EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:62222 - 4-methyl-3-oxopentanoate

ChEBI IDCHEBI:62222
ChEBI Name4-methyl-3-oxopentanoate
Stars
DefinitionThe monocarboxylic acid anion formed from 3-oxo-4-methylpentanoic acid; principal microspecies at pH 7.3.
Last Modified5 February 2021
SubmitterAnne Morgat
DownloadsMolfile
FormulaC6H9O3
Net Charge-1
Average Mass129.135
Monoisotopic Mass129.05572
SMILESCC(C)C(=O)CC(=O)[O-]
InChIInChI=1S/C6H10O3/c1-4(2)5(7)3-6(8)9/h4H,3H2,1-2H3,(H,8,9)/p-1
InChIKeyZXLSKTZECNUVIS-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
4-methyl-3-oxopentanoate (CHEBI:62222) is a monocarboxylic acid anion (CHEBI:35757)
4-methyl-3-oxopentanoate (CHEBI:62222) is conjugate base of 4-methyl-3-oxopentanoic acid (CHEBI:29024)
Incoming Relation(s)
4-methyl-3-oxopentanoic acid (CHEBI:29024) is conjugate acid of 4-methyl-3-oxopentanoate (CHEBI:62222)
IUPAC Name 
4-methyl-3-oxopentanoate
Synonyms  Source
β-oxo-4-methylcaproateSUBMITTER
β-ketoisocaproateSUBMITTER
UniProt Name  Source
4-methyl-3-oxopentanoateUniProt
Manual XrefsDatabases
CPD-7030MetaCyc