CHEBI:229689 - (E)-thiourocanate thione form

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ChEBI Name (E)-thiourocanate thione form
ChEBI ID CHEBI:229689
ChEBI ASCII Name (E)-thiourocanate thione form
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 C6H5N2O2S
Net Charge -1
Average Mass 169.180
Monoisotopic Mass 169.00772
InChI InChI=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+
InChIKey ZBKFFCZXHBPGFK-OWOJBTEDSA-M
SMILES C1=C(NC(=S)N1)/C=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 (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)
Synonyms Sources
(2E)-3-(2-sulfanylidene-2,3-dihydro-1H-imidazol-4-yl)prop-2-enoate SUBMITTER
(E)-thiourocanate thione UniProt
Citation Waiting for Citations Type Source
23053092 PubMed citation SUBMITTER