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CHEBI:229689 - (E)-thiourocanate thione form

Default Structure
ChEBI IDCHEBI:229689
ChEBI Name(E)-thiourocanate thione form
Stars
ASCII Name(E)-thiourocanate thione form
DefinitionMajor microspecies at pH 7.3
Last Modified24 February 2025
SubmitterAnne Morgat
DownloadsMolfile
FormulaC6H5N2O2S
Net Charge-1
Average Mass169.185
Monoisotopic Mass169.00772
SMILESO=C([O-])/C=C/c1cnc(=S)n1
InChIInChI=1S/C6H6N2O2S/c9-5(10)2-1-4-3-7-6(11)8-4/h1-3H,(H,9,10)(H2,7,8,11)/p-1/b2-1+
InChIKeyZBKFFCZXHBPGFK-OWOJBTEDSA-M
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
(E)-thiourocanate thione form (CHEBI:229689) has functional parent ergothioneine thione form (CHEBI:82707)
(E)-thiourocanate thione form (CHEBI:229689) is a urocanate (CHEBI:27247)
Synonym  Source
(2E)-3-(2-sulfanylidene-2,3-dihydro-1H-imidazol-4-yl)prop-2-enoateSUBMITTER
UniProt Name  Source
(E)-thiourocanate (thione form)UniProt
Citations