (C-N lyase) inhibitor") -SubClassOf( ) - -# Class: (EC 1.* (oxidoreductase) inhibitor) - -AnnotationAssertion( "An enzyme inhibitor which interferes with the action of an oxidoreductase (EC 1.*.*.*).") -AnnotationAssertion( "Wikipedia:Oxidoreductase") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "EC 1.* (oxidoreductase) inhibitors") -AnnotationAssertion(Annotation( "ChEBI") "EC 1.* inhibitor") -AnnotationAssertion(Annotation( "ChEBI") "EC 1.* inhibitors") -AnnotationAssertion(Annotation( "ChEBI") "oxidoreductase (EC 1.*) inhibitor") -AnnotationAssertion(Annotation( "ChEBI") "oxidoreductase (EC 1.*) inhibitors") -AnnotationAssertion(Annotation( "ChEBI") "oxidoreductase inhibitor") -AnnotationAssertion(Annotation( "ChEBI") "oxidoreductase inhibitors") -AnnotationAssertion( "CHEBI:76725") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "EC 1.* (oxidoreductase) inhibitor") -SubClassOf( ) - -# Class: (EC 1.9.* (oxidoreductase acting on donor heme group) inhibitor) - -AnnotationAssertion( "An oxidoreductase inhibitor which interferes with the action of an oxidoreductase acting on a heme group of donors (EC 1.9.*.*).") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "EC 1.9.* (oxidoreductase acting on a heme group of donors) inhibitor") -AnnotationAssertion(Annotation( "ChEBI") "EC 1.9.* (oxidoreductase acting on a heme group of donors) inhibitors") -AnnotationAssertion(Annotation( "ChEBI") "EC 1.9.* (oxidoreductase acting on donor heme group) inhibitors") -AnnotationAssertion(Annotation( "ChEBI") "EC 1.9.* inhibitor") -AnnotationAssertion(Annotation( "ChEBI") "EC 1.9.* inhibitors") -AnnotationAssertion(Annotation( "ChEBI") "oxidoreductase acting on a heme group of donors (EC 1.9.*) inhibitor") -AnnotationAssertion(Annotation( "ChEBI") "oxidoreductase acting on a heme group of donors (EC 1.9.*) inhibitors") -AnnotationAssertion( "CHEBI:76736") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "EC 1.9.* (oxidoreductase acting on donor heme group) inhibitor") -SubClassOf( ) - -# Class: (EC 3.* (hydrolase) inhibitor) - -AnnotationAssertion( "Any enzyme inhibitor that interferes with the action of a hydrolase (EC 3.*.*.*).") -AnnotationAssertion( "Wikipedia:Hydrolase") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "EC 3.* (hydrolase) inhibitors") -AnnotationAssertion(Annotation( "ChEBI") "EC 3.* inhibitor") -AnnotationAssertion(Annotation( "ChEBI") "EC 3.* inhibitors") -AnnotationAssertion(Annotation( "ChEBI") "EC 3.*.*.* inhibitor") -AnnotationAssertion(Annotation( "ChEBI") "EC 3.*.*.* inhibitors") -AnnotationAssertion(Annotation( "ChEBI") "hydrolase (EC 3.*) inhibitor") -AnnotationAssertion(Annotation( "ChEBI") "hydrolase (EC 3.*) inhibitors") -AnnotationAssertion(Annotation( "ChEBI") "hydrolase inhibitor") -AnnotationAssertion(Annotation( "ChEBI") "hydrolase inhibitors") -AnnotationAssertion( "CHEBI:76759") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "EC 3.* (hydrolase) inhibitor") -SubClassOf( ) - -# Class: (EC 3.5.* (hydrolases acting on non-peptide C-N bonds) inhibitor) - -AnnotationAssertion( "Any hydrolase inhibitor that interferes with the action of a hydrolase acting on C-N bonds, other than peptide bonds (EC 3.5.*.*).") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "EC 3.5.* (hydrolase acting on non-peptide C-N bond) inhibitor") -AnnotationAssertion(Annotation( "ChEBI") "EC 3.5.* (hydrolase acting on non-peptide C-N bond) inhibitors") -AnnotationAssertion(Annotation( "ChEBI") "EC 3.5.* (hydrolases acting on C-N bonds, other than peptide bonds) inhibitor") -AnnotationAssertion(Annotation( "ChEBI") "EC 3.5.* (hydrolases acting on C-N bonds, other than peptide bonds) inhibitors") -AnnotationAssertion(Annotation( "ChEBI") "EC 3.5.* (hydrolases acting on non-peptide C-N bonds) inhibitors") -AnnotationAssertion(Annotation( "ChEBI") "EC 3.5.* inhibitor") -AnnotationAssertion(Annotation( "ChEBI") "EC 3.5.* inhibitors") -AnnotationAssertion( "CHEBI:76764") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "EC 3.5.* (hydrolases acting on non-peptide C-N bonds) inhibitor") -SubClassOf( ) - -# Class: (EC 3.5.1.* (non-peptide linear amide C-N hydrolase) inhibitor) - -AnnotationAssertion( "An EC 3.5.* (hydrolases acting on non-peptide C-N bonds) inhibitor that interferes with the action of any non-peptide linear amide C-N hydrolase (EC 3.5.1.