EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:86365 - 2-methyl-3-ketovaleric acid

ChEBI IDCHEBI:86365
ChEBI Name2-methyl-3-ketovaleric acid
Stars
DefinitionA 3-oxo monocarboxylic acid that is valeric acid substituted by a methyl group at position 2 and a keto group at position 3.
Last Modified20 January 2017
Submitternamrata
DownloadsMolfile
FormulaC6H10O3
Net Charge0
Average Mass130.143
Monoisotopic Mass130.06299
SMILESCCC(=O)C(C)C(=O)O
InChIInChI=1S/C6H10O3/c1-3-5(7)4(2)6(8)9/h4H,3H2,1-2H3,(H,8,9)
InChIKeyQTLYPQZWYOHATR-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - PubMed (24023812)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
2-methyl-3-ketovaleric acid (CHEBI:86365) has functional parent valeric acid (CHEBI:17418)
2-methyl-3-ketovaleric acid (CHEBI:86365) has role human metabolite (CHEBI:77746)
2-methyl-3-ketovaleric acid (CHEBI:86365) is a 3-oxo monocarboxylic acid (CHEBI:47881)
IUPAC Name 
2-methyl-3-oxopentanoic acid
Synonyms  Source
2-Methyl-3-oxovaleric acidHMDB
beta-Ketoisocaproic acidHMDB
2-Methyl-3-oxo-pentanoic acidHMDB
Manual XrefsDatabases
HMDB0000408HMDB
LMFA01060192LIPID MAPS
Registry NumbersSources
Reaxys:6122768Reaxys
CAS:14925-93-0ChemIDplus
Citations