EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:233711 - 2-ethyl-5-oxohexanoic acid

Default Structure
ChEBI IDCHEBI:233711
ChEBI Name2-ethyl-5-oxohexanoic acid
Stars
DefinitionBranched fatty acid, with an ethyl group at position 2 and a 5-oxo group
Last Modified21 May 2026
SubmitterJoanne
DownloadsMolfile
FormulaC8H13O3
Net Charge-1
Average Mass157.189
Monoisotopic Mass157.08702
SMILESCCC(CCC(C)=O)C(=O)[O-]
InChIInChI=1S/C8H14O3/c1-3-7(8(10)11)5-4-6(2)9/h7H,3-5H2,1-2H3,(H,10,11)/p-1
InChIKeyZLEMAINZCCYLAD-UHFFFAOYSA-M
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
2-ethyl-5-oxohexanoic acid (CHEBI:233711) has functional parent 2-ethyl-5-hydroxyhexanoic acid (CHEBI:233710)
2-ethyl-5-oxohexanoic acid (CHEBI:233711) has functional parent 2-Ethylhexanoic acid (CHEBI:89058)
2-ethyl-5-oxohexanoic acid (CHEBI:233711) has functional parent 5-oxohexanoic acid (CHEBI:15888)
2-ethyl-5-oxohexanoic acid (CHEBI:233711) has parent hydride hexanoic acid (CHEBI:30776)
2-ethyl-5-oxohexanoic acid (CHEBI:233711) is a human metabolite (CHEBI:77746)
2-ethyl-5-oxohexanoic acid (CHEBI:233711) is a organic molecular entity (CHEBI:50860)
2-ethyl-5-oxohexanoic acid (CHEBI:233711) is a short-chain fatty acid (CHEBI:26666)
Synonym  Source
2-ethyl-5-keto-hexanoic acidSUBMITTER
Citations