*).") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "EC 3.5.1.* (non-peptide linear amide C-N hydrolase) inhibitors") -AnnotationAssertion(Annotation( "ChEBI") "EC 3.5.1.* inhibitor") -AnnotationAssertion(Annotation( "ChEBI") "EC 3.5.1.* inhibitors") -AnnotationAssertion(Annotation( "ChEBI") "non-peptide linear amide C-N hydrolase (EC 3.5.1.*) inhibitor") -AnnotationAssertion(Annotation( "ChEBI") "non-peptide linear amide C-N hydrolase (EC 3.5.1.*) inhibitors") -AnnotationAssertion( "CHEBI:76807") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "EC 3.5.1.* (non-peptide linear amide C-N hydrolase) inhibitor") -SubClassOf( ) - -# Class: (EC 4.3.1.* (ammonia-lyase) inhibitor) - -AnnotationAssertion( "An EC 4.3.* (C-N lyase) inhibitor that interferes with the action of any ammonia-lyase (EC 4.3.1.*).") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "EC 4.3.1.* (ammonia-lyase) inhibitors") -AnnotationAssertion(Annotation( "ChEBI") "EC 4.3.1.* (ammonia-lyases) inhibitor") -AnnotationAssertion(Annotation( "ChEBI") "EC 4.3.1.* (ammonia-lyases) inhibitors") -AnnotationAssertion(Annotation( "ChEBI") "EC 4.3.1.* inhibitor") -AnnotationAssertion(Annotation( "ChEBI") "EC 4.3.1.* inhibitors") -AnnotationAssertion(Annotation( "ChEBI") "ammonia-lyase (EC 4.3.1.*) inhibitor") -AnnotationAssertion(Annotation( "ChEBI") "ammonia-lyase (EC 4.3.1.*) inhibitors") -AnnotationAssertion(Annotation( "ChEBI") "ammonia-lyase inhibitor") -AnnotationAssertion(Annotation( "ChEBI") "ammonia-lyase inhibitors") -AnnotationAssertion( "CHEBI:76832") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "EC 4.3.1.* (ammonia-lyase) inhibitor") -SubClassOf( ) - -# Class: (EC 1.9.3.* (oxidoreductase acting on donor heme group, oxygen as acceptor) inhibitor) - -AnnotationAssertion( "An EC 1.9.* (oxidoreductase acting on donor heme group) inhibitor that interferes with the action of any such enzyme using oxygen as acceptor (EC 1.9.3.*).") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "EC 1.9.3.* (oxidoreductase acting on donor heme group, oxygen as acceptor) inhibitors") -AnnotationAssertion(Annotation( "ChEBI") "EC 1.9.3.* inhibitor") -AnnotationAssertion(Annotation( "ChEBI") "EC 1.9.3.* inhibitors") -AnnotationAssertion(Annotation( "ChEBI") "oxidoreductase acting on donor heme group, oxygen as acceptor (EC 1.9.3.*) inhibitor") -AnnotationAssertion(Annotation( "ChEBI") "oxidoreductase acting on donor heme group, oxygen as acceptor (EC 1.9.3.*) inhibitors") -AnnotationAssertion( "CHEBI:76870") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "EC 1.9.3.* (oxidoreductase acting on donor heme group, oxygen as acceptor) inhibitor") -SubClassOf( ) - -# Class: (plant metabolite) - -AnnotationAssertion( "Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.") -AnnotationAssertion( "CHEBI:75766") -AnnotationAssertion( "CHEBI:76925") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "plant metabolites") -AnnotationAssertion(Annotation( "ChEBI") "plant secondary metabolites") -AnnotationAssertion( "CHEBI:76924") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "plant metabolite") -SubClassOf( ) - -# Class: (pathway inhibitor) - -AnnotationAssertion( "An enzyme inhibitor that interferes with one or more steps in a metabolic pathway.") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "metabolic pathway inhibitor") -AnnotationAssertion(Annotation( "ChEBI") "metabolic pathway inhibitors") -AnnotationAssertion(Annotation( "ChEBI") "pathway inhibitors") -AnnotationAssertion( "CHEBI:76932") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "pathway inhibitor") -SubClassOf( ) - -# Class: (fungal metabolite) - -AnnotationAssertion( "Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.") -AnnotationAssertion( "CHEBI:75765") -AnnotationAssertion( "CHEBI:76947") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "fungal metabolites") -AnnotationAssertion( "CHEBI:76946") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "fungal metabolite") -SubClassOf( ) - -# Class: (human xenobiotic metabolite) - -AnnotationAssertion( "Any human metabolite produced by metabolism of a xenobiotic compound in humans.") