diff --git a/src/ontology/imports/chebi_import.owl b/src/ontology/imports/chebi_import.owl index 249eaba..c56214e 100644 --- a/src/ontology/imports/chebi_import.owl +++ b/src/ontology/imports/chebi_import.owl @@ -7,8 +7,8 @@ Prefix(rdfs:=) Ontology( - -Annotation(owl:versionInfo "2024-03-18") + +Annotation(owl:versionInfo "2024-08-16") Declaration(Class()) Declaration(Class()) @@ -26,6 +26,7 @@ Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) +Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) @@ -44,11 +45,17 @@ Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) +Declaration(Class()) +Declaration(Class()) +Declaration(Class()) +Declaration(Class()) +Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) +Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) @@ -81,6 +88,7 @@ Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) +Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) @@ -99,7 +107,7 @@ Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) -Declaration(Class()) +Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) @@ -128,6 +136,7 @@ Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) +Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) @@ -135,12 +144,14 @@ Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) +Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) +Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) @@ -197,19 +208,28 @@ 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()) @@ -219,11 +239,18 @@ Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) +Declaration(Class()) Declaration(Class()) Declaration(Class()) +Declaration(Class()) +Declaration(Class()) Declaration(Class()) Declaration(Class()) +Declaration(Class()) +Declaration(Class()) Declaration(Class()) +Declaration(Class()) +Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) @@ -250,11 +277,13 @@ Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) +Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) +Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) @@ -273,15 +302,22 @@ Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) +Declaration(Class()) Declaration(Class()) Declaration(Class()) +Declaration(Class()) Declaration(Class()) +Declaration(Class()) +Declaration(Class()) Declaration(Class()) Declaration(Class()) +Declaration(Class()) Declaration(Class()) -Declaration(Class()) -Declaration(Class()) +Declaration(Class()) +Declaration(Class()) Declaration(Class()) +Declaration(Class()) +Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) @@ -289,6 +325,7 @@ Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) +Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) @@ -313,6 +350,7 @@ Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) +Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) @@ -352,8 +390,8 @@ Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) -Declaration(Class()) Declaration(Class()) +Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) @@ -423,8 +461,6 @@ Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) -Declaration(Class()) -Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) @@ -450,14 +486,19 @@ Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) +Declaration(Class()) +Declaration(Class()) +Declaration(Class()) +Declaration(Class()) +Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) +Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) -Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) @@ -471,6 +512,10 @@ Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) +Declaration(Class()) +Declaration(Class()) +Declaration(Class()) +Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) @@ -536,7 +581,10 @@ Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) +Declaration(Class()) Declaration(Class()) +Declaration(Class()) +Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) @@ -549,11 +597,11 @@ Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) +Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) -Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) @@ -562,6 +610,7 @@ Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) +Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) @@ -574,7 +623,33 @@ Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) +Declaration(Class()) +Declaration(Class()) +Declaration(Class()) +Declaration(Class()) +Declaration(Class()) +Declaration(Class()) +Declaration(Class()) +Declaration(Class()) +Declaration(Class()) +Declaration(Class()) +Declaration(Class()) +Declaration(Class()) +Declaration(Class()) +Declaration(Class()) +Declaration(Class()) +Declaration(Class()) Declaration(Class()) +Declaration(Class()) +Declaration(Class()) +Declaration(Class()) +Declaration(Class()) +Declaration(Class()) +Declaration(Class()) +Declaration(Class()) +Declaration(Class()) +Declaration(Class()) +Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) @@ -595,6 +670,10 @@ Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) +Declaration(Class()) +Declaration(Class()) +Declaration(Class()) +Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) @@ -656,6 +735,7 @@ Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) +Declaration(Class()) Declaration(Class()) Declaration(ObjectProperty()) Declaration(ObjectProperty()) @@ -666,6 +746,8 @@ Declaration(ObjectProperty()) Declaration(ObjectProperty()) Declaration(AnnotationProperty()) +Declaration(AnnotationProperty()) +Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) @@ -1193,6 +1275,34 @@ SubClassOf( ObjectSomeValuesFrom( 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.") @@ -1930,6 +2040,161 @@ SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) +# Class: (calcium-43 atom) + +AnnotationAssertion( "A minor stable isotope of calcium with relative atomic mass 42.95877 and 0.135 atom percent natural abundance.") +AnnotationAssertion( "0") +AnnotationAssertion( "[43Ca]") +AnnotationAssertion( "InChI=1S/Ca/i1+3") +AnnotationAssertion( "OYPRJOBELJOOCE-AKLPVKDBSA-N") +AnnotationAssertion( "42.959") +AnnotationAssertion( "42.95877") +AnnotationAssertion( "[43Ca]") +AnnotationAssertion(Annotation( "ChemIDplus") "CAS:14333-06-3") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:11859764") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:19117733") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:20463996") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:20574585") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:23163540") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:23398971") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:24874995") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:25306191") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:29770988") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:6548252") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "((43)Ca)calcium") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "ChEBI") "(43)20Ca") +AnnotationAssertion(Annotation( "ChemIDplus") "(43)Ca") +AnnotationAssertion(Annotation( "ChEBI") "(43)calcium") +AnnotationAssertion(Annotation( "ChEBI") "Ca-43") +AnnotationAssertion(Annotation( "ChemIDplus") "calcium, isotope of mass 43") +AnnotationAssertion(Annotation( "ChemIDplus") "calcium-43") +AnnotationAssertion(Annotation( "ChEBI") "calcium-43 isotope") +AnnotationAssertion( "CHEBI:176566") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "calcium-43 atom") +SubClassOf( ) + +# Class: (rubidium-85 atom) + +AnnotationAssertion( "A stable isotope of rubidium with relative atomic mass 84.91179, 72.17 atom percent natural abundance and nuclear spin 5/2.") +AnnotationAssertion( "0") +AnnotationAssertion( "[85Rb]") +AnnotationAssertion( "InChI=1S/Rb/i1+0") +AnnotationAssertion( "IGLNJRXAVVLDKE-IGMARMGPSA-N") +AnnotationAssertion( "84.912") +AnnotationAssertion( "84.91179") +AnnotationAssertion( "[85Rb]") +AnnotationAssertion(Annotation( "ChemIDplus") "CAS:13982-12-2") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:18026483") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:18033464") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:18291893") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:18382518") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:19855587") +AnnotationAssertion(Annotation( "SUBMITTER") "PMID:25087142") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:32909800") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:33709729") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:34170158") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "((85)Rb)rubidium") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "ChEBI") "(85)37Rb") +AnnotationAssertion(Annotation( "ChemIDplus") "(85)Rb") +AnnotationAssertion(Annotation( "ChEBI") "Rb-85") +AnnotationAssertion(Annotation( "ChemIDplus") "rubidium, isotope