CHEBI:17865 - 4-methyl-2-oxopentanoate

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ChEBI Name 4-methyl-2-oxopentanoate
ChEBI ID CHEBI:17865
Definition A 2-oxo monocarboxylic acid anion that is the conjugate base of 4-methyl-2-oxopentanoic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:20438, CHEBI:12020
Supplier Information
Download Molfile XML SDF
Formula C6H9O3
Net Charge -1
Average Mass 129.13386
Monoisotopic Mass 129.055
InChI InChI=1S/C6H10O3/c1-4(2)3-5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9)/p-1
InChIKey BKAJNAXTPSGJCU-UHFFFAOYSA-M
SMILES CC(C)CC(=O)C([O-])=O
Metabolite of Species Details
Saccharomyces cerevisiae (NCBI:4932) Source: yeast.sf.net See: PubMed
Homo sapiens (NCBI:9606) See: DOI
Roles Classification
Biological Role(s): 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).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 conjugate base of 4-methyl-2-oxopentanoic acid (CHEBI:48430)
Incoming 4-methyl-2-oxopentanoic acid (CHEBI:48430) is conjugate acid of 4-methyl-2-oxopentanoate (CHEBI:17865)
IUPAC Name
4-methyl-2-oxopentanoate
Synonyms Sources
2-Oxoisocaproate KEGG COMPOUND
4-methyl-2-oxopentanoate UniProt
α-ketoisocaproate ChEBI
Database Link Database
C00233 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
3904096 Reaxys Registry Number Reaxys
3904096 Beilstein Registry Number Beilstein
Last Modified
21 January 2016