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CHEBI:151078 - 2,4,6-trimethyldecane
| Formula | C13H28 |
| Net Charge | 0 |
| Average Mass | 184.367 |
| Monoisotopic Mass | 184.21910 |
| SMILES | CCCCC(C)CC(C)CC(C)C |
| InChI | InChI=1S/C13H28/c1-6-7-8-12(4)10-13(5)9-11(2)3/h11-13H,6-10H2,1-5H3 |
| InChIKey | NPHSALVLRUCAFH-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Escherichia coli (ncbitaxon:562) | cell lysate (BTO:0004304) | MetaboLights (MTBLS1079) | Strain: Escherichia coli str. K-12 substr. DH10B [NCBITAXON:316385] |
| Ophiocordyceps sinensis (ncbitaxon:72228) | - | PubMed (32244487) | |
| Trichoderma longibrachiatum (ncbitaxon:5548) | - | PubMed (28955466) | Strain: TR97 |
| Homo sapiens (ncbitaxon:9606) | |||
| faeces (UBERON:0001988) | PubMed (17314143) | ||
| - | PubMed (19906520) | Identified in the breath of COPD patients. | |
| Zingiber barbatum (ncbitaxon:336852) | - | PubMed (32549365) | |
| Bacillus amyloliquefaciens (ncbitaxon:1390) | - | PubMed (30907064) | Strain: L3 |
| 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. bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria. 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). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2,4,6-trimethyldecane (CHEBI:151078) has role bacterial metabolite (CHEBI:76969) |
| 2,4,6-trimethyldecane (CHEBI:151078) has role fungal metabolite (CHEBI:76946) |
| 2,4,6-trimethyldecane (CHEBI:151078) has role human metabolite (CHEBI:77746) |
| 2,4,6-trimethyldecane (CHEBI:151078) has role plant metabolite (CHEBI:76924) |
| 2,4,6-trimethyldecane (CHEBI:151078) is a alkane (CHEBI:18310) |
| 2,4,6-trimethyldecane (CHEBI:151078) is a volatile organic compound (CHEBI:134179) |
| IUPAC Name |
|---|
| 2,4,6-trimethyldecane |
| Synonym | Source |
|---|---|
| 2,4,6-trimethyl-decane | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| 467987 | ChemSpider |
| Registry Numbers | Sources |
|---|---|
| CAS:62108-27-4 | NIST Chemistry WebBook |
| Citations |
|---|