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "human xenobiotic metabolites") -AnnotationAssertion( "CHEBI:76967") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "human xenobiotic metabolite") -SubClassOf( ) -SubClassOf( ) - -# Class: (bacterial metabolite) - -AnnotationAssertion( "Any prokaryotic metabolite produced during a metabolic reaction in bacteria.") -AnnotationAssertion( "CHEBI:75760") -AnnotationAssertion( "CHEBI:76970") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion( "CHEBI:76969") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "bacterial metabolite") -SubClassOf( ) - -# Class: (Escherichia coli metabolite) - -AnnotationAssertion( "Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "E.coli metabolite") -AnnotationAssertion(Annotation( "ChEBI") "E.coli metabolites") -AnnotationAssertion(Annotation( "ChEBI") "Escherichia coli metabolites") -AnnotationAssertion( "CHEBI:76971") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "Escherichia coli metabolite") -SubClassOf( ) - -# Class: (bacterial xenobiotic metabolite) - -AnnotationAssertion( "Any bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria.") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "bacterial xenobiotic metabolites") -AnnotationAssertion( "CHEBI:76976") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "bacterial xenobiotic metabolite") -SubClassOf( ) -SubClassOf( ) - -# Class: (histological dye) - -AnnotationAssertion( "A dye used in microscopic or electron microscopic examination of cells and tissues to give contrast and to highlight particular features of interest, such as nuclei and cytoplasm.") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:21756020") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:21838612") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:23901948") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "biological stain") -AnnotationAssertion(Annotation( "ChEBI") "biological stains") -AnnotationAssertion(Annotation( "ChEBI") "histological dyes") -AnnotationAssertion(Annotation( "ChEBI") "histological stain") -AnnotationAssertion(Annotation( "ChEBI") "histological stains") -AnnotationAssertion( "CHEBI:77178") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "histological dye") -SubClassOf( ) - # Class: (nitromethane) AnnotationAssertion( "A primary nitroalkane that is methane in which one of the hydrogens is replace by a nitro group. A polar solvent (b.p. 101 degreeC), it is an important starting material in organic synthesis. It is also used as a fuel for rockets and radio-controlled models.") @@ -13494,110 +3434,9 @@ AnnotationAssertion(Annotation( "CHEBI:77701") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "nitromethane") -SubClassOf( ) -SubClassOf( ) +SubClassOf( ) +SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (EC 4.3.1.3 (histidine ammonia-lyase) inhibitor) - -AnnotationAssertion( "An EC 4.3.1.* (ammonia-lyase) inhibitor that interferes with the action of histidine ammonia-lyase (EC 4.3.1.3).") -AnnotationAssertion( "Wikipedia:Histidine_ammonia-lyase") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "EC 4.3.1.3 (histidine ammonia-lyase) inhibitors") -AnnotationAssertion(Annotation( "ChEBI") "EC 4.3.1.3 inhibitor") -AnnotationAssertion(Annotation( "ChEBI") "EC 4.3.1.3 inhibitors") -AnnotationAssertion(Annotation( "ChEBI") "L-histidine ammonia-lyase (urocanate-forming) inhibitor") -AnnotationAssertion(Annotation( "ChEBI") "L-histidine ammonia-lyase (urocanate-forming) inhibitors") -AnnotationAssertion(Annotation( "ChEBI") "L-histidine ammonia-lyase inhibitor") -AnnotationAssertion(Annotation( "ChEBI") "L-histidine ammonia-lyase inhibitors") -AnnotationAssertion(Annotation( "ChEBI") "histidase inhibitor") -AnnotationAssertion(Annotation( "ChEBI") "histidase inhibitors") -AnnotationAssertion(Annotation( "ChEBI") "histidinase inhibitor") -AnnotationAssertion(Annotation( "ChEBI") "histidinase inhibitors") -AnnotationAssertion(Annotation( "ChEBI") "histidine alpha-deaminase inhibitor") -AnnotationAssertion(Annotation( "ChEBI") "histidine alpha-deaminase inhibitors") -AnnotationAssertion(Annotation( "ChEBI") "histidine ammonia-lyase (EC 4.3.1.3) inhibitor") -AnnotationAssertion(Annotation( "ChEBI") "histidine ammonia-lyase (EC 4.3.1.3) inhibitors") -AnnotationAssertion(Annotation( "ChEBI") "histidine ammonia-lyase inhibitor") -AnnotationAssertion(Annotation( "ChEBI") "histidine