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CHEBI:229683 - S-methyl-trans-thiourocanate(1−)

ChEBI IDCHEBI:229683
ChEBI NameS-methyl-trans-thiourocanate(1−)
Stars
ASCII NameS-methyl-trans-thiourocanate(1-)
DefinitionMajor microspecies at pH 7.3.
SubmitterAnne Morgat
DownloadsMolfile
FormulaC7H7N2O2S
Net Charge-1
Average Mass183.212
Monoisotopic Mass183.02337
SMILESCSc1ncc(/C=C/C(=O)[O-])n1
InChIInChI=1S/C7H8N2O2S/c1-12-7-8-4-5(9-7)2-3-6(10)11/h2-4H,1H3,(H,8,9)(H,10,11)/p-1/b3-2+
InChIKeyONIAGRIJGZWVQU-NSCUHMNNSA-M
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
S-methyl-trans-thiourocanate(1−) (CHEBI:229683) is a organic sulfide (CHEBI:16385)
S-methyl-trans-thiourocanate(1−) (CHEBI:229683) is a urocanate (CHEBI:27247)
UniProt Name  Source
S-methyl-(E)-thiourocanateUniProt
Citations