methylcyclohexane (CHEBI:165745)

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ChEBI Name	methylcyclohexane

ChEBI ID	CHEBI:165745

Definition	A cycloalkane that is cyclohexane substituted by a single methyl group.

Stars	This entity has been manually annotated by the ChEBI Team.

Submitter	MetaboLights

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Formula

C7H14

Net Charge

Average Mass

98.189

Monoisotopic Mass

98.10955

InChI

InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3

InChIKey

UAEPNZWRGJTJPN-UHFFFAOYSA-N

SMILES

CC1CCCCC1

Metabolite of Species	Details
Opuntia ficus-indica (NCBI:txid371859)	See: DOI
Homo sapiens (NCBI:txid9606)	Identified in the breath of patients with colorectal cancer. See: DOI

Roles Classification
Chemical Role(s):	aprotic solvent

Biological Role(s):	human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.

Application(s):	aprotic solvent

ChEBI Ontology
Outgoing	methylcyclohexane (CHEBI:165745) has parent hydride cyclohexane (CHEBI:29005) methylcyclohexane (CHEBI:165745) has role aprotic solvent (CHEBI:48357) methylcyclohexane (CHEBI:165745) has role human metabolite (CHEBI:77746) methylcyclohexane (CHEBI:165745) has role plant metabolite (CHEBI:76924) methylcyclohexane (CHEBI:165745) is a cycloalkane (CHEBI:23453) methylcyclohexane (CHEBI:165745) is a volatile organic compound (CHEBI:134179)

IUPAC Name

methylcyclohexane

Last Modified

03 March 2021