EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:11851 - 3-methyl-2-oxobutanoate

ChEBI IDCHEBI:11851
ChEBI Name3-methyl-2-oxobutanoate
Stars
DefinitionA 2-oxo monocarboxylic acid anion that is the conjugate base of 3-methyl-2-oxobutanoic acid, arising from deprotonation of the carboxy group.
Last Modified22 April 2022
DownloadsMolfile

FormulaC5H7O3
Net Charge-1
Average Mass115.108
Monoisotopic Mass115.04007
SMILESCC(C)C(=O)C(=O)[O-]
InChIInChI=1S/C5H8O3/c1-3(2)4(6)5(7)8/h3H,1-2H3,(H,7,8)/p-1
InChIKeyQHKABHOOEWYVLI-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

ChEBI Ontology
IUPAC Name 
3-methyl-2-oxobutanoate
Synonyms  Source
2-Oxo-3-methylbutanoateKEGG COMPOUND
2-OxoisovalerateKEGG COMPOUND
2-OxoisopentanoateKEGG COMPOUND
α-keto-isovalerateChEBI
3-methyl-2-oxobutyrateChEBI
UniProt Name  Source
3-methyl-2-oxobutanoateUniProt
Manual XrefsDatabases
C00141KEGG COMPOUND
2-KETO-ISOVALERATEMetaCyc
Registry NumbersSources
Reaxys:3661467Reaxys
Citations