of mass 85") +AnnotationAssertion(Annotation( "ChemIDplus") "rubidium-85") +AnnotationAssertion( "CHEBI:176572") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "rubidium-85 atom") +SubClassOf( ) + +# Class: (cobalt-59 atom) + +AnnotationAssertion( "A stable isotope of cobalt with relative atomic mass 58.93319, 100 atom percent natural abundance and nuclear spin 7/2.") +AnnotationAssertion( "0") +AnnotationAssertion( "[59Co]") +AnnotationAssertion( "InChI=1S/Co/i1+0") +AnnotationAssertion( "GUTLYIVDDKVIGB-IGMARMGPSA-N") +AnnotationAssertion( "58.933") +AnnotationAssertion( "58.93319") +AnnotationAssertion( "[59Co]") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:10617436") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:10940985") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:11421673") +AnnotationAssertion(Annotation( "SUBMITTER") "PMID:11528329") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:12943912") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:19150229") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:19421527") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:25069794") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:25169133") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:26066447") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:26641288") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:27355901") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:30137661") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:31367328") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:32478347") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "((59)Co)cobalt") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "ChEBI") "(59)27Co") +AnnotationAssertion(Annotation( "ChEBI") "(59)Co") +AnnotationAssertion(Annotation( "ChEBI") "Co-59") +AnnotationAssertion(Annotation( "ChEBI") "cobalt, isotope of mass 59") +AnnotationAssertion(Annotation( "ChEBI") "cobalt-(59)Co") +AnnotationAssertion(Annotation( "ChEBI") "cobalt-59") +AnnotationAssertion( "CHEBI:176578") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "cobalt-59 atom") +SubClassOf( ) + +# Class: (manganese-55 atom) + +AnnotationAssertion( "A stable isotope of manganese with relative atomic mass 54.93804, 100 atom percent natural abundance and nuclear spin 5/2.") +AnnotationAssertion( "0") +AnnotationAssertion( "[55Mn]") +AnnotationAssertion( "InChI=1S/Mn/i1+0") +AnnotationAssertion( "PWHULOQIROXLJO-IGMARMGPSA-N") +AnnotationAssertion( "54.938") +AnnotationAssertion( "54.93804") +AnnotationAssertion( "[55Mn]") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:20645339") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:21058720") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:21341708") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:24993844") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:25179135") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:25891681") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "((55)Mn)manganese") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "ChEBI") "(55)25Mn") +AnnotationAssertion(Annotation( "ChEBI") "(55)Mn") +AnnotationAssertion(Annotation( "ChEBI") "Mn-55") +AnnotationAssertion(Annotation( "ChEBI") "manganese, isotope of mass 55") +AnnotationAssertion(Annotation( "ChEBI") "manganese-55") +AnnotationAssertion( "CHEBI:176583") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "manganese-55 atom") +SubClassOf( ) + +# Class: (arsenic-75 atom) + +AnnotationAssertion( "A stable isotope of arsenic with relative atomic mass 74.921596, 100 atom percent natural abundance and nuclear spin 3/2.") +AnnotationAssertion( "0") +AnnotationAssertion( "[75As]") +AnnotationAssertion( "InChI=1S/As/i1+0") +AnnotationAssertion( "RQNWIZPPADIBDY-IGMARMGPSA-N") +AnnotationAssertion( "74.922") +AnnotationAssertion( "74.92159") +AnnotationAssertion( "[75As]") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "((75)As)arsenic") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "ChEBI") "(75)33As") +AnnotationAssertion(Annotation( "ChEBI") "(75)As") +AnnotationAssertion(Annotation( "ChEBI") "As-75") +AnnotationAssertion(Annotation( "ChEBI") "arsenic, isotope of mass 75") +AnnotationAssertion(Annotation( "ChEBI") "arsenic-75") +AnnotationAssertion( "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).") @@ -2042,6 +2307,39 @@ 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.") @@ -2132,8 +2430,9 @@ AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:14265-44-2") AnnotationAssertion(Annotation( "Gmelin") "Gmelin:1997") AnnotationAssertion( "KEGG:C00009") -AnnotationAssertion(Annotation( "ChEBI") "PDBeChem:PO4") +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-)") @@ -2754,7 +3053,7 @@ AnnotationAssertion(rdfs:label "1- SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) -# Class: (NMR solvent role) +# Class: (NMR solvent) AnnotationAssertion( "A solvent used in nuclear magnetic resonance (NMR) spectroscopy.") AnnotationAssertion( "chebi_ontology") @@ -2763,7 +3062,7 @@ AnnotationAssertion(Annotation( "SUBMITTER") "NMR-Loesungsmittel") AnnotationAssertion( "CHEBI:197449") AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "NMR solvent role") +AnnotationAssertion(rdfs:label "NMR solvent") SubClassOf( ) # Class: (sulfoxide) @@ -2793,6 +3092,26 @@ AnnotationAssertion( "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") @@ -2905,13 +3224,16 @@ AnnotationAssertion( "195.330") AnnotationAssertion( "195.05167") AnnotationAssertion( "C[Si](C)(C)CCCS([O-])(=O)=O") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:34273131") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:37904798") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:38404187") AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "3-(trimethylsilyl)propane-1-sulfonate") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "2,2-dimethyl-2-silapentane-5-sulfonate") AnnotationAssertion(Annotation( "ChEBI") "3-(trimethylsilyl)-1-propanesulfonate") AnnotationAssertion(Annotation( "ChEBI") "DSS anion") AnnotationAssertion( "CHEBI:228806") -AnnotationAssertion( ) +AnnotationAssertion( ) AnnotationAssertion(rdfs:label "3-(trimethylsilyl)propane-1-sulfonate") SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) @@ -3011,33 +3333,62 @@ SubClassOf( ObjectSomeValuesFrom( (dimethylcadmium) +AnnotationAssertion( "An organocadmium compound that is cadmium substituted by two methyl groups.") AnnotationAssertion( "0") -AnnotationAssertion( "CH3.CH3.Cd") -AnnotationAssertion( "InChI=1S/2CH3.Cd/h2*1H3;/q2*-1;+2") -AnnotationAssertion( "VQNPSCRXHSIJTH-UHFFFAOYSA-N") +AnnotationAssertion( "C2H6Cd") +AnnotationAssertion( "InChI=1S/2CH3.Cd/h2*1H3;") +AnnotationAssertion( "KVVGSXJGEUULNM-UHFFFAOYSA-N") AnnotationAssertion( "142.484") AnnotationAssertion( "143.95031") -AnnotationAssertion( "[Cd+2].[CH3-].[CH3-]") +AnnotationAssertion( "C[Cd]C") +AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:506-82-1") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:11671234") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:1916391") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:22295998") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:22409081") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:27457504") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:28125780") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:28613888") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:31145405") +AnnotationAssertion( "Wikipedia:Dimethylcadmium") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "dimethylcadmium") AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "ChEBI") "Me2Cd") +AnnotationAssertion(Annotation( "ChEBI") "cadmium(2+) carbanide") AnnotationAssertion( "CHEBI:229455") -AnnotationAssertion( ) +AnnotationAssertion( ) AnnotationAssertion(rdfs:label "dimethylcadmium") -SubClassOf( ) +SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) # Class: (xenon oxytetrafluoride) +AnnotationAssertion( "A xenon molecular entity comprising of a central xenon atom that carries four fluoro groups and one oxo