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

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ChEBI Name S-methyl-trans-thiourocanate(1−)
ChEBI ID CHEBI:229683
ChEBI ASCII Name S-methyl-trans-thiourocanate(1-)
Definition Major microspecies at pH 7.3.
Stars This entity has been manually annotated by a third party.
Submitter Anne Morgat
Supplier Information
Download Molfile XML SDF
Formula C7H7N2O2S
Net Charge -1
Average Mass 183.210
Monoisotopic Mass 183.02337
InChI InChI=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+
InChIKey ONIAGRIJGZWVQU-NSCUHMNNSA-M
SMILES C(\C=1N=C(NC1)SC)=C/C(=O)[O-]
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
(via urocanate )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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)
Synonym Source
S-methyl-(E)-thiourocanate UniProt
Citation Waiting for Citations Type Source
38389448 PubMed citation SUBMITTER