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CHEBI:165732 - 1,4-dimethylcyclohexane
| Formula | C8H16 |
| Net Charge | 0 |
| Average Mass | 112.216 |
| Monoisotopic Mass | 112.12520 |
| SMILES | CC1CCC(C)CC1 |
| InChI | InChI=1S/C8H16/c1-7-3-5-8(2)6-4-7/h7-8H,3-6H2,1-2H3 |
| InChIKey | QRMPKOFEUHIBNM-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | - | DOI (10.1016/j.tube.2006.03.004) | Identified in the breath of patients with pulmonary tuberculosis. |
| Camellia oleifera (ncbitaxon:385388) | seed (BTO:0001226) | PubMed (30918643) |
| Roles Classification |
|---|
| Biological Roles: | plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 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 Relation(s) |
| 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 |
| Synonyms | Source |
|---|---|
| 1,4-dimethyl-cyclohexane | ChEBI |
| 1,4-dimethyl cyclohexane | ChEBI |
| hexahydro-p-xylene | ChEBI |
| p-dimethylcyclohexane | NIST Chemistry WebBook |
| Manual Xrefs | Databases |
|---|---|
| 11039 | ChemSpider |
| LMFA11000638 | LIPID MAPS |
| Citations |
|---|