ammonia-lyase inhibitors") -AnnotationAssertion( "CHEBI:77703") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "EC 4.3.1.3 (histidine ammonia-lyase) inhibitor") -SubClassOf( ) - -# Class: (human metabolite) - -AnnotationAssertion( "Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).") -AnnotationAssertion( "CHEBI:75770") -AnnotationAssertion( "CHEBI:77123") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "H. sapiens metabolite") -AnnotationAssertion(Annotation( "ChEBI") "H. sapiens metabolites") -AnnotationAssertion(Annotation( "ChEBI") "Homo sapiens metabolite") -AnnotationAssertion(Annotation( "ChEBI") "Homo sapiens metabolites") -AnnotationAssertion( "CHEBI:77746") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "human metabolite") -SubClassOf( ) - -# Class: (EC 3.5.1.4 (amidase) inhibitor) - -AnnotationAssertion( "An EC 3.5.1.* (non-peptide linear amide C-N hydrolase) inhibitor that interferes with the action of amidase (EC 3.5.1.4).") -AnnotationAssertion( "Wikipedia:Amidase") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "EC 3.5.1.4 (amidase) inhibitors") -AnnotationAssertion(Annotation( "ChEBI") "EC 3.5.1.4 inhibitor") -AnnotationAssertion(Annotation( "ChEBI") "EC 3.5.1.4 inhibitors") -AnnotationAssertion(Annotation( "ChEBI") "N-acetylaminohydrolase inhibitor") -AnnotationAssertion(Annotation( "ChEBI") "N-acetylaminohydrolase inhibitors") -AnnotationAssertion(Annotation( "ChEBI") "acylamidase inhibitor") -AnnotationAssertion(Annotation( "ChEBI") "acylamidase inhibitors") -AnnotationAssertion(Annotation( "ChEBI") "acylamide amidohydrolase inhibitor") -AnnotationAssertion(Annotation( "ChEBI") "acylamide amidohydrolase inhibitors") -AnnotationAssertion(Annotation( "ChEBI") "amidase (EC 3.5.1.4) inhibitor") -AnnotationAssertion(Annotation( "ChEBI") "amidase (EC 3.5.1.4) inhibitors") -AnnotationAssertion(Annotation( "ChEBI") "amidase inhibitor") -AnnotationAssertion(Annotation( "ChEBI") "amidase inhibitors") -AnnotationAssertion(Annotation( "ChEBI") "amidohydrolase inhibitor") -AnnotationAssertion(Annotation( "ChEBI") "amidohydrolase inhibitors") -AnnotationAssertion(Annotation( "ChEBI") "deaminase inhibitor") -AnnotationAssertion(Annotation( "ChEBI") "deaminase inhibitors") -AnnotationAssertion(Annotation( "ChEBI") "fatty acylamidase inhibitor") -AnnotationAssertion(Annotation( "ChEBI") "fatty acylamidase inhibitors") -AnnotationAssertion( "CHEBI:77941") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "EC 3.5.1.4 (amidase) inhibitor") -SubClassOf( ) - -# Class: (food packaging gas) - -AnnotationAssertion( "A food additive that is a (generally inert) gas which is used to envelop foodstuffs during packing and so protect them from unwanted chemical reactions such as food spoilage or oxidation during subsequent transport and storage. The term includes propellant gases, used to expel foods from a container.") -AnnotationAssertion( "Wikipedia:Packaging_gas") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "food packaging gases") -AnnotationAssertion( "CHEBI:77974") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "food packaging gas") -SubClassOf( ) - -# Class: (fatty acid anion 3:0) - -AnnotationAssertion( "Any saturated fatty acid anion containing 3 carbons. Formed by deprotonation of the carboxylic acid moiety. Major species at pH 7.3.") -AnnotationAssertion( "-1") -AnnotationAssertion( "C3H5O2") -AnnotationAssertion( "73.07060") -AnnotationAssertion( "73.02895") -AnnotationAssertion( "[O-]C([*])=O") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "UniProt") "fatty acid 3:0") -AnnotationAssertion( "CHEBI:78113") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "fatty acid anion 3:0") -SubClassOf( ) -SubClassOf( ) # Class: (acetone d6) @@ -13624,152 +3463,10 @@ AnnotationAssertion(Annotation( "CHEBI:78217") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "acetone d6") -SubClassOf( ) +SubClassOf( ) +SubClassOf( ) SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (food component) - -AnnotationAssertion( "A physiological role played by any substance that is distributed in foodstuffs. It includes materials derived from plants or animals, such as vitamins or minerals, as well as environmental contaminants.") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "dietary component") -AnnotationAssertion(Annotation( "ChEBI") "dietary components") -AnnotationAssertion(Annotation( "ChEBI") "food components") -AnnotationAssertion( "CHEBI:78295") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "food component") -SubClassOf( ) - -# Class: (environmental contaminant) - -AnnotationAssertion( "Any minor or unwanted substance introduced into the environment that can have undesired effects.") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "environmental contaminants") -AnnotationAssertion( "CHEBI:78298") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "environmental contaminant") -SubClassOf( ) - -# Class: (refrigerant) - -AnnotationAssertion( "A substance used in a thermodynamic heat pump cycle or refrigeration cycle that undergoes a phase change from a gas to a liquid and back. Refrigerants are used in air-conditioning systems and freezers or refrigerators and are assigned a \"R\" number (by ASHRAE - formerly the American Society of Heating, Refrigerating and Air Conditioning Engineers), which is determined systematically according to their molecular structure.") -AnnotationAssertion( "Wikipedia:Refrigerant") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "refrigerants") -AnnotationAssertion( "CHEBI:78433") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "refrigerant") -SubClassOf( ) - -# Class: (trivalent inorganic anion) - -AnnotationAssertion( "Any inorganic anion with a valency of three.") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "trivalent inorganic anions") -AnnotationAssertion( "CHEBI:79387") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "trivalent inorganic anion") -SubClassOf( ) - -# Class: (divalent inorganic anion) - -AnnotationAssertion( "Any inorganic anion with a valency of two.") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "divalent inorganic anions") -AnnotationAssertion( "CHEBI:79388") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "divalent inorganic anion") -SubClassOf( ) - -# Class: (monovalent inorganic anion) - -AnnotationAssertion( "Any inorganic anion with a valency of one.") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "monovalent inorganic anions") -AnnotationAssertion( "CHEBI:79389") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "monovalent inorganic anion") -SubClassOf( ) - -# Class: (aliphatic nitrile) - -AnnotationAssertion( "Any nitrile derived from an aliphatic compound.") -AnnotationAssertion( "0") -AnnotationAssertion( "CNR") -AnnotationAssertion( "26.017") -AnnotationAssertion( "26.00307") -AnnotationAssertion( "[*]C#N") -AnnotationAssertion( "KEGG:C16072") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "UniProt") "an aliphatic nitrile") -AnnotationAssertion( "CHEBI:80291") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "aliphatic nitrile") -SubClassOf( ) -SubClassOf( ) - -# Class: (crustacean metabolite) - -AnnotationAssertion( "An animal metabolite produced by arthropods such as crabs, lobsters, crayfish, shrimps and krill.") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "crustacean metabolites") -AnnotationAssertion( "CHEBI:83039") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "crustacean metabolite") -SubClassOf( ) - -# Class: (Daphnia magna metabolite) - -AnnotationAssertion( "A Daphnia metabolite produced by the species Daphnia magna.") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "Daphnia magna metabolites") -AnnotationAssertion( "CHEBI:83056") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "Daphnia magna metabolite") -SubClassOf( ) - -# Class: (Daphnia metabolite) - -AnnotationAssertion( "A crustacean metabolite produced by the genus of small planktonic arthropods, Daphnia") -AnnotationAssertion( "Wikipedia:Daphnia") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "Daphnia metabolites") -AnnotationAssertion( "CHEBI:83057") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "Daphnia metabolite") -SubClassOf( ) - -# Class: ((trifluoromethyl)benzenes) - -AnnotationAssertion( "An organofluorine compound that is (trifluoromethyl)benzene and derivatives arising from substitution of one or more of the phenyl hydrogens.") