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CHEBI:15888 - 5-oxohexanoic acid

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ChEBI Name 5-oxohexanoic acid
ChEBI ID CHEBI:15888
Definition A medium-chain fatty acid comprising hexanoic acid carrying a 5-oxo group.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:2114, CHEBI:20621
Supplier Information
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Formula C6H10O3
Net Charge 0
Average Mass 130.14180
Monoisotopic Mass 130.063
InChI InChI=1S/C6H10O3/c1-5(7)3-2-4-6(8)9/h2-4H2,1H3,(H,8,9)
InChIKey MGTZCLMLSSAXLD-UHFFFAOYSA-N
SMILES CC(=O)CCCC(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): bacterial xenobiotic metabolite
Any bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 5-oxohexanoic acid (CHEBI:15888) has functional parent hexanoic acid (CHEBI:30776)
5-oxohexanoic acid (CHEBI:15888) has role bacterial xenobiotic metabolite (CHEBI:76976)
5-oxohexanoic acid (CHEBI:15888) is a 5-oxo monocarboxylic acid (CHEBI:35952)
5-oxohexanoic acid (CHEBI:15888) is a medium-chain fatty acid (CHEBI:59554)
5-oxohexanoic acid (CHEBI:15888) is a oxo fatty acid (CHEBI:59644)
5-oxohexanoic acid (CHEBI:15888) is a straight-chain fatty acid (CHEBI:59202)
5-oxohexanoic acid (CHEBI:15888) is conjugate acid of 5-oxohexanoate (CHEBI:12154)
Incoming 5-oxohexanoate (CHEBI:12154) is conjugate base of 5-oxohexanoic acid (CHEBI:15888)
IUPAC Name
5-oxohexanoic acid
Synonyms Sources
4-acetyl-butanoic acid ChEBI
4-acetyl-butyric acid ChEBI
4-Acetylbutyric acid KEGG COMPOUND
5-keto-n-caproic acid LIPID MAPS
5-Ketocaproic acid ChemIDplus
5-Ketohexanoic acid ChemIDplus
5-oxocaproic acid ChEBI
5-Oxohexanoate KEGG COMPOUND
5-Oxohexanoic acid KEGG COMPOUND
delta-Ketocaproic acid ChemIDplus
delta-Oxocaproic acid ChemIDplus
gamma-Acetylbutyric acid ChemIDplus
Database Links Databases
4AT PDBeChem
C02129 KEGG COMPOUND
EP0062305 Patent
LMFA01060010 LIPID MAPS
View more database links
Registry Numbers Types Sources
3128-06-1 CAS Registry Number KEGG COMPOUND
3128-06-1 CAS Registry Number NIST Chemistry WebBook
3128-06-1 CAS Registry Number ChemIDplus
385840 Beilstein Registry Number Beilstein
385840 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
2505723 PubMed citation Europe PMC
3715925 PubMed citation Europe PMC
Last Modified
23 October 2015