5-oxohexanoic acid (CHEBI:15888)

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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

Download	Molfile XML SDF

Formula

C6H10O3

Net Charge

Average Mass

130.14180

Monoisotopic Mass

130.06299

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.

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

Last Modified

23 October 2015