3-mercaptopyruvic acid (CHEBI:16208)

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ChEBI Name	3-mercaptopyruvic acid

ChEBI ID	CHEBI:16208

Definition	A 2-oxo monocarboxylic acid that is pyruvic acid substituted by a sulfanyl group at position 3.

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:6767, CHEBI:14583, CHEBI:20104, CHEBI:11847, CHEBI:20103

Supplier Information	ZINC000096006026

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Formula

C3H4O3S

Net Charge

Average Mass

120.12806

Monoisotopic Mass

119.98812

InChI

InChI=1S/C3H4O3S/c4-2(1-7)3(5)6/h7H,1H2,(H,5,6)

InChIKey

OJOLFAIGOXZBCI-UHFFFAOYSA-N

SMILES

OC(=O)C(=O)CS

Metabolite of Species	Details
Mus musculus (NCBI:txid10090)	Source: BioModels - MODEL1507180067 See: PubMed
Escherichia coli (NCBI:txid562)	See: PubMed

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

Biological Role(s):	Escherichia coli metabolite Any bacterial metabolite produced during a metabolic reaction in Escherichia coli. mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).

Application(s):	antidote to cyanide poisoning A role borne by a molecule that acts to counteract or neutralize the deleterious effects of cyanide.

ChEBI Ontology
Outgoing	3-mercaptopyruvic acid (CHEBI:16208) has functional parent pyruvic acid (CHEBI:32816) 3-mercaptopyruvic acid (CHEBI:16208) has role Escherichia coli metabolite (CHEBI:76971) 3-mercaptopyruvic acid (CHEBI:16208) has role antidote to cyanide poisoning (CHEBI:90749) 3-mercaptopyruvic acid (CHEBI:16208) has role human metabolite (CHEBI:77746) 3-mercaptopyruvic acid (CHEBI:16208) has role mouse metabolite (CHEBI:75771) 3-mercaptopyruvic acid (CHEBI:16208) is a 2-oxo monocarboxylic acid (CHEBI:35910) 3-mercaptopyruvic acid (CHEBI:16208) is a thiol (CHEBI:29256) 3-mercaptopyruvic acid (CHEBI:16208) is conjugate acid of 3-mercaptopyruvate (CHEBI:57678)

Incoming	3-mercaptopyruvate (CHEBI:57678) is conjugate base of 3-mercaptopyruvic acid (CHEBI:16208)

IUPAC Name

2-oxo-3-sulfanylpropanoic acid

Citation

Last Modified

10 September 2017