2,6,8-trimethyldecane (CHEBI:88814)

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ChEBI Name	2,6,8-trimethyldecane

ChEBI ID	CHEBI:88814

Definition	An alkane that is decane substituted by a methyl group at positions 2,6 and 8. It is a combustion product of natural gas.

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

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Formula

C13H28

Net Charge

Average Mass

184.367

Monoisotopic Mass

184.21910

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

SMILES

CCC(C)CC(C)CCCC(C)C

Metabolite of Species	Details
Mahonia breviracema (IPNI:906569-1)	Found in leaf (BTO:0000713). See: DOI
Macrosphyra longistyla (NCBI:txid136902)	Found in leaf (BTO:0000713). See: PubMed
Metarhizium anisopliae (NCBI:txid5530)	See: DOI
Papio hamadryas (NCBI:txid9557)	Identified in the breath of baboons. See: PubMed
Homo sapiens (NCBI:txid9606)	Found in faeces (UBERON:0001988). See: PubMed
Homo sapiens (NCBI:txid9606)	Identified in the breath of diabetes patients. See: PubMed

Roles Classification
Biological Role(s):	mammalian metabolite Any animal metabolite produced during a metabolic reaction in mammals. 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. volatile oil component Any plant metabolite that is found naturally as a component of a volatile oil. fungal metabolite Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.

ChEBI Ontology
Outgoing	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

Registry Number	Type	Source
62108-26-3	CAS Registry Number	NIST Chemistry WebBook

Last Modified

19 February 2021