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CHEBI:16894 - 3-sulfopyruvic acid

ChEBI IDCHEBI:16894
ChEBI Name3-sulfopyruvic acid
Stars
DefinitionA carboxyalkanesulfonic acid comprising pyruvic acid with a sulfo group attached at the C-3 position.
Secondary ChEBI IDsCHEBI:1669, CHEBI:11891, CHEBI:45736
Last Modified27 January 2016
DownloadsMolfile
FormulaC3H4O6S
Net Charge0
Average Mass168.126
Monoisotopic Mass167.97286
SMILESO=C(O)C(=O)CS(=O)(=O)O
InChIInChI=1S/C3H4O6S/c4-2(3(5)6)1-10(7,8)9/h1H2,(H,5,6)(H,7,8,9)
InChIKeyBUTHMSUEBYPMKJ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
3-sulfopyruvic acid (CHEBI:16894) has functional parent pyruvic acid (CHEBI:32816)
3-sulfopyruvic acid (CHEBI:16894) has role mouse metabolite (CHEBI:75771)
3-sulfopyruvic acid (CHEBI:16894) is a carboxyalkanesulfonic acid (CHEBI:38031)
3-sulfopyruvic acid (CHEBI:16894) is conjugate acid of 3-sulfonatopyruvate(2−) (CHEBI:57940)
Incoming Relation(s)
3-sulfonatopyruvate(2−) (CHEBI:57940) is conjugate base of 3-sulfopyruvic acid (CHEBI:16894)
IUPAC Name 
2-oxo-3-sulfopropanoic acid
Synonyms  Source
3-SulfopyruvateKEGG COMPOUND
3-Sulfopyruvic acidKEGG COMPOUND
SULFOPYRUVATEPDBeChem
2-carboxy-2-oxoethanesulfonic acidChemIDplus
β-sulfopyruvic acidChemIDplus
Manual XrefsDatabases
C05528KEGG COMPOUND
SPVPDBeChem
DB02156DrugBank
C00000764KNApSAcK
Registry NumbersSources
Beilstein:1775450Beilstein
CAS:98022-26-5ChemIDplus