group.") AnnotationAssertion( "0") AnnotationAssertion( "F4OXe") AnnotationAssertion( "InChI=1S/F4OXe/c1-6(2,3,4)5") AnnotationAssertion( "ONRYXFFHIXYZMZ-UHFFFAOYSA-N") AnnotationAssertion( "223.286") AnnotationAssertion( "223.89268") -AnnotationAssertion( "[Xe](F)(F)(F)(F)=O") +AnnotationAssertion( "F[Xe](F)(F)(F)=O") +AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:13774-85-1") +AnnotationAssertion( "Wikipedia:Xenon_oxytetrafluoride") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "tetrafluoro(oxido)xenon") +AnnotationAssertion(Annotation( "ChEBI") "xenon oxytetrafluoride") AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "ChEBI") "XeOF4") +AnnotationAssertion(Annotation( "ChEBI") "xenon fluoride oxide (XeF4O)") +AnnotationAssertion(Annotation( "ChEBI") "xenon fluoride oxide (XeOF4)") +AnnotationAssertion(Annotation( "ChEBI") "xenon monoxide tetrafluoride") +AnnotationAssertion(Annotation( "ChEBI") "xenon oxide fluoride (XeOF4)") +AnnotationAssertion(Annotation( "ChEBI") "xenon oxyfluoride (XeOF4)") +AnnotationAssertion(Annotation( "ChEBI") "xenon tetrafluoride monoxide") +AnnotationAssertion(Annotation( "ChEBI") "xenon tetrafluoride oxide") AnnotationAssertion( "CHEBI:229456") -AnnotationAssertion( ) +AnnotationAssertion( ) AnnotationAssertion(rdfs:label "xenon oxytetrafluoride") +SubClassOf( ) +SubClassOf( ) SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) @@ -3054,21 +3405,44 @@ AnnotationAssertion(rdfs:label "rh SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) -# Class: (titan(III)-nitrate) +# Class: (thallium(III) nitrate) +AnnotationAssertion( "The inorganic nitrate salt of thallium(III).") AnnotationAssertion( "0") AnnotationAssertion( "NO3.NO3.NO3.Tl") AnnotationAssertion( "InChI=1S/3NO3.Tl/c3*2-1(3)4;/q3*-1;+3") AnnotationAssertion( "KLBIUKJOZFWCLW-UHFFFAOYSA-N") AnnotationAssertion( "390.390") AnnotationAssertion( "390.93788") -AnnotationAssertion( "[N+]([O-])([O-])=O.[N+]([O-])([O-])=O.[N+]([O-])([O-])=O.[Tl+3]") +AnnotationAssertion( "[Tl+3].[O-][N+]([O-])=O.[O-][N+]([O-])=O.[O-][N+]([O-])=O") +AnnotationAssertion(Annotation( "ChEBI") "CAS:13746-98-0") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:12003571") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:1219781") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:13464463") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:15433618") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:20377233") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:20472438") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:25891454") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:33577652") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:38104746") +AnnotationAssertion( "Wikipedia:Thallium(III)_nitrate") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "thallium(3+) trinitrate") AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "ChEBI") "Tl(NO3)3") +AnnotationAssertion(Annotation( "ChEBI") "nitric acid thallium(3+) salt") +AnnotationAssertion(Annotation( "ChEBI") "nitric acid, thallium(3+) salt") +AnnotationAssertion(Annotation( "ChEBI") "nitric acid, thallium(3+) salt (3:1)") +AnnotationAssertion(Annotation( "ChEBI") "thallic nitrate") +AnnotationAssertion(Annotation( "ChEBI") "thallium nitrate") +AnnotationAssertion(Annotation( "ChEBI") "thallium trinitrate") +AnnotationAssertion(Annotation( "ChEBI") "trinitric acid thallium(III) salt") AnnotationAssertion( "CHEBI:229458") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "titan(III)-nitrate") -SubClassOf( ) +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "thallium(III) nitrate") +SubClassOf( ) +SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) +SubClassOf( ObjectSomeValuesFrom( )) # Class: (cadmium atom) @@ -3096,16 +3470,33 @@ AnnotationAssertion( "cadmium atom") SubClassOf( ) -# Class: (cadmium molecular entity) - -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "cadmium compounds") -AnnotationAssertion(Annotation( "ChEBI") "cadmium molecular entities") -AnnotationAssertion( "CHEBI:22978") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "cadmium molecular entity") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) +# 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) @@ -3489,6 +3880,33 @@ AnnotationAssertion( "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(-)).") @@ -3574,6 +3992,35 @@ AnnotationAssertion( "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.") @@ -3668,6 +4115,34 @@ AnnotationAssertion(rdfs:label "lea 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") @@ -4558,6 +5033,37 @@ 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") @@ -4656,6 +5162,42 @@ 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") @@ -4766,6 +5308,40 @@ 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.") @@ -4859,6 +5435,39 @@ SubClassOf( ObjectSomeValuesFrom( 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.") @@ -5018,6 +5627,133 @@ SubClassOf( ObjectSomeValuesFrom( 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( ) + +# Class: (protium atom) + +AnnotationAssertion( "The stable isotope of hydrogen with relative atomic mass 1.007825 and a natural abundance of 99.9885 atom percent (from Greek pirhoomegatauomicronsigma, first).") +AnnotationAssertion( "0") +AnnotationAssertion( "[1H]") +AnnotationAssertion( "InChI=1S/H/i1+0") +AnnotationAssertion( "YZCKVEUIGOORGS-IGMARMGPSA-N") +AnnotationAssertion( "1.008") +AnnotationAssertion( "1.00783") +AnnotationAssertion( "[1H]") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "protium") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "IUPAC") "(1)1H") +AnnotationAssertion(Annotation( "IUPAC") "(1)H") +AnnotationAssertion(Annotation( "ChEBI") "hydrogen-1") +AnnotationAssertion(Annotation( "ChEBI") "protio") +AnnotationAssertion(Annotation( "ChEBI") "protium") +AnnotationAssertion( "CHEBI:29236") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "protium atom") +SubClassOf( ) +SubClassOf( ObjectSomeValuesFrom( )) + +# Class: (deuterium atom) + +AnnotationAssertion( "The stable isotope of hydrogen with relative atomic mass 2.014102 and a natural abundance of 0.0115 atom percent (from Greek deltaepsilonupsilontauepsilonrhoomicronnu, second).") +AnnotationAssertion( "0") +AnnotationAssertion( "D") +AnnotationAssertion( "InChI=1S/H2/h1H/i1+1") +AnnotationAssertion( "UFHFLCQGNIYNRP-OUBTZVSYSA-N") +AnnotationAssertion( "2.014") +AnnotationAssertion( "2.01410") +AnnotationAssertion( "[2H]") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "deuterium") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "IUPAC") "(2)1H") +AnnotationAssertion(Annotation( "IUPAC") "(2)H") +AnnotationAssertion(Annotation( "IUPAC") "D") +AnnotationAssertion(Annotation( "ChEBI") "Deuterium") +AnnotationAssertion(Annotation( "ChEBI") "deuterio") +AnnotationAssertion(Annotation( "ChEBI") "deuterium") +AnnotationAssertion(Annotation( "ChEBI") "heavy hydrogen") +AnnotationAssertion(Annotation( "ChEBI") "hidrogeno pesado") +AnnotationAssertion(Annotation( "ChEBI") "hydrogen-2") +AnnotationAssertion(Annotation( "ChEBI") "schwerer Wasserstoff") +AnnotationAssertion( "CHEBI:29237") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "deuterium atom") +SubClassOf( ) +SubClassOf( ObjectSomeValuesFrom( )) + +# Class: (tritium atom) + +AnnotationAssertion( "The radioactive isotope of hydrogen with relative atomic mass 3.016049 and half-life of 12.33 years (from Greek taurhoiotatauomicronsigma, third).") +AnnotationAssertion( "0") +AnnotationAssertion( "T") +AnnotationAssertion( "InChI=1S/H2/h1H/i1+2") +AnnotationAssertion( "UFHFLCQGNIYNRP-NJFSPNSNSA-N") +AnnotationAssertion( "3.016") +AnnotationAssertion( "3.01605") +AnnotationAssertion( "[3H]") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "tritium") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "IUPAC") "(3)1H") +AnnotationAssertion(Annotation( "IUPAC") "(3)H") +AnnotationAssertion(Annotation( "IUPAC") "T") +AnnotationAssertion(Annotation( "ChEBI") "hydrogen-3") +AnnotationAssertion(Annotation( "ChEBI") "tritio") +AnnotationAssertion(Annotation( "ChEBI") "tritium") +AnnotationAssertion(Annotation( "ChEBI") "ueberschwerer Wasserstoff") +AnnotationAssertion( "CHEBI:29238") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "tritium atom") +SubClassOf( ) +SubClassOf( ObjectSomeValuesFrom( )) + # Class: (azanide) AnnotationAssertion( "-1") @@ -5242,6 +5978,29 @@ AnnotationAssertion(rdfs:label "hex 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( ) + # Class: (tetramethyllead) AnnotationAssertion( "0") @@ -5295,6 +6054,52 @@ AnnotationAssertion(rdfs:label "hel 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.") +AnnotationAssertion( "0") +AnnotationAssertion( "[3He]") +AnnotationAssertion( "InChI=1S/He/i1-1") +AnnotationAssertion( "SWQJXJOGLNCZEY-BJUDXGSMSA-N") +AnnotationAssertion( "3.016") +AnnotationAssertion( "3.01603") +AnnotationAssertion( "[3He]") +AnnotationAssertion(Annotation( "ChemIDplus") "CAS:14762-55-1") +AnnotationAssertion(Annotation( "Gmelin") "Gmelin:14208") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "helium-3") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "IUPAC") "(3)2He") +AnnotationAssertion(Annotation( "IUPAC") "(3)He") +AnnotationAssertion(Annotation( "ChemIDplus") "(3He)helium") +AnnotationAssertion(Annotation( "ChemIDplus") "helium, isotope of mass 3") +AnnotationAssertion(Annotation( "ChEBI") "helium-3") +AnnotationAssertion( "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( ) + # Class: (difluorine) AnnotationAssertion( "0") @@ -5345,6 +6150,43 @@ 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.") @@ -5377,6 +6219,55 @@ AnnotationAssertion(rdfs:label "tet 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") @@ -5846,7 +6737,8 @@ AnnotationAssertion( ) AnnotationAssertion(rdfs:label "organic group") SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) +SubClassOf( ObjectSomeValuesFrom( )) +SubClassOf( ObjectSomeValuesFrom( )) # Class: (hydrocarbyl group) @@ -5897,6 +6789,23 @@ 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.") @@ -5974,6 +6883,16 @@ 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.") @@ -6229,6 +7148,24 @@ AnnotationAssertion(rdfs:label "mon 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") @@ -6255,6 +7192,23 @@ AnnotationAssertion( "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") @@ -6265,6 +7219,57 @@ AnnotationAssertion( "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") @@ -6302,6 +7307,34 @@ AnnotationAssertion( "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") @@ -6313,42 +7346,43 @@ AnnotationAssertion( "zinc group element atom") SubClassOf( ) -# Class: (titanium atom) - -AnnotationAssertion( "0") -AnnotationAssertion( "Ti") -AnnotationAssertion( "InChI=1S/Ti") -AnnotationAssertion( "RTAQQCXQSZGOHL-UHFFFAOYSA-N") -AnnotationAssertion( "47.86700") -AnnotationAssertion( "47.94794") -AnnotationAssertion( "[Ti]") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:7440-32-6") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:7440-32-6") -AnnotationAssertion( "WebElements:Ti") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "titanium") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "IUPAC") "22Ti") -AnnotationAssertion(Annotation( "IUPAC") "Ti") -AnnotationAssertion(Annotation( "ChEBI") "Titan") -AnnotationAssertion(Annotation( "ChEBI") "titane") -AnnotationAssertion(Annotation( "ChEBI") "titanio") -AnnotationAssertion(Annotation( "ChEBI") "titanium") -AnnotationAssertion( "CHEBI:33341") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "titanium atom") -SubClassOf( ) - -# Class: (titanium group element atom) - -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "group 4 elements") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "titanium group element") -AnnotationAssertion(Annotation( "ChEBI") "titanium group elements") -AnnotationAssertion( "CHEBI:33345") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "titanium group element atom") -SubClassOf( ) -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) @@ -6362,6 +7396,43 @@ AnnotationAssertion(rdfs:label "chr 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") @@ -6477,6 +7548,27 @@ AnnotationAssertion(rdfs:label "cop SubClassOf( ) SubClassOf( ) +# Class: (technetium-99) + +AnnotationAssertion( "0") +AnnotationAssertion( "[99Tc]") +AnnotationAssertion( "InChI=1S/Tc/i1+1") +AnnotationAssertion( "GKLVYJBZJHMRIY-OUBTZVSYSA-N") +AnnotationAssertion( "98.906") +AnnotationAssertion( "98.90625") +AnnotationAssertion( "[99Tc]") +AnnotationAssertion(Annotation( "ChemIDplus") "CAS:14133-76-7") +AnnotationAssertion(Annotation( "Gmelin") "Gmelin:41657") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "technetium-99") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "IUPAC") "(99)43Tc") +AnnotationAssertion(Annotation( "IUPAC") "(99)Tc") +AnnotationAssertion(Annotation( "ChemIDplus") "technetium, isotope of mass 99") +AnnotationAssertion( "CHEBI:33371") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "technetium-99") +SubClassOf( ) + # Class: (sulfur oxoacid) AnnotationAssertion( "chebi_ontology") @@ -6787,12 +7879,22 @@ AnnotationAssertion(rdfs:label "d-b 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( "45.01740") +AnnotationAssertion( "45.017") AnnotationAssertion( "44.99765") AnnotationAssertion( "OC([*])=O") AnnotationAssertion( "CHEBI:13428") @@ -7286,18 +8388,6 @@ SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) -# Class: (titanium group molecular entity) - -AnnotationAssertion(Annotation( "ChEBI") "titanium group molecular entity") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "titanium group molecular entities") -AnnotationAssertion( "CHEBI:33768") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "titanium group molecular entity") -SubClassOf( ) -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - # Class: (scandium group molecular entity) AnnotationAssertion(Annotation( "ChEBI") "scandium group molecular entity") @@ -7310,6 +8400,29 @@ AnnotationAssertion(rdfs:label "sca SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) +# Class: (oxygen-17 atom) + +AnnotationAssertion( "The stable isotope of oxygen with relative atomic mass 16.999131. The least abundant (0.038 atom percent) isotope of naturally occurring oxygen.") +AnnotationAssertion( "0") +AnnotationAssertion( "[17O]") +AnnotationAssertion( "InChI=1S/O/i1+1") +AnnotationAssertion( "QVGXLLKOCUKJST-OUBTZVSYSA-N") +AnnotationAssertion( "16.999") +AnnotationAssertion( "16.99913") +AnnotationAssertion( "[17O]") +AnnotationAssertion(Annotation( "ChemIDplus") "CAS:13968-48-4") +AnnotationAssertion(Annotation( "Gmelin") "Gmelin:17561") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "oxygen-17") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "IUPAC") "(17)8O") +AnnotationAssertion(Annotation( "IUPAC") "(17)O") +AnnotationAssertion(Annotation( "ChemIDplus") "oxygen, isotope of mass 17") +AnnotationAssertion(Annotation( "ChEBI") "oxygen-17") +AnnotationAssertion( "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.") @@ -8224,28 +9337,6 @@ AnnotationAssertion(rdfs:label "sat SubClassOf( ) SubClassOf( ) -# Class: (zinc group coordination entity) - -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "zinc group coordination compounds") -AnnotationAssertion(Annotation( "ChEBI") "zinc group coordination entities") -AnnotationAssertion( "CHEBI:36563") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "zinc group coordination entity") -SubClassOf( ) -SubClassOf( ) - -# Class: (cadmium coordination entity) - -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "cadmium coordination compounds") -AnnotationAssertion(Annotation( "ChEBI") "cadmium coordination entities") -AnnotationAssertion( "CHEBI:36565") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "cadmium coordination entity") -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.") @@ -8609,6 +9700,92 @@ AnnotationAssertion(rdfs:label "ant SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) +# Class: (elemental antimony) + +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion( "CHEBI:36922") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "elemental antimony") +SubClassOf( ) + +# Class: (carbon-13 atom) + +AnnotationAssertion( "0") +AnnotationAssertion( "[13C]") +AnnotationAssertion( "InChI=1S/C/i1+1") +AnnotationAssertion( "OKTJSMMVPCPJKN-OUBTZVSYSA-N") +AnnotationAssertion( "13.003") +AnnotationAssertion( "13.00335") +AnnotationAssertion( "[13C]") +AnnotationAssertion(Annotation( "ChemIDplus") "CAS:14762-74-4") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "carbon-13") +AnnotationAssertion(Annotation( "ChemIDplus") "carbon-13 atom") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "IUPAC") "(13)6C") +AnnotationAssertion(Annotation( "IUPAC") "(13)C") +AnnotationAssertion(Annotation( "ChemIDplus") "carbon, isotope of mass 