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CHEBI:165745 - methylcyclohexane
| Formula | C7H14 |
| Net Charge | 0 |
| Average Mass | 98.189 |
| Monoisotopic Mass | 98.10955 |
| SMILES | CC1CCCCC1 |
| InChI | InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3 |
| InChIKey | UAEPNZWRGJTJPN-UHFFFAOYSA-N |
| Wikipedia |
|---|
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Opuntia ficus-indica (ncbitaxon:371859) | - | DOI (10.1021/jf60218a053) | |
| Homo sapiens (ncbitaxon:9606) | - | DOI (10.1002/bjs.8942) | Identified in the breath of patients with colorectal cancer. |
| Roles Classification |
|---|
| Chemical Role: | |
| Biological Roles: | 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: |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 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 |
| Synonyms | Source |
|---|---|
| cyclohexylmethane | ChemIDplus |
| hexahydrotoluene | ChemIDplus |
| toluene hexahydride | ChemIDplus |
| sextone B | ChemIDplus |
| methyl cyclohexane | ChEBI |
| methyl-cyclohexane | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| 7674 | ChemSpider |
| LMFA11000660 | LIPID MAPS |
| FDB004722 | FooDB |
| C00035853 | KNApSAcK |
| Methylcyclohexane | Wikipedia |
| QTE | PDBeChem |
| Citations |
|---|