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CHEBI:17865 - 4-methyl-2-oxopentanoate

ChEBI IDCHEBI:17865
ChEBI Name4-methyl-2-oxopentanoate
Stars
DefinitionA 2-oxo monocarboxylic acid anion that is the conjugate base of 4-methyl-2-oxopentanoic acid.
Secondary ChEBI IDsCHEBI:12020, CHEBI:20438
Last Modified22 April 2022
DownloadsMolfile
FormulaC6H9O3
Net Charge-1
Average Mass129.135
Monoisotopic Mass129.05572
SMILESCC(C)CC(=O)C(=O)[O-]
InChIInChI=1S/C6H10O3/c1-4(2)3-5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9)/p-1
InChIKeyBKAJNAXTPSGJCU-UHFFFAOYSA-M
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Saccharomyces cerevisiae (ncbitaxon:4932) - PubMed (24678285) Source: yeast.sf.net
Roles Classification
Biological Roles:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
ChEBI Ontology
Outgoing Relation(s)
4-methyl-2-oxopentanoate (CHEBI:17865) has functional parent valerate (CHEBI:31011)
4-methyl-2-oxopentanoate (CHEBI:17865) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
4-methyl-2-oxopentanoate (CHEBI:17865) has role human metabolite (CHEBI:77746)
4-methyl-2-oxopentanoate (CHEBI:17865) is a 2-oxo monocarboxylic acid anion (CHEBI:35179)
4-methyl-2-oxopentanoate (CHEBI:17865) is a branched-chain keto acid anion (CHEBI:191201)
4-methyl-2-oxopentanoate (CHEBI:17865) is conjugate base of 4-methyl-2-oxopentanoic acid (CHEBI:48430)
Incoming Relation(s)
4-methyl-2-oxopentanoic acid (CHEBI:48430) is conjugate acid of 4-methyl-2-oxopentanoate (CHEBI:17865)
IUPAC Name 
4-methyl-2-oxopentanoate
Synonyms  Source
2-OxoisocaproateKEGG COMPOUND
α-ketoisocaproateChEBI
UniProt Name  Source
4-methyl-2-oxopentanoateUniProt
Manual XrefsDatabases
C00233KEGG COMPOUND
Registry NumbersSources
Reaxys:3904096Reaxys