13") +AnnotationAssertion(Annotation( "ChEBI") "carbon-13") +AnnotationAssertion( "CHEBI:36928") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "carbon-13 atom") +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(Annotation( "ChemIDplus") "CAS:14390-96-6") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "nitrogen-15") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "IUPAC") "(15)7N") +AnnotationAssertion(Annotation( "IUPAC") "(15)N") +AnnotationAssertion(Annotation( "ChemIDplus") "nitrogen, isotope of mass 15") +AnnotationAssertion(Annotation( "ChEBI") "nitrogen-15") +AnnotationAssertion( "CHEBI:36934") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "nitrogen-15 atom") +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( "14.00307") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "nitrogen-14") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "IUPAC") "(14)7N") +AnnotationAssertion(Annotation( "IUPAC") "(14)N") +AnnotationAssertion(Annotation( "ChEBI") "nitrogen-14") +AnnotationAssertion( "CHEBI:36938") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "nitrogen-14 atom") +SubClassOf( ) + +# Class: (fluorine-19 atom) + +AnnotationAssertion( "The stable isotope of fluorine with relative atomic mass 18.998403 and nuclear spin (1)/2.") +AnnotationAssertion( "0") +AnnotationAssertion( "[19F]") +AnnotationAssertion( "InChI=1S/F/i1+0") +AnnotationAssertion( "YCKRFDGAMUMZLT-IGMARMGPSA-N") +AnnotationAssertion( "18.998") +AnnotationAssertion( "18.99840") +AnnotationAssertion( "[19F]") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "fluorine-19") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "IUPAC") "(19)9F") +AnnotationAssertion(Annotation( "ChEBI") "(19)F") +AnnotationAssertion(Annotation( "ChEBI") "fluorine-19") +AnnotationAssertion( "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.") @@ -8647,6 +9824,18 @@ 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.") @@ -8701,18 +9890,6 @@ AnnotationAssertion(rdfs:label "ytt SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) -# Class: (titanium molecular entity) - -AnnotationAssertion(Annotation( "ChEBI") "titanium molecular entity") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "titanium compounds") -AnnotationAssertion(Annotation( "ChEBI") "titanium molecular entities") -AnnotationAssertion( "CHEBI:37217") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "titanium molecular entity") -SubClassOf( ) -SubClassOf( ObjectSomeValuesFrom( )) - # Class: (elemental sodium) AnnotationAssertion( "chebi_ontology") @@ -8875,6 +10052,91 @@ AnnotationAssertion( "dye") SubClassOf( ) +# Class: (aluminium-27 atom) + +AnnotationAssertion( "The stable isotope of aluminium with relative atomic mass 26.98153 and nuclear spin (5)/2.") +AnnotationAssertion( "0") +AnnotationAssertion( "[27Al]") +AnnotationAssertion( "InChI=1S/Al/i1+0") +AnnotationAssertion( "XAGFODPZIPBFFR-IGMARMGPSA-N") +AnnotationAssertion( "26.982") +AnnotationAssertion( "26.98154") +AnnotationAssertion( "[27Al]") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "aluminium-27") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "IUPAC") "(27)13Al") +AnnotationAssertion(Annotation( "IUPAC") "(27)Al") +AnnotationAssertion(Annotation( "ChEBI") "aluminium-27") +AnnotationAssertion(Annotation( "ChEBI") "aluminum, isotope of mass 27") +AnnotationAssertion(Annotation( "ChEBI") "aluminum-27") +AnnotationAssertion( "CHEBI:37968") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "aluminium-27 atom") +SubClassOf( ) + +# Class: (phosphorus-31 atom) + +AnnotationAssertion( "The stable isotope of phosphorus with relative atomic mass 30.973762 and nuclear spin (1)/2.") +AnnotationAssertion( "0") +AnnotationAssertion( "[31P]") +AnnotationAssertion( "InChI=1S/P/i1+0") +AnnotationAssertion( "OAICVXFJPJFONN-IGMARMGPSA-N") +AnnotationAssertion( "30.974") +AnnotationAssertion( "30.97376") +AnnotationAssertion( "[31P]") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "phosphorus-31") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "IUPAC") "(31)15P") +AnnotationAssertion(Annotation( "IUPAC") "(31)P") +AnnotationAssertion(Annotation( "ChEBI") "phosphorus-31") +AnnotationAssertion( "CHEBI:37971") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "phosphorus-31 atom") +SubClassOf( ) + +# Class: (silicon-29 atom) + +AnnotationAssertion( "The stable isotope of silicon with relative atomic mass 28.9764947, 4.683 atom percent natural abundancy, and nuclear spin (1)/2.") +AnnotationAssertion( "0") +AnnotationAssertion( "[29Si]") +AnnotationAssertion( "InChI=1S/Si/i1+1") +AnnotationAssertion( "XUIMIQQOPSSXEZ-OUBTZVSYSA-N") +AnnotationAssertion( "28.976") +AnnotationAssertion( "28.97649") +AnnotationAssertion( "[29Si]") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "silicon-29") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "IUPAC") "(29)14Si") +AnnotationAssertion(Annotation( "IUPAC") "(29)Si") +AnnotationAssertion(Annotation( "ChEBI") "silicon-29") +AnnotationAssertion( "CHEBI:37974") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "silicon-29 atom") +SubClassOf( ) + +# Class: (sulfur-33 atom) + +AnnotationAssertion( "The stable isotope of sulfur with relative atomic mass 32.9714585, 0.75 atom percent natural abundance, and nuclear spin (3)/2.") +AnnotationAssertion( "0") +AnnotationAssertion( "[33S]") +AnnotationAssertion( "InChI=1S/S/i1+1") +AnnotationAssertion( "NINIDFKCEFEMDL-OUBTZVSYSA-N") +AnnotationAssertion( "32.971") +AnnotationAssertion( "32.97146") +AnnotationAssertion( "[33S]") +AnnotationAssertion(Annotation( "ChemIDplus") "CAS:14257-58-0") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "sulfur-33") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "IUPAC") "(33)16S") +AnnotationAssertion(Annotation( "IUPAC") "(33)S") +AnnotationAssertion(Annotation( "ChemIDplus") "sulfur, isotope of mass 33") +AnnotationAssertion(Annotation( "ChEBI") "sulfur-33") +AnnotationAssertion(Annotation( "ChEBI") "sulphur-33") +AnnotationAssertion( "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.") @@ -9074,6 +10336,19 @@ AnnotationAssertion(Annotation( "ChemIDplus") "CAS:392-56-3") AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:392-56-3") AnnotationAssertion(Annotation( "Gmelin") "Gmelin:101976") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:23869742") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:24050348") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:25416887") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:26910443") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:27043131") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:27133442") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:27557055") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:33582441") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:33938749") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:37272941") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:38193267") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:38221873") +AnnotationAssertion( "Wikipedia:Hexafluorobenzene") AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "hexafluorobenzene") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "1,2,3,4,5,6-hexafluorobenzene") @@ -9084,6 +10359,7 @@ AnnotationAssertion( "hexafluorobenzene") SubClassOf( ) SubClassOf( ) +SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) # Class: (organic sodium salt) @@ -9413,6 +10689,7 @@ AnnotationAssertion(rdfs:label "did SubClassOf( ) SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) +SubClassOf( ObjectSomeValuesFrom( )) # Class: (ethane) @@ -10240,6 +11517,31 @@ 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") @@ -10269,6 +11571,27 @@ AnnotationAssertion(rdfs:label "xen 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.") @@ -10438,6 +11761,19 @@ AnnotationAssertion( "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.") @@ -10488,18 +11824,6 @@ AnnotationAssertion( "secondary amino compound") SubClassOf( ) -# Class: (titanium coordination entity) - -AnnotationAssertion(Annotation( "ChEBI") "titanium coordination entity") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") "titanium coordination compounds") -AnnotationAssertion(Annotation( "ChEBI") "titanium coordination entities") -AnnotationAssertion( "CHEBI:51004") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "titanium coordination entity") -SubClassOf( ) -SubClassOf( ) - # Class: (nitrate salt) AnnotationAssertion( "chebi_ontology") @@ -10612,6 +11936,16 @@ AnnotationAssertion(rdfs:label "mono 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).") @@ -10734,6 +12068,336 @@ AnnotationAssertion( "pharmaceutical") SubClassOf( ) +# Class: (tin-119 atom) + +AnnotationAssertion( "The stable isotope of tin with relative atomic mass 118.903311, 8.59 atom percent natural abundance and nuclear spin (1)/2.") +AnnotationAssertion( "0") +AnnotationAssertion( "[119Sn]") +AnnotationAssertion( "InChI=1S/Sn/i1+0") +AnnotationAssertion( "ATJFFYVFTNAWJD-IGMARMGPSA-N") +AnnotationAssertion( "118.903") +AnnotationAssertion( "118.90331") +AnnotationAssertion( "[119Sn]") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "tin-119") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "IUPAC") "(119)50Sn") +AnnotationAssertion(Annotation( "IUPAC") "(119)Sn") +AnnotationAssertion(Annotation( "ChEBI") "tin-119") +AnnotationAssertion( "CHEBI:52230") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "tin-119 atom") +SubClassOf( ) + +# Class: (tin-117 atom) + +AnnotationAssertion( "The stable isotope of tin with relative atomic mass 116.902956, 7.68 atom percent natural abundance and nuclear spin (1)/2.") +AnnotationAssertion( "0") +AnnotationAssertion( "[117Sn]") +AnnotationAssertion( "InChI=1S/Sn/i1-2") +AnnotationAssertion( "ATJFFYVFTNAWJD-YPZZEJLDSA-N") +AnnotationAssertion( "116.903") +AnnotationAssertion( "116.90295") +AnnotationAssertion( "[117Sn]") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "tin-117") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "IUPAC") "(117)50Sn") +AnnotationAssertion(Annotation( "IUPAC") "(117)Sn") +AnnotationAssertion(Annotation( "ChEBI") "tin-117") +AnnotationAssertion( "CHEBI:52234") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "tin-117 atom") +SubClassOf( ) + +# Class: (tin-115 atom) + +AnnotationAssertion( "The stable isotope of tin with relative atomic mass 114.903348, 0.34 atom percent natural abundance and nuclear spin (1)/2.") +AnnotationAssertion( "0") +AnnotationAssertion( "[115Sn]") +AnnotationAssertion( "InChI=1S/Sn/i1-4") +AnnotationAssertion( "ATJFFYVFTNAWJD-AHCXROLUSA-N") +AnnotationAssertion( "114.903") +AnnotationAssertion( "114.90334") +AnnotationAssertion( "[115Sn]") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "tin-115") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "IUPAC") "(115)50Sn") +AnnotationAssertion(Annotation( "IUPAC") "(115)Sn") +AnnotationAssertion(Annotation( "ChEBI") "tin-115") +AnnotationAssertion( "CHEBI:52235") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "tin-115 atom") +SubClassOf( ) + +# Class: (tellurium-125 atom) + +AnnotationAssertion( "The stable isotope of tellurium with relative atomic mass 124.904425, 71.4 atom percent natural abundance and nuclear spin 1/2.") +AnnotationAssertion( "0") +AnnotationAssertion( "[125Te]") +AnnotationAssertion( "InChI=1S/Te/i1-3") +AnnotationAssertion( "PORWMNRCUJJQNO-OIOBTWANSA-N") +AnnotationAssertion( "124.904") +AnnotationAssertion( "124.90443") +AnnotationAssertion( "[125Te]") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "tellurium-125") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "IUPAC") "(125)52Te") +AnnotationAssertion(Annotation( "IUPAC") "(125)Te") +AnnotationAssertion(Annotation( "ChEBI") "tellurium-125") +AnnotationAssertion( "CHEBI:52452") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "tellurium-125 atom") +SubClassOf( ) + +# Class: (xenon-129 atom) + +AnnotationAssertion( "The stable isotope of xenon with relative atomic mass 128.904780, 26.4 atom percent natural abundance and nuclear spin 1/2.") +AnnotationAssertion( "0") +AnnotationAssertion( "[129Xe]") +AnnotationAssertion( "InChI=1S/Xe/i1-2") +AnnotationAssertion( "FHNFHKCVQCLJFQ-YPZZEJLDSA-N") +AnnotationAssertion( "128.905") +AnnotationAssertion( "128.90478") +AnnotationAssertion( "[129Xe]") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "xenon-129") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "IUPAC") "(129)54Xe") +AnnotationAssertion(Annotation( "IUPAC") "(129)Xe") +AnnotationAssertion(Annotation( "ChEBI") "xenon-129") +AnnotationAssertion( "CHEBI:52453") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "xenon-129 atom") +SubClassOf( ) +SubClassOf( ) + +# Class: (selenium-77 atom) + +AnnotationAssertion( "A stable isotope of selenium with relative atomic mass 76.919915, 7.60 atom percent natural abundance and nuclear spin 1/2.") +AnnotationAssertion( "0") +AnnotationAssertion( "[77Se]") +AnnotationAssertion( "InChI=1S/Se/i1-2") +AnnotationAssertion( "BUGBHKTXTAQXES-YPZZEJLDSA-N") +AnnotationAssertion( "76.920") +AnnotationAssertion( "76.91991") +AnnotationAssertion( "[77Se]") +AnnotationAssertion( "Chemspider:9507361") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:16158304") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:23159557") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:25848959") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:25923042") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:27129100") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:30828921") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:32453871") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:34153173") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "((77)Se)selenium") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "IUPAC") "(77)34Se") +AnnotationAssertion(Annotation( "IUPAC") "(77)Se") +AnnotationAssertion(Annotation( "ChEBI") "Se-77") +AnnotationAssertion(Annotation( "ChEBI") "selenium, isotope of mass 77") +AnnotationAssertion(Annotation( "ChEBI") "selenium-(77)Se") +AnnotationAssertion(Annotation( "ChEBI") "selenium-77") +AnnotationAssertion( "CHEBI:52457") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "selenium-77 atom") +SubClassOf( ) + +# Class: (lithium-7 atom) + +AnnotationAssertion( "The stable isotope of lithium with relative atomic mass 7.016004, 92.5 atom percent natural abundance and nuclear spin 3/2.") +AnnotationAssertion( "0") +AnnotationAssertion( "[7Li]") +AnnotationAssertion( "InChI=1S/Li/i1+0") +AnnotationAssertion( "WHXSMMKQMYFTQS-IGMARMGPSA-N") +AnnotationAssertion( "7.016") +AnnotationAssertion( "7.01600") +AnnotationAssertion( "[7Li]") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "lithium-7") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "IUPAC") "(7)3Li") +AnnotationAssertion(Annotation( "IUPAC") "(7)Li") +AnnotationAssertion(Annotation( "ChEBI") "lithium-7") +AnnotationAssertion( "CHEBI:52458") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "lithium-7 atom") +SubClassOf( ) + +# Class: (rubidium-87 atom) + +AnnotationAssertion( "The stable isotope of rubidium with relative atomic mass 86.909184, 27.9 atom percent natural abundance and nuclear spin 3/2.") +AnnotationAssertion( "0") +AnnotationAssertion( "[87Rb]") +AnnotationAssertion( "InChI=1S/Rb/i1+2") +AnnotationAssertion( "IGLNJRXAVVLDKE-NJFSPNSNSA-N") +AnnotationAssertion( "86.909") +AnnotationAssertion( "86.90918") +AnnotationAssertion( "[87Rb]") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "rubidium-87") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "IUPAC") "(87)37Rb") +AnnotationAssertion(Annotation( "IUPAC") "(87)Rb") +AnnotationAssertion(Annotation( "ChEBI") "rubidium-87") +AnnotationAssertion( "CHEBI:52459") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "rubidium-87 atom") +SubClassOf( ) + +# Class: (niobium-93 atom) + +AnnotationAssertion( "The stable isotope of niobium with relative atomic mass 92.906378, 100 atom percent natural abundance and nuclear spin 9/2.") +AnnotationAssertion( "0") +AnnotationAssertion( "[93Nb]") +AnnotationAssertion( "InChI=1S/Nb/i1+0") +AnnotationAssertion( "GUCVJGMIXFAOAE-IGMARMGPSA-N") +AnnotationAssertion( "92.906") +AnnotationAssertion( "92.90637") +AnnotationAssertion( "[93Nb]") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "niobium-93") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "IUPAC") "(93)41Nb") +AnnotationAssertion(Annotation( "IUPAC") "(93)Nb") +AnnotationAssertion(Annotation( "ChEBI") "niobium-93") +AnnotationAssertion( "CHEBI:52460") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "niobium-93 atom") +SubClassOf( ) + +# Class: (tungsten-183) + +AnnotationAssertion( "The stable isotope of niobium with relative atomic mass 182.950225, 14.3 atom percent natural abundance and nuclear spin 