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

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cyclohexan-1,2-dione

	Properties	Image
MNX_ID	MNXM3244
reference	chebi:41674
formula	C₆H₈O₂
global charge	0
mol weight	112.128
InChIKey	OILAIQUEIWYQPH-UHFFFAOYSA-N
InChI	InChI=1S/C6H8O2/c7-5-3-1-2-4-6(5)8/h1-4H2
SMILES	O=C1CCCCC1=O

MNX internals

InChI (mnx)	InChI=1/C6H8O2/c7-5-3-1-2-4-6(5)8/h1-4H2
SMILES (mnx)	[CH2:1]1[CH2:2][CH2:4][C:6](=[O:8])[C:5](=[O:7])[CH2:3]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:41674 chebi:41674 OILAIQUEIWYQPH-UHFFFAOYSA-N	cyclohexan-1,2-dione 1,2-cyclohexadione 1,2-cyclohexanedione 1,2-dioxocyclohexane cyclohexane-1,2-dione
hmdb:HMDB0031344 OILAIQUEIWYQPH-UHFFFAOYSA-N	1,2-Cyclohexanedione 1,2-CYCLOHEXANEDIONE,ketone form 1,2-Cyclohexadione 1,2-Dioxocyclohexane 2-Hydroxy-2-cyclohexen-1-one Cyclohexan-1,2-dione Cyclohexane-1,2-dione Cyclohexanecarbonitrile
sabiork.compound:2864 sabiorkM:2864 OILAIQUEIWYQPH-UHFFFAOYSA-N	Cyclohexan-1,2-dione 1,2-Cyclohexanedione
seed.compound:cpd03643 seedM:cpd03643 OILAIQUEIWYQPH-UHFFFAOYSA-N	Cyclohexan-1,2-dione 1,2-cyclohexanedione 1,2-dioxocyclohexane Cyclohexane-1,2-dione cyclohexane-1,2-dione
vmhM:chxn12dn vmhmetabolite:chxn12dn OILAIQUEIWYQPH-UHFFFAOYSA-N	Cyclohexan-1,2-dione cyclohexane-1,2-dione
kegg.compound:C06105 keggC:C06105 OILAIQUEIWYQPH-UHFFFAOYSA-N	Cyclohexane-1,2-dione
metacyc.compound:CPD0-1349 metacycM:CPD0-1349 OILAIQUEIWYQPH-UHFFFAOYSA-N	cyclohexane-1,2-dione 1,2-cyclohexanedione 1,2-dioxocyclohexane
hmdb:HMDB31344 chebi:4008 chebi:41668 keggC:M_C06105 seedM:M_cpd03643 vmhM:M_chxn12dn	secondary/obsolete/fantasy identifier