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

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3-Methylcyclohexanol

	Properties	Image
MNX_ID	MNXM36623
reference	chebi:195740
formula	C₇H₁₄O
global charge	0
mol weight	114.188
InChIKey	HTSABYAWKQAHBT-UHFFFAOYSA-N
InChI	InChI=1S/C7H14O/c1-6-3-2-4-7(8)5-6/h6-8H,2-5H2,1H3
SMILES	CC1CCCC(O)C1

MNX internals

InChI (mnx)	InChI=1/C7H14O/c1-6-3-2-4-7(8)5-6/h6-8H,2-5H2,1H3/t6?,7?
SMILES (mnx)	[CH3:1][CH:6]1[CH2:3][CH2:2][CH2:4][CH:7]([OH:8])[CH2:5]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:195740 chebi:195740 HTSABYAWKQAHBT-UHFFFAOYSA-N	3-Methylcyclohexanol 3-methylcyclohexan-1-ol
sabiork.compound:23201 sabiorkM:23201 HTSABYAWKQAHBT-UHFFFAOYSA-N	3-Methylcyclohexanol
hmdb:HMDB0031538 HTSABYAWKQAHBT-UHFFFAOYSA-N	3-Methylcyclohexanol 3-Methyl-cis-cyclohexanol 3-Methyl-cyclohexanol 3-Methyl-trans-cyclohexanol 3-Methylcyclohexanol, (1R-cis)-isomer 3-Methylcyclohexanol, (1R-trans)-isomer 3-Methylcyclohexanol, (1S-cis)-isomer 3-Methylcyclohexanol, (cis-(+-))-isomer 3-Methylcyclohexanol, (trans-(+-))-isomer 3-Methylcyclohexanol, cis-isomer 3-Methylcyclohexanol, mixed isomers 3-Methylcyclohexanol, mixture OF cis and trans 3-Methylcyclohexanol, trans-isomer 3-Methylcyclohexanol,camp t 3-methylcyclohexan-1-ol 3-methylcyclohexanol Hexahydro-m-cresol cis-3-METHYLCYCLOHEXANOL m-Methyl-cyclohexanol m-Methylcyclohexanol trans-3-METHYLCYCLOHEXANOL
metacyc.compound:CPD-10086 metacycM:CPD-10086 seed.compound:cpd22549 seedM:cpd22549 HTSABYAWKQAHBT-UHFFFAOYSA-N	3-methyl-cyclohexanol
hmdb:HMDB31538 seedM:M_cpd22549	secondary/obsolete/fantasy identifier