CHEBI:28654 - 3-methyl-2-oxovalerate

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ChEBI Name 3-methyl-2-oxovalerate
ChEBI ID CHEBI:28654
Definition A 2-oxo monocarboxylic acid anion that is the conjugate base of 3-methyl-2-oxovaleric acid, arising from deprotonation of the carboxy group; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:1585, CHEBI:20116
Supplier Information
Download Molfile XML SDF
Formula C6H9O3
Net Charge -1
Average Mass 129.13390
Monoisotopic Mass 129.055
InChI InChI=1S/C6H10O3/c1-3-4(2)5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9)/p-1
InChIKey JVQYSWDUAOAHFM-UHFFFAOYSA-M
SMILES CCC(C)C(=O)C([O-])=O
Metabolite of Species Details
Homo sapiens (NCBI:9606) See: DOI
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 3-methyl-2-oxovalerate (CHEBI:28654) has functional parent valerate (CHEBI:31011)
3-methyl-2-oxovalerate (CHEBI:28654) has role human metabolite (CHEBI:77746)
3-methyl-2-oxovalerate (CHEBI:28654) is a 2-oxo monocarboxylic acid anion (CHEBI:35179)
3-methyl-2-oxovalerate (CHEBI:28654) is conjugate base of 3-methyl-2-oxovaleric acid (CHEBI:35932)
Incoming (S)-3-methyl-2-oxovalerate (CHEBI:35146) is a 3-methyl-2-oxovalerate (CHEBI:28654)
3-methyl-2-oxovaleric acid (CHEBI:35932) is conjugate acid of 3-methyl-2-oxovalerate (CHEBI:28654)
IUPAC Name
3-methyl-2-oxopentanoate
Synonyms Sources
2-keto-3-methylvalerate HMDB
2-Oxo-3-methylpentanoate HMDB
2-Oxo-3-methylvalerate KEGG COMPOUND
3-Methyl-2-oxopentanoate HMDB
3-Methyl-2-oxovalerate HMDB
α-keto-β-methylvalerate ChEBI
α-oxo-β-methylvalerate ChEBI
Database Links Databases
C03465 KEGG COMPOUND
HMDB00491 HMDB
View more database links
Registry Numbers Types Sources
3904281 Reaxys Registry Number Reaxys
3904281 Beilstein Registry Number Beilstein
Last Modified
10 March 2014