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CHEBI:44680 - 3-oxooctanoic acid

ChEBI IDCHEBI:44680
ChEBI Name3-oxooctanoic acid
Stars
DefinitionA derivative of octanoic acid carrying a β-oxo group; a possible metabolite of 2-octynoic acid.
Secondary ChEBI IDsCHEBI:37106, CHEBI:44675
Last Modified6 February 2017
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC8H14O3
Net Charge0
Average Mass158.197
Monoisotopic Mass158.09429
SMILESCCCCCC(=O)CC(=O)O
InChIInChI=1S/C8H14O3/c1-2-3-4-5-7(9)6-8(10)11/h2-6H2,1H3,(H,10,11)
InChIKeyFWNRRWJFOZIGQZ-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
3-oxooctanoic acid (CHEBI:44680) has functional parent octanoic acid (CHEBI:28837)
3-oxooctanoic acid (CHEBI:44680) is a 3-oxo fatty acid (CHEBI:134416)
Incoming Relation(s)
3-oxooctanoyl-CoA (CHEBI:28264) has functional parent 3-oxooctanoic acid (CHEBI:44680)
IUPAC Name 
3-oxooctanoic acid
Synonyms  Source
3-Ketooctanoic acidChemIDplus
3-keto-n-caprylic acidLIPID MAPS
β-ketocaprylic acidChEBI
β-ketooctanoic acidChEBI
β-oxocaprylic acidChEBI
β-oxooctanoic acidChEBI
Manual XrefsDatabases
LMFA01060017LIPID MAPS
Registry NumbersSources
Beilstein:1761409Beilstein
CAS:13283-91-5ChemIDplus
Citations