1,4-dimethylcyclohexane (CHEBI:165732)

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ChEBI Name	1,4-dimethylcyclohexane

ChEBI ID	CHEBI:165732

Definition	A cycloalkane that is cyclohexane substituted by a methyl group at positions 1 and 4.

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C8H16

Net Charge

Average Mass

112.216

Monoisotopic Mass

112.12520

InChI

InChI=1S/C8H16/c1-7-3-5-8(2)6-4-7/h7-8H,3-6H2,1-2H3

InChIKey

QRMPKOFEUHIBNM-UHFFFAOYSA-N

SMILES

CC1CCC(C)CC1

Metabolite of Species	Details
Camellia oleifera (NCBI:txid385388)	Found in seed (BTO:0001226). See: PubMed
Homo sapiens (NCBI:txid9606)	Identified in the breath of patients with pulmonary tuberculosis. See: DOI

Roles Classification
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.

ChEBI Ontology
Outgoing	1,4-dimethylcyclohexane (CHEBI:165732) has parent hydride cyclohexane (CHEBI:29005) 1,4-dimethylcyclohexane (CHEBI:165732) has role human metabolite (CHEBI:77746) 1,4-dimethylcyclohexane (CHEBI:165732) has role plant metabolite (CHEBI:76924) 1,4-dimethylcyclohexane (CHEBI:165732) is a cycloalkane (CHEBI:23453)

Incoming	cis-1,4-dimethylcyclohexane (CHEBI:167602) is a 1,4-dimethylcyclohexane (CHEBI:165732) trans-1,4-dimethylcyclohexane (CHEBI:167603) is a 1,4-dimethylcyclohexane (CHEBI:165732)

IUPAC Name

1,4-dimethylcyclohexane

Last Modified

05 March 2021