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

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3-hydroxycyclohexanone

	Properties	Image
MNX_ID	MNXM4338
reference	chebi:17611
formula	C₆H₁₀O₂
global charge	0
mol weight	114.144
InChIKey	TWEVQGUWCLBRMJ-UHFFFAOYSA-N
InChI	InChI=1S/C6H10O2/c7-5-2-1-3-6(8)4-5/h5,7H,1-4H2
SMILES	O=C1CCCC(O)C1

MNX internals

InChI (mnx)	InChI=1/C6H10O2/c7-5-2-1-3-6(8)4-5/h5,7H,1-4H2/t5?
SMILES (mnx)	[CH2:1]1[CH2:2][CH:5]([OH:7])[CH2:4][C:6](=[O:8])[CH2:3]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	5
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:17611 chebi:17611 TWEVQGUWCLBRMJ-UHFFFAOYSA-N	3-hydroxycyclohexanone 3-Hydroxycyclohexanone 3-hydroxycyclohexan-1-one
kegg.compound:C03228 keggC:C03228 TWEVQGUWCLBRMJ-UHFFFAOYSA-N	3-Hydroxycyclohexanone
seed.compound:cpd02066 seedM:cpd02066 TWEVQGUWCLBRMJ-UHFFFAOYSA-N	3-Hydroxycyclohexanone 3-hydroxycyclohexanone
metacyc.compound:3-HYDROXYCYCLOHEXANONE metacycM:3-HYDROXYCYCLOHEXANONE TWEVQGUWCLBRMJ-UHFFFAOYSA-N	3-hydroxycyclohexanone
envipath:...8c82aa6c9919 envipathM:...8c82aa6c9919 envipath:...ff0bb8059020 envipathM:...ff0bb8059020 TWEVQGUWCLBRMJ-UHFFFAOYSA-N	compound 0053156
chebi:11832 chebi:1542 chebi:20069 keggC:M_C03228 seedM:M_cpd02066	secondary/obsolete/fantasy identifier