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CHEBI:35146 - (S)-3-methyl-2-oxovalerate

ChEBI IDCHEBI:35146
ChEBI Name(S)-3-methyl-2-oxovalerate
Stars
ASCII Name(S)-3-methyl-2-oxovalerate
DefinitionThe conjugate base of (S)-3-methyl-2-oxopentanoic acid.
Secondary ChEBI IDsCHEBI:10888, CHEBI:11049, CHEBI:18568, CHEBI:18755
Last Modified22 June 2016
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC6H9O3
Net Charge-1
Average Mass129.135
Monoisotopic Mass129.05572
SMILESCC[C@H](C)C(=O)C(=O)[O-]
InChIInChI=1S/C6H10O3/c1-3-4(2)5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9)/p-1/t4-/m0/s1
InChIKeyJVQYSWDUAOAHFM-BYPYZUCNSA-M
Species of MetaboliteComponentSourceComments
Saccharomyces cerevisiae (ncbitaxon:4932) - PubMed (24678285) Source: yeast.sf.net
Roles Classification
Biological Roles:
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
(S)-3-methyl-2-oxovalerate (CHEBI:35146) has functional parent valerate (CHEBI:31011)
(S)-3-methyl-2-oxovalerate (CHEBI:35146) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
(S)-3-methyl-2-oxovalerate (CHEBI:35146) is a 3-methyl-2-oxovalerate (CHEBI:28654)
(S)-3-methyl-2-oxovalerate (CHEBI:35146) is conjugate base of (S)-3-methyl-2-oxovaleric acid (CHEBI:15614)
(S)-3-methyl-2-oxovalerate (CHEBI:35146) is enantiomer of (R)-3-methyl-2-oxovalerate (CHEBI:228255)
Incoming Relation(s)
(S)-3-methyl-2-oxovaleric acid (CHEBI:15614) is conjugate acid of (S)-3-methyl-2-oxovalerate (CHEBI:35146)
(R)-3-methyl-2-oxovalerate (CHEBI:228255) is enantiomer of (S)-3-methyl-2-oxovalerate (CHEBI:35146)
IUPAC Name 
(3S)-3-methyl-2-oxopentanoate
Synonyms  Source
(3S)-3-Methyl-2-oxopentanoateKEGG COMPOUND
(S)-3-methyl-2-oxovalerateChEBI
(S)-3-methyl-2-oxopentanoateChEBI
UniProt Name  Source
(S)-3-methyl-2-oxopentanoateUniProt
Manual XrefsDatabases
C00671KEGG COMPOUND
Registry NumbersSources
Beilstein:3904283Beilstein