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion( "CHEBI:83565") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "(trifluoromethyl)benzenes") -SubClassOf( ) -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (monofluorobenzenes) - -AnnotationAssertion( "Any member of the class of fluorobenzenes containing a mono- or poly-substituted benzene ring carrying a single fluorine substitutent.") -AnnotationAssertion(Annotation( "ChEBI") "monofluorobenzenes") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion( "CHEBI:83575") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "monofluorobenzenes") -SubClassOf( ) - -# Class: (algal metabolite) - -AnnotationAssertion( "Any eukaryotic metabolite produced during a metabolic reaction in algae including unicellular organisms like chlorella and diatoms to multicellular organisms like giant kelps and brown algae.") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "algal metabolites") -AnnotationAssertion( "CHEBI:84735") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "algal metabolite") -SubClassOf( ) # Class: (tetramethylsilane) @@ -13796,7 +3493,7 @@ AnnotationAssertion(Annotation( "CHEBI:85361") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "tetramethylsilane") -SubClassOf( ) +SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) # Class: (3-(trimethylsilyl)propane-1-sulfonic acid) @@ -13820,10 +3517,8 @@ AnnotationAssertion(Annotation( "CHEBI:85362") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "3-(trimethylsilyl)propane-1-sulfonic acid") -SubClassOf( ) -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) +SubClassOf( ) +SubClassOf( ) # Class: (sodium 3-(trimethylsilyl)propionate) @@ -13846,9 +3541,8 @@ AnnotationAssertion(Annotation( "CHEBI:85363") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "sodium 3-(trimethylsilyl)propionate") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) +SubClassOf( ) +SubClassOf( ) # Class: (ammonium bromide) @@ -13869,9 +3563,8 @@ AnnotationAssertion(Annotation( "CHEBI:85364") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "ammonium bromide") -SubClassOf( ) -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) +SubClassOf( ) +SubClassOf( ) # Class: (deuterated chloroform) @@ -13900,32 +3593,10 @@ AnnotationAssertion(Annotation( "CHEBI:85365") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "deuterated chloroform") -SubClassOf( ) +SubClassOf( ) +SubClassOf( ) SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (3-(trimethylsilyl)propionate) - -AnnotationAssertion( "A monocarboxylic acid anion that is the conjugate base of 3-(trimethylsilyl)propionic acid, obtained by deprotonation of the carboxy group.") -AnnotationAssertion( "-1") -AnnotationAssertion( "C6H13O2Si") -AnnotationAssertion( "InChI=1S/C6H14O2Si/c1-9(2,3)5-4-6(7)8/h4-5H2,1-3H3,(H,7,8)/p-1") -AnnotationAssertion( "NONFLFDSOSZQHR-UHFFFAOYSA-M") -AnnotationAssertion( "145.25230") -AnnotationAssertion( "145.06903") -AnnotationAssertion( "C[Si](C)(C)CCC([O-])=O") -AnnotationAssertion(Annotation( "Reaxys") "Reaxys:3537181") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "3-(trimethylsilyl)propanoate") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "3-trimethylsilylpropanoate") -AnnotationAssertion(Annotation( "ChEBI") "3-trimethylsilylpropionate") -AnnotationAssertion( "CHEBI:85486") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "3-(trimethylsilyl)propionate") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) # Class: (3-(trimethylsilyl)propionic acid) @@ -13949,45 +3620,8 @@ AnnotationAssertion(Annotation( "CHEBI:85487") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "3-(trimethylsilyl)propionic acid") -SubClassOf( ) -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) - -# Class: (antifungal drug) - -AnnotationAssertion( "Any antifungal agent used to prevent or treat fungal infections in humans or animals.") -AnnotationAssertion( "Wikipedia:Antifungal") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "anti-fungal drug") -AnnotationAssertion(Annotation( "ChEBI") "anti-fungal drugs") -AnnotationAssertion(Annotation( "ChEBI") "anti-fungal medication") -AnnotationAssertion(Annotation( "ChEBI") "anti-fungal medications") -AnnotationAssertion(Annotation( "ChEBI") "antifungal drugs") -AnnotationAssertion(Annotation( "ChEBI") "antifungal medication") -AnnotationAssertion(Annotation( "ChEBI") "antifungal medications") -AnnotationAssertion(Annotation( "ChEBI") "pharmaceutical fungicide") -AnnotationAssertion(Annotation( "ChEBI") "pharmaceutical fungicides") -AnnotationAssertion( "CHEBI:86327") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "antifungal drug") -SubClassOf( ) -SubClassOf( ) -SubClassOf( ) - -# Class: (metal allergen) - -AnnotationAssertion( "Any metal which causes the onset of an allergic reaction.") