CHEBI:17854 - cyclohexanone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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
Supplier Information
Save molfile Download Molfile
Wikipedia License
Waiting for wikipedia content
Read full article at Wikipedia
Formula C6H10O
Net Charge 0
Average Mass 98.14300
Monoisotopic Mass 98.073
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.
View more via ChEBI Ontology
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
Synonyms Sources
CYCLOHEXANONE PDBeChem
Cyclohexanone KEGG COMPOUND
cyclohexanone UniProt
Cyclohexyl ketone ChemIDplus
Ketocyclohexane HMDB
Ketohexamethylene ChemIDplus
Oxocyclohexane HMDB
Database Links Databases
C00414 KEGG COMPOUND
c0195 UM-BBD
Cyclohexanone Wikipedia
CYCLOHEXANONE MetaCyc
CYH PDBeChem
DB02060 DrugBank
GB310055 Patent
HMDB03315 HMDB
US2223493 Patent
US2223494 Patent
US2285914 Patent
View more database links
Registry Numbers Types Sources
108-94-1 CAS Registry Number KEGG COMPOUND
108-94-1 CAS Registry Number NIST Chemistry WebBook
108-94-1 CAS Registry Number ChemIDplus
385735 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
20928898 PubMed citation Europe PMC
21556397 PubMed citation Europe PMC
21647476 PubMed citation Europe PMC
21766129 PubMed citation Europe PMC
7814101 PubMed citation Europe PMC
Last Modified
23 October 2015