cyclohexanone (CHEBI:17854)

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ChEBI Name	cyclohexanone

ChEBI ID	CHEBI:17854

Definition	A cyclic ketone that consists of cyclohexane bearing a single oxo substituent.

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:4014, CHEBI:41770, CHEBI:14052, CHEBI:23481

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Formula

C6H10O

Net Charge

Average Mass

98.14300

Monoisotopic Mass

98.07316

InChI

InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2

InChIKey

JHIVVAPYMSGYDF-UHFFFAOYSA-N

SMILES

O=C1CCCCC1

Roles Classification
Biological Role(s):	human xenobiotic metabolite Any human metabolite produced by metabolism of a xenobiotic compound in humans.

ChEBI Ontology
Outgoing	cyclohexanone (CHEBI:17854) has role human xenobiotic metabolite (CHEBI:76967) cyclohexanone (CHEBI:17854) is a cyclohexanones (CHEBI:23482)

Incoming	(1S,2S,3S)-3-methoxy-2-[(2E)-6-methylhept-2-en-2-yl]-4-oxocyclohexanecarbaldehyde (CHEBI:48411) has functional parent cyclohexanone (CHEBI:17854) (2S,3S,4S)-4-(hydroxymethyl)-2-methoxy-3-[(2E)-6-methylhept-2-en-2-yl]cyclohexanone (CHEBI:48410) has functional parent cyclohexanone (CHEBI:17854) 4-oxocyclohexanecarboxylic acid (CHEBI:1921) has functional parent cyclohexanone (CHEBI:17854) fumagalone (CHEBI:48530) has functional parent cyclohexanone (CHEBI:17854)

IUPAC Name

cyclohexanone

Last Modified

23 October 2015