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CHEBI:88814 - 2,6,8-trimethyldecane
| Formula | C13H28 |
| Net Charge | 0 |
| Average Mass | 184.367 |
| Monoisotopic Mass | 184.21910 |
| SMILES | CCC(C)CC(C)CCCC(C)C |
| InChI | InChI=1S/C13H28/c1-6-12(4)10-13(5)9-7-8-11(2)3/h11-13H,6-10H2,1-5H3 |
| InChIKey | SWDJLVOSNCGQGB-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | |||
| faeces (UBERON:0001988) | PubMed (24260553) | ||
| - | PubMed (27853412) | Identified in the breath of diabetes patients. | |
| Papio hamadryas (ncbitaxon:9557) | - | PubMed (29593130) | Identified in the breath of baboons. |
| Mahonia breviracema (IPNI:906569-1) | leaf (BTO:0000713) | DOI (10.5073/JABFQ.2018.091.023) | |
| Macrosphyra longistyla (ncbitaxon:136902) | leaf (BTO:0000713) | PubMed (31527476) | |
| Metarhizium anisopliae (ncbitaxon:5530) | - | DOI (10.1016/j.biocontrol.2010.08.009) |
| 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. mammalian metabolite Any animal metabolite produced during a metabolic reaction in mammals. fungal metabolite Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds. human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). volatile oil component Any plant metabolite that is found naturally as a component of a volatile oil. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2,6,8-trimethyldecane (CHEBI:88814) has role fungal metabolite (CHEBI:76946) |
| 2,6,8-trimethyldecane (CHEBI:88814) has role human metabolite (CHEBI:77746) |
| 2,6,8-trimethyldecane (CHEBI:88814) has role mammalian metabolite (CHEBI:75768) |
| 2,6,8-trimethyldecane (CHEBI:88814) has role plant metabolite (CHEBI:76924) |
| 2,6,8-trimethyldecane (CHEBI:88814) has role volatile oil component (CHEBI:27311) |
| 2,6,8-trimethyldecane (CHEBI:88814) is a alkane (CHEBI:18310) |
| 2,6,8-trimethyldecane (CHEBI:88814) is a volatile organic compound (CHEBI:134179) |
| IUPAC Name |
|---|
| 2,6,8-trimethyldecane |
| Synonym | Source |
|---|---|
| 2,6,8-trimethyl-decane | HMDB |
| Manual Xrefs | Databases |
|---|---|
| HMDB0030307 | HMDB |
| FDB002145 | FooDB |
| 474900 | ChemSpider |
| Registry Numbers | Sources |
|---|---|
| CAS:62108-26-3 | NIST Chemistry WebBook |
| Citations |
|---|