2,9-dimethyldecane (CHEBI:151058)

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ChEBI Name	2,9-dimethyldecane

ChEBI ID	CHEBI:151058

Definition	An alkane that is decane which is substituted by a methyl group at positions 2 and 9.

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

Submitter	Mark Williams

Supplier Information

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Formula

C12H26

Net Charge

Average Mass

170.340

Monoisotopic Mass

170.20345

InChI

InChI=1S/C12H26/c1-11(2)9-7-5-6-8-10-12(3)4/h11-12H,5-10H2,1-4H3

InChIKey

HWISDPDDDUZJAW-UHFFFAOYSA-N

SMILES

CC(C)CCCCCCC(C)C

Metabolite of Species	Details
Angelica sinensis (NCBI:txid165353)	Found in root (BTO:0001188). See: DOI
Cassia javanica (NCBI:txid508996)	Found in flower (BTO:0000469). See: PubMed
Trichoderma harzianum (NCBI:txid5544)	Found in cell suspension culture (BTO:0000221). 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
Tecoma stans (NCBI:txid69904)	Found in flower (BTO:0000469). See: PubMed

Roles Classification
Biological Role(s):	bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria. 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	2,9-dimethyldecane (CHEBI:151058) has role bacterial metabolite (CHEBI:76969) 2,9-dimethyldecane (CHEBI:151058) has role fungal metabolite (CHEBI:76946) 2,9-dimethyldecane (CHEBI:151058) has role plant metabolite (CHEBI:76924) 2,9-dimethyldecane (CHEBI:151058) has role volatile oil component (CHEBI:27311) 2,9-dimethyldecane (CHEBI:151058) is a alkane (CHEBI:18310) 2,9-dimethyldecane (CHEBI:151058) is a volatile organic compound (CHEBI:134179)

IUPAC Name

2,9-dimethyldecane

Registry Number	Type	Source
1002-17-1	CAS Registry Number	NIST Chemistry WebBook

Last Modified

19 February 2021