1/2.") +AnnotationAssertion( "0") +AnnotationAssertion( "[183W]") +AnnotationAssertion( "InChI=1S/W/i1-1") +AnnotationAssertion( "WFKWXMTUELFFGS-BJUDXGSMSA-N") +AnnotationAssertion( "182.950") +AnnotationAssertion( "182.95022") +AnnotationAssertion( "[183W]") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "tungsten-183") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "IUPAC") "(183)74W") +AnnotationAssertion(Annotation( "IUPAC") "(183)W") +AnnotationAssertion( "CHEBI:52462") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "tungsten-183") +SubClassOf( ) + +# Class: (cadmium-111) + +AnnotationAssertion( "The stable isotope of cadmium with relative atomic mass 110.904182, 12.8 atom percent natural abundance and nuclear spin 1/2.") +AnnotationAssertion( "0") +AnnotationAssertion( "[111Cd]") +AnnotationAssertion( "InChI=1S/Cd/i1-1") +AnnotationAssertion( "BDOSMKKIYDKNTQ-BJUDXGSMSA-N") +AnnotationAssertion( "110.904") +AnnotationAssertion( "110.90418") +AnnotationAssertion( "[111Cd]") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "cadmium-111") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "IUPAC") "(111)48Cd") +AnnotationAssertion(Annotation( "IUPAC") "(111)Cd") +AnnotationAssertion( "CHEBI:52619") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "cadmium-111") +SubClassOf( ) + +# Class: (cadmium-113) + +AnnotationAssertion( "The isotope of cadmium with relative atomic mass 112.904401, 12.2 atom percent natural abundance and nuclear spin 1/2.") +AnnotationAssertion( "0") +AnnotationAssertion( "[113Cd]") +AnnotationAssertion( "InChI=1S/Cd/i1+1") +AnnotationAssertion( "BDOSMKKIYDKNTQ-OUBTZVSYSA-N") +AnnotationAssertion( "112.904") +AnnotationAssertion( "112.90441") +AnnotationAssertion( "[113Cd]") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "cadmium-113") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "IUPAC") "(113)48Cd") +AnnotationAssertion(Annotation( "IUPAC") "(113)Cd") +AnnotationAssertion( "CHEBI:52620") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "cadmium-113") +SubClassOf( ) + +# Class: (lithium-6 atom) + +AnnotationAssertion( "The stable isotope of lithium with relative atomic mass 6.015122, 7.5 atom percent natural abundance and nuclear spin 1.") +AnnotationAssertion( "0") +AnnotationAssertion( "[6Li]") +AnnotationAssertion( "InChI=1S/Li/i1-1") +AnnotationAssertion( "WHXSMMKQMYFTQS-BJUDXGSMSA-N") +AnnotationAssertion( "6.015") +AnnotationAssertion( "6.01512") +AnnotationAssertion( "[6Li]") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "lithium-6") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "IUPAC") "(6)3Li") +AnnotationAssertion(Annotation( "IUPAC") "(6)Li") +AnnotationAssertion(Annotation( "ChEBI") "lithium-6") +AnnotationAssertion( "CHEBI:52621") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "lithium-6 atom") +SubClassOf( ) + +# Class: (yttrium-89 atom) + +AnnotationAssertion( "The stable isotope of yttrium with relative atomic mass 88.905848, 100 atom percent natural abundance and nuclear spin 1/2.") +AnnotationAssertion( "0") +AnnotationAssertion( "[89Y]") +AnnotationAssertion( "InChI=1S/Y/i1+0") +AnnotationAssertion( "VWQVUPCCIRVNHF-IGMARMGPSA-N") +AnnotationAssertion( "88.906") +AnnotationAssertion( "88.90584") +AnnotationAssertion( "[89Y]") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "yttrium-89") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "IUPAC") "(89)39Y") +AnnotationAssertion(Annotation( "IUPAC") "(89)Y") +AnnotationAssertion(Annotation( "ChEBI") "yttrium-89") +AnnotationAssertion( "CHEBI:52622") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "yttrium-89 atom") +SubClassOf( ) + +# Class: (iron-57 atom) + +AnnotationAssertion( "The stable isotope of iron with relative atomic mass 56.935399, 2.1 atom percent natural abundance and nuclear spin 1/2.") +AnnotationAssertion( "0") +AnnotationAssertion( "[57Fe]") +AnnotationAssertion( "InChI=1S/Fe/i1+1") +AnnotationAssertion( "XEEYBQQBJWHFJM-OUBTZVSYSA-N") +AnnotationAssertion( "56.935") +AnnotationAssertion( "56.93539") +AnnotationAssertion( "[57Fe]") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "iron-57") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "IUPAC") "(57)26Fe") +AnnotationAssertion(Annotation( "IUPAC") "(57)Fe") +AnnotationAssertion( "CHEBI:52623") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "iron-57 atom") +SubClassOf( ) + +# Class: (antimony-121 atom) + +AnnotationAssertion( "The stable isotope of antimony with relative atomic mass 120.903818, 57.2 atom percent natural abundance and nuclear spin 5/2.") +AnnotationAssertion( "0") +AnnotationAssertion( "[121Sb]") +AnnotationAssertion( "InChI=1S/Sb/i1-1") +AnnotationAssertion( "WATWJIUSRGPENY-BJUDXGSMSA-N") +AnnotationAssertion( "120.904") +AnnotationAssertion( "120.90381") +AnnotationAssertion( "[121Sb]") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "antimony-121") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "IUPAC") "(121)51Sb") +AnnotationAssertion(Annotation( "IUPAC") "(121)Sb") +AnnotationAssertion(Annotation( "ChEBI") "antimony-121") +AnnotationAssertion( "CHEBI:52624") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "antimony-121 atom") +SubClassOf( ) +SubClassOf( ) + # Class: (inorganic hydroxy compound) AnnotationAssertion( "chebi_ontology") @@ -10744,6 +12408,203 @@ AnnotationAssertion(rdfs:label "ino SubClassOf( ) SubClassOf( ) +# Class: (antimony-123 atom) + +AnnotationAssertion( "The stable isotope of antimony with relative atomic mass 122.904216, 42.8 atom percent natural abundance and nuclear spin 7/2.") +AnnotationAssertion( "0") +AnnotationAssertion( "[123Sb]") +AnnotationAssertion( "InChI=1S/Sb/i1+1") +AnnotationAssertion( "WATWJIUSRGPENY-OUBTZVSYSA-N") +AnnotationAssertion( "122.904") +AnnotationAssertion( "122.90421") +AnnotationAssertion( "[123Sb]") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "antimony-123") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "IUPAC") "(123)51Sb") +AnnotationAssertion(Annotation( "IUPAC") "(123)Sb") +AnnotationAssertion(Annotation( "ChEBI") "antimony-123") +AnnotationAssertion( "CHEBI:52626") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "antimony-123 atom") +SubClassOf( ) +SubClassOf( ) + +# Class: (lanthanum-139 atom) + +AnnotationAssertion( "The stable isotope of lanthanum with relative atomic mass 138.906348, 99.9 atom percent natural abundance and nuclear spin 7/2.") +AnnotationAssertion( "0") +AnnotationAssertion( "[139La]") +AnnotationAssertion( "InChI=1S/La/i1+0") +AnnotationAssertion( "FZLIPJUXYLNCLC-IGMARMGPSA-N") +AnnotationAssertion( "138.906") +AnnotationAssertion( "138.90636") +AnnotationAssertion( "[139La]") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "lanthanum-139") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "IUPAC") "(139)57La") +AnnotationAssertion(Annotation( "IUPAC") "(139)La") +AnnotationAssertion(Annotation( "ChEBI") "lanthanum-139") +AnnotationAssertion( "CHEBI:52627") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "lanthanum-139 atom") +SubClassOf( ) + +# Class: (iodine-127 atom) + +AnnotationAssertion( "The stable isotope of iodine with relative atomic mass 126.904468, 100 atom percent natural abundance and nuclear spin 5/2.") +AnnotationAssertion( "0") +AnnotationAssertion( "[127I]") +AnnotationAssertion( "InChI=1S/I/i1+0") +AnnotationAssertion( "ZCYVEMRRCGMTRW-IGMARMGPSA-N") +AnnotationAssertion( "126.904") +AnnotationAssertion( "126.90447") +AnnotationAssertion( "[127I]") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "iodine-127") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "IUPAC") "(127)53I") +AnnotationAssertion(Annotation( "IUPAC") "(127)I") +AnnotationAssertion(Annotation( "ChEBI") "iodine-127") +AnnotationAssertion( "CHEBI:52631") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "iodine-127 atom") +SubClassOf( ) + +# Class: (potassium-39 atom) + +AnnotationAssertion( "The stable isotope of potassium with relative atomic mass 38.963707, 93.3 atom percent natural abundance and nuclear spin 3/2.") +AnnotationAssertion( "0") +AnnotationAssertion( "[39K]") +AnnotationAssertion( "InChI=1S/K/i1+0") +AnnotationAssertion( "ZLMJMSJWJFRBEC-IGMARMGPSA-N") +AnnotationAssertion( "38.964") +AnnotationAssertion( "38.96371") +AnnotationAssertion( "[39K]") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "potassium-39") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "IUPAC") "(39)19K") +AnnotationAssertion(Annotation( "IUPAC") "(39)K") +AnnotationAssertion(Annotation( "ChEBI") "potassium-39") +AnnotationAssertion( "CHEBI:52632") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "potassium-39 