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "allergenic metal") -AnnotationAssertion(Annotation( "ChEBI") "allergenic metals") -AnnotationAssertion(Annotation( "ChEBI") "metal allergens") -AnnotationAssertion( "CHEBI:88184") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "metal allergen") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) +SubClassOf( ) +SubClassOf( ) # Class: (osmium tetroxide) @@ -14017,12 +3651,9 @@ AnnotationAssertion(Annotation( "CHEBI:88215") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "osmium tetroxide") -SubClassOf( ) +SubClassOf( ) +SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) -SubClassOf( ObjectSomeValuesFrom( )) ) \ No newline at end of file diff --git a/src/ontology/imports/chebi_terms.txt b/src/ontology/imports/chebi_terms.txt index 11f89fd..2730cfe 100644 --- a/src/ontology/imports/chebi_terms.txt +++ b/src/ontology/imports/chebi_terms.txt @@ -1,3 +1,29 @@ +# needed root terms +CHEBI:33250 # atom +CHEBI:33252 # atomic nucleus +CHEBI:59999 # 'chemical substance' +CHEBI:23367 # 'molecular entity' + CHEBI:36357 # polyatomic entity + CHEBI:33579 # main group molecular entity + CHEBI:24835 # inorganic molecular entity + CHEBI:33259 # elemental molecular entity + CHEBI:33497 # transition element molecular entity + CHEBI:35568 # mancude ring + CHEBI:24870 # ion + +# object relations for needed axioms +BFO:0000051 # 'has part' +RO:0000087 # 'has role' + +# needed roles +CHEBI:51086 # 'chemical role' +CHEBI:197449 # NMR solvent +CHEBI:228364 # NMR chemical shift reference compound +CHEBI:67137 # NMR shift reagent + +CHEBI:139358 # isotopically modified compound +CHEBI:76107 # deuterated compound + CHEBI:156265 # methanol-d4 CHEBI:193038 # acetonitrile-d3 CHEBI:193039 # benzene-d6 @@ -24,7 +50,6 @@ CHEBI:41981 # dideuterium oxide CHEBI:48236 # trichlorofluoromethane CHEBI:78217 # acetone d6 CHEBI:85365 # deuterated chloroform -CHEBI:197449 # NMR solvent CHEBI:36810 # (trifluoromethyl)benzene CHEBI:38585 # 1,4-difluorobenzene CHEBI:47032 # 1,4-dioxane @@ -112,7 +137,7 @@ CHEBI:176578 # cobalt-59 atom # TODO: add gallium atom isotopes CHEBI:52758 # germanium-73 atom CHEBI:176584 # arsenic-75 atom -CHEBI:52457 # CHEBI:52457 +CHEBI:52457 # selenium-77 atom CHEBI:52743 # bromine-79 atom # TODO: add bromine atom isotopes # TODO: add krypton atom isotopes diff --git a/src/ontology/nmrCV-edit.owl b/src/ontology/nmrCV-edit.owl index 78b2503..5cd5a4e 100644 --- a/src/ontology/nmrCV-edit.owl +++ b/src/ontology/nmrCV-edit.owl @@ -3868,10 +3868,11 @@ AnnotationAssertion(dce:source "http://www. AnnotationAssertion(rdfs:label "AB multiplet pattern"@en) SubClassOf( ) -# Class: (NMR solvent) +# Class: (NMR solvent (molecular entity)) +AnnotationAssertion(obo:IAO_0000111 "NMR solvent"@en) AnnotationAssertion(obo:IAO_0000115 "A molecular entity that is used as a solvent in nuclear magnetic resonance (NMR) spectroscopy"@en) -AnnotationAssertion(rdfs:label "NMR solvent"@en) +AnnotationAssertion(Annotation(skos:editorialNote "We needed to add material entity in the label to avoid clashes with the similary labeled role class in CHEBI."@en) rdfs:label "NMR solvent (molecular entity)"@en) EquivalentClasses( ObjectIntersectionOf(obo:CHEBI_23367 ObjectSomeValuesFrom(obo:RO_0000087 obo:CHEBI_197449))) SubClassOf(Annotation(oboInOwl:is_inferred "true") obo:CHEBI_23367) @@ -6743,10 +6744,6 @@ SubClassOf( "Bruker WIN NMR format") SubClassOf( ) -# Class: obo:BFO_0000023 (role) - -EquivalentClasses(obo:BFO_0000023 obo:CHEBI_50906) - # Class: obo:CHEBI_156265 (methanol-d4) SubClassOf(Annotation(oboInOwl:is_inferred "true") obo:CHEBI_156265 ) @@ -6880,13 +6877,9 @@ SubClassOf(Annotation(oboInOwl:is_inferred "true") obo:CHEBI_229457 ) -# Class: obo:CHEBI_24431 (chemical entity) - -SubClassOf(obo:CHEBI_24431 obo:BFO_0000040) +# Class: obo:CHEBI_23367 (molecular entity) -# Class: obo:CHEBI_24432 (biological role) - -SubClassOf(Annotation(oboInOwl:is_inferred "true") obo:CHEBI_24432 