2,4,6-trimethyldecane (CHEBI:151078)

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ChEBI Name	2,4,6-trimethyldecane

ChEBI ID	CHEBI:151078

Definition	An alkane that is decane substituted by a methyl group at positions 2,4 and 6.

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

Submitter	Mark Williams

Supplier Information

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Formula

C13H28

Net Charge

Average Mass

184.367

Monoisotopic Mass

184.21910

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

SMILES

CCCCC(C)CC(C)CC(C)C

Metabolite of Species	Details
Bacillus amyloliquefaciens (NCBI:txid1390)	of strain L3 See: PubMed
Zingiber barbatum (NCBI:txid336852)	See: PubMed
Trichoderma longibrachiatum (NCBI:txid5548)	of strain TR97 See: PubMed
Escherichia coli (NCBI:txid562)	Found in cell lysate (BTO:0004304). of strain Escherichia coli str. K-12 substr. DH10B [NCBITAXON:316385] See: MetaboLights Study
Ophiocordyceps sinensis (NCBI:txid72228)	See: PubMed
Homo sapiens (NCBI:txid9606)	Found in faeces (UBERON:0001988). See: PubMed
Homo sapiens (NCBI:txid9606)	Identified in the breath of COPD patients. See: PubMed

Roles Classification
Biological Role(s):	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). plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.

ChEBI Ontology
Outgoing	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

Registry Number	Type	Source
62108-27-4	CAS Registry Number	NIST Chemistry WebBook

Last Modified

19 February 2021