atom") +SubClassOf( ) + +# Class: (molybdenum-95) + +AnnotationAssertion( "The stable isotope of molybdenum with relative atomic mass 94.905842, 15.9 atom percent natural abundance and nuclear spin 5/2.") +AnnotationAssertion( "0") +AnnotationAssertion( "[95Mo]") +AnnotationAssertion( "InChI=1S/Mo/i1-1") +AnnotationAssertion( "ZOKXTWBITQBERF-BJUDXGSMSA-N") +AnnotationAssertion( "94.906") +AnnotationAssertion( "94.90584") +AnnotationAssertion( "[95Mo]") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "molybdenum-95") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "IUPAC") "(95)42Mo") +AnnotationAssertion(Annotation( "IUPAC") "(95)Mo") +AnnotationAssertion( "CHEBI:52633") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "molybdenum-95") +SubClassOf( ) + +# Class: (sodium-23 atom) + +AnnotationAssertion( "The stable isotope of sodium with relative atomic mass 22.989770, 100 atom percent natural abundance and nuclear spin 3/2.") +AnnotationAssertion( "0") +AnnotationAssertion( "[23Na]") +AnnotationAssertion( "InChI=1S/Na/i1+0") +AnnotationAssertion( "KEAYESYHFKHZAL-IGMARMGPSA-N") +AnnotationAssertion( "22.990") +AnnotationAssertion( "22.98977") +AnnotationAssertion( "[23Na]") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "sodium-23") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "IUPAC") "(23)11Na") +AnnotationAssertion(Annotation( "IUPAC") "(23)Na") +AnnotationAssertion(Annotation( "ChEBI") "sodium-23") +AnnotationAssertion( "CHEBI:52634") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "sodium-23 atom") +SubClassOf( ) + +# Class: (scandium-45 atom) + +AnnotationAssertion( "The stable isotope of scandium with relative atomic mass 44.955910, 100 atom percent natural abundance and nuclear spin 7/2.") +AnnotationAssertion( "0") +AnnotationAssertion( "[45Sc]") +AnnotationAssertion( "InChI=1S/Sc/i1+0") +AnnotationAssertion( "SIXSYDAISGFNSX-IGMARMGPSA-N") +AnnotationAssertion( "44.956") +AnnotationAssertion( "44.95591") +AnnotationAssertion( "[45Sc]") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "scandium-45") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "IUPAC") "(45)21Sc") +AnnotationAssertion(Annotation( "IUPAC") "(45)Sc") +AnnotationAssertion(Annotation( "ChEBI") "scandium-45") +AnnotationAssertion( "CHEBI:52635") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "scandium-45 atom") +SubClassOf( ) + +# Class: (bromine-79 atom) + +AnnotationAssertion( "The stable isotope of bromine with relative atomic mass 78.918338, 50.69 atom percent natural abundance and nuclear spin 3/2.") +AnnotationAssertion( "0") +AnnotationAssertion( "[79Br]") +AnnotationAssertion( "InChI=1S/Br/i1-1") +AnnotationAssertion( "WKBOTKDWSSQWDR-BJUDXGSMSA-N") +AnnotationAssertion( "78.918") +AnnotationAssertion( "78.91834") +AnnotationAssertion( "[79Br]") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "IUPAC") "(79)35Br") +AnnotationAssertion(Annotation( "IUPAC") "(79)Br") +AnnotationAssertion(Annotation( "ChEBI") "bromine-79") +AnnotationAssertion( "CHEBI:52743") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "bromine-79 atom") +SubClassOf( ) + +# Class: (germanium-73 atom) + +AnnotationAssertion( "The stable isotope of germanium with relative atomic mass 72.923459, 7.73 atom percent natural abundance and nuclear spin 9/2.") +AnnotationAssertion( "0") +AnnotationAssertion( "[73Ge]") +AnnotationAssertion( "InChI=1S/Ge/i1+0") +AnnotationAssertion( "GNPVGFCGXDBREM-IGMARMGPSA-N") +AnnotationAssertion( "72.923") +AnnotationAssertion( "72.92346") +AnnotationAssertion( "[73Ge]") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "IUPAC") "(73)32Ge") +AnnotationAssertion(Annotation( "IUPAC") "(73)Ge") +AnnotationAssertion(Annotation( "ChEBI") "germanium-73") +AnnotationAssertion( "CHEBI:52758") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "germanium-73 atom") +SubClassOf( ) + +# Class: (magnesium-25 atom) + +AnnotationAssertion( "The stable isotope of magnesium with relative atomic mass 24.985837, 10.0 atom percent natural abundance and nuclear spin 5/2.") +AnnotationAssertion( "0") +AnnotationAssertion( "[25Mg]") +AnnotationAssertion( "InChI=1S/Mg/i1+1") +AnnotationAssertion( "FYYHWMGAXLPEAU-OUBTZVSYSA-N") +AnnotationAssertion( "24.986") +AnnotationAssertion( "24.98584") +AnnotationAssertion( "[25Mg]") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "IUPAC") "(25)12Mg") +AnnotationAssertion(Annotation( "IUPAC") "(25)Mg") +AnnotationAssertion(Annotation( "ChEBI") "magnesium-25") +AnnotationAssertion( "CHEBI:52763") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "magnesium-25 atom") +SubClassOf( ) + # Class: (tetramethylammonium bromide) AnnotationAssertion( "The bromide salt of tetramethylammonium.") @@ -11072,6 +12933,48 @@ AnnotationAssertion( "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.") @@ -11804,6 +13707,7 @@ AnnotationAssertion( ) AnnotationAssertion(rdfs:label "aliphatic nitrile") SubClassOf( ) +SubClassOf( ) # Class: (crustacean metabolite) @@ -12072,6 +13976,19 @@ 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( )) + # Class: (osmium tetroxide) AnnotationAssertion( "An osmium coordination entity consisting of four oxygen atoms bound to a central osmium atom via covalent double bonds.") diff --git a/src/ontology/imports/chebi_terms.txt b/src/ontology/imports/chebi_terms.txt index 6b128c9..11f89fd 100644 --- a/src/ontology/imports/chebi_terms.txt +++ b/src/ontology/imports/chebi_terms.txt @@ -73,4 +73,88 @@ CHEBI:46324 # trimethyl phosphate CHEBI:36601 # triphenylphosphane oxide CHEBI:183318 # triphenylphosphine CHEBI:229456 # xenon oxytetrafluoride -CHEBI:229454 # yttrium nitrate \ No newline at end of file +CHEBI:229454 # yttrium nitrate + +# isotopes +CHEBI:29236 # protium atom +CHEBI:29237 # deuterium atom +CHEBI:29238 # tritium atom +CHEBI:30218 # helium-3 atom +CHEBI:52621 # lithium-6 atom +CHEBI:52458 # lithium-7 atom +# TODO: add beryllium atom isotopes +CHEBI:36928 # carbon-13 atom +CHEBI:36938 # nitrogen-14 atom +CHEBI:36934 # nitrogen-15 atom +CHEBI:33819 # oxygen-17 atom +CHEBI:36940 # fluorine-19 atom +# TODO: add # neon atom isotopes +CHEBI:52634 # sodium-23 atom +CHEBI:52763 # magnesium-25 atom +CHEBI:37968 # aluminium-27 atom +CHEBI:37974 # silicon-29 atom +CHEBI:37971 # phosphorus-31 atom +CHEBI:37980 # sulfur-33 atom +# TODO: add # chlorine atom isotopes +CHEBI:52632 # potassium-39 atom +# TODO: add # potassium atom isotopes +CHEBI:176566 # calcium-43 atom +CHEBI:52635 # scandium-45 atom +# TODO: add titanium atom isotopes +# TODO: add vanadium atom isotopes +# TODO: add chromium atom isotopes +CHEBI:176583 # manganese-55 atom +CHEBI:52623 # iron-57 atom +CHEBI:176578 # cobalt-59 atom +# TODO: add nickel atom isotopes +# TODO: add copper atom isotopes +# TODO: add zinc atom isotopes +# TODO: add gallium atom isotopes +CHEBI:52758 # germanium-73 atom +CHEBI:176584 # arsenic-75 atom +CHEBI:52457 # CHEBI:52457 +CHEBI:52743 # bromine-79 atom +# TODO: add bromine atom isotopes +# TODO: add krypton atom isotopes +CHEBI:176572 # rubidium-85 atom +CHEBI:52459 # rubidium-87 atom +# TODO: add strontium atom isotopes +CHEBI:52622 # yttrium-89 atom +# TODO: add zirconium atom isotopes +CHEBI:52460 # niobium-93 atom +CHEBI:52633 # molybdenum-95 +# TODO: add molybdenum atom isotopes +CHEBI:33371 # technetium-99 +# TODO: add ruthenium atom isotopes +# TODO: add rhenium atom isotopes +# TODO: add palladium atom isotopes +# TODO: add silver atom isotopes +CHEBI:52619 # cadmium-111 +CHEBI:52620 # cadmium-113 +# TODO: add indium atom isotopes +CHEBI:52235 # tin-115 atom +CHEBI:52234 # tin-117 atom +CHEBI:52230 # tin-119 atom +CHEBI:52624 # antimony-121 atom +CHEBI:52626 # antimony-123 atom +# TODO: add tellurium atom isotopes +CHEBI:52452 # tellurium-125 atom +CHEBI:52631 # iodine-127 atom +CHEBI:52453 # xenon-129 atom +# TODO: add xenon atom isotopes +# TODO: add caesium atom isotopes +# TODO: add barium atom isotopes +# TODO: add lanthanum atom isotopes +CHEBI:52627 # lanthanum-139 atom +# TODO: add lanthanum atom isotopes +# TODO: add hafnium atom isotopes +CHEBI:52462 # tungsten-183 +# TODO: add rhenium atom isotopes +# TODO: add osmium atom isotopes +# TODO: add iridium atom isotopes +# TODO: add platinum atom isotopes +# TODO: add gold atom isotopes +# TODO: add mercury atom isotopes +# TODO: add titanium atom isotopes +# TODO: add lead atom isotopes +# TODO: add bismuth atom isotopes \ No newline at end of file