MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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cyclohexanone

	Properties	Image
MNX_ID	MNXM835
reference	chebi:17854
formula	C₆H₁₀O
global charge	0
mol weight	98.145
InChIKey	JHIVVAPYMSGYDF-UHFFFAOYSA-N
InChI	InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2
SMILES	O=C1CCCCC1

MNX internals

InChI (mnx)	InChI=1/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2
SMILES (mnx)	[CH2:1]1[CH2:2][CH2:4][C:6](=[O:7])[CH2:5][CH2:3]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	18
in models (compartimentalized)	1

Similar chemical compounds in external resources
Identifier	Description
CHEBI:17854 chebi:17854 JHIVVAPYMSGYDF-UHFFFAOYSA-N	cyclohexanone CYCLOHEXANONE Cyclohexanone Cyclohexyl ketone Ketocyclohexane Ketohexamethylene Oxocyclohexane
envipath:...b9246bc466fd envipathM:...b9246bc466fd sabiork.compound:5081 sabiorkM:5081 kegg.compound:C00414 keggC:C00414 JHIVVAPYMSGYDF-UHFFFAOYSA-N	Cyclohexanone
hmdb:HMDB0003315 JHIVVAPYMSGYDF-UHFFFAOYSA-N	Cyclohexanone ANON Anone Cicloesanone Cyclic ketone Cyclohexanon Cyclohexanone homopolymer Cyclohexyl ketone Cykloheksanon Hexanon Hytrol O Hytrolo Ketocyclohexane Ketohexamethylene Nadone Oxocyclohexane Pimelic ketone Pimelin ketone Rcra waste number u057 Sextone cyclohexanone
seed.compound:cpd00329 seedM:cpd00329 vmhM:chxn vmhmetabolite:chxn JHIVVAPYMSGYDF-UHFFFAOYSA-N	Cyclohexanone cyclohexanone
envipath:...d550a3b64656 envipathM:...d550a3b64656 JHIVVAPYMSGYDF-UHFFFAOYSA-N	compound 0048356
metacyc.compound:CYCLOHEXANONE metacycM:CYCLOHEXANONE JHIVVAPYMSGYDF-UHFFFAOYSA-N	cyclohexanone
hmdb:HMDB03315 chebi:14052 chebi:23481 chebi:4014 chebi:41770 keggC:M_C00414 seedM:M_cpd00329 vmhM:M_chxn	secondary/obsolete/fantasy identifier