obo:BFO_0000023) +SubClassOf(obo:CHEBI_23367 obo:BFO_0000040) # Class: obo:CHEBI_26078 (phosphoric acid) @@ -6934,7 +6927,15 @@ SubClassOf(Annotation(oboInOwl:is_inferred "true") obo:CHEBI_33093 ) +SubClassOf(Annotation(oboInOwl:is_inferred "true") obo:CHEBI_41981 ) # Class: obo:CHEBI_45892 (trifluoroacetic acid) @@ -6999,13 +7001,9 @@ SubClassOf(Annotation(oboInOwl:is_inferred "true") obo:CHEBI_47032 ) SubClassOf(Annotation(oboInOwl:is_inferred "true") obo:CHEBI_48236 ) -# Class: obo:CHEBI_50906 (role) - -SubClassOf(Annotation(oboInOwl:is_inferred "true") obo:CHEBI_50906 obo:BFO_0000017) - # Class: obo:CHEBI_51086 (chemical role) -SubClassOf(Annotation(oboInOwl:is_inferred "true") obo:CHEBI_51086 obo:BFO_0000023) +SubClassOf(obo:CHEBI_51086 obo:BFO_0000023) # Class: obo:CHEBI_5115 (monofluorobenzene) @@ -7019,6 +7017,10 @@ SubClassOf(Annotation(oboInOwl:is_inferred "true") obo:CHEBI_55317 ) +# Class: obo:CHEBI_59999 (chemical substance) + +SubClassOf(obo:CHEBI_59999 obo:BFO_0000040) + # Class: obo:CHEBI_63005 (sodium nitrate) SubClassOf(Annotation(oboInOwl:is_inferred "true") obo:CHEBI_63005 ) diff --git a/src/ontology/nmrCV-odk.yaml b/src/ontology/nmrCV-odk.yaml index 72511ac..edca0e1 100644 --- a/src/ontology/nmrCV-odk.yaml +++ b/src/ontology/nmrCV-odk.yaml @@ -52,4 +52,6 @@ import_group: - id: chebi is_large: true use_gzipped: true + # Using ROBOT filter in chmo.Makefile because the default ODK ROBOT extract method pulls in too much from CHEBI. + module_type: custom diff --git a/src/ontology/nmrCV.Makefile b/src/ontology/nmrCV.Makefile index 007fbae..e9754a4 100644 --- a/src/ontology/nmrCV.Makefile +++ b/src/ontology/nmrCV.Makefile @@ -13,4 +13,32 @@ $(IMPORTDIR)/obi_import.owl: $(MIRRORDIR)/obi.owl $(IMPORTDIR)/obi_terms.txt extract -T $(IMPORTDIR)/obi_terms.txt --force true --copy-ontology-annotations true --individuals exclude --method BOT \ query --update ../sparql/inject-subset-declaration.ru --update ../sparql/inject-synonymtype-declaration.ru --update ../sparql/postprocess-module.ru \ remove -T $(IMPORTDIR)/obi_remove_list.txt --select "self descendants instances" --signature true \ - $(ANNOTATE_CONVERT_FILE); fi \ No newline at end of file + $(ANNOTATE_CONVERT_FILE); fi + + +## Module for ontology: chebi + +# We use ROBOT filter instead of the default ODK ROBOT extract method because the latter pulls in too much from ChEBI. +# Using ROBOT filter like this allows us to only import the terms we need under their very general CHEBI 'root' parents. +# This ROBOT filter approach entails, that not all axioms of the imported terms are imported as well, +# e.g. currently only 'part of' and 'has role' relations between the terms specified in the chebi_import.txt are +# imported. +# If other axioms are needed in the future the nmrCV editors need to make sure to include the needed object properties +# and classes used in these, which is quite a time consuming task, but needed, as ROBOT extract pulls in too much +# and the CHEBI module would otherwise be too big to load. +# Since we also define classes based on the roles borne by some CHEBI terms, e.g. a 'chemical shift reference compound' +# is equivalent to "'molecular entity' and ('has role' some ''NMR chemical shift reference compound [role]')" +# we additionally run a reasoning step to materialize the subclassOf axioms needed to group these CHEBI terms under +# the classes we define. + +$(IMPORTDIR)/chebi_import.owl: $(MIRRORDIR)/chebi.owl $(IMPORTDIR)/chebi_terms_combined.txt + if [ $(IMP) = true ] && [ $(IMP_LARGE) = true ]; then $(ROBOT) \ + filter -i $< -T $(IMPORTDIR)/chebi_terms_combined.txt --signature false --select "annotations self" \ + --exclude-term http://purl.obolibrary.org/obo/CHEBI_24431 \ + --exclude-term http://purl.obolibrary.org/obo/CHEBI_24432 \ + --exclude-term http://purl.obolibrary.org/obo/CHEBI_50906 \ + query --update ../sparql/inject-subset-declaration.ru --update ../sparql/inject-synonymtype-declaration.ru \ + --update ../sparql/postprocess-module.ru \ + $(ANNOTATE_CONVERT_FILE); fi + $(ROBOT) reason --reasoner ELK -i $(SRC) --exclude-duplicate-axioms true --exclude-tautologies all --equivalent-classes-allowed asserted-only \ + --annotate-inferred-axioms true --axiom-generators "SubClass" convert -f ofn --output $(SRC) \ No newline at end of file