CHEBI:151058 - 2,9-dimethyldecane

ChEBI IDCHEBI:151058
ChEBI Name2,9-dimethyldecane
Stars
DefinitionAn alkane that is decane which is substituted by a methyl group at positions 2 and 9.
Last Modified19 February 2021
Submittermwilliams
DownloadsMolfile
FormulaC12H26
Net Charge0
Average Mass170.340
Monoisotopic Mass170.20345
SMILESCC(C)CCCCCCC(C)C
InChIInChI=1S/C12H26/c1-11(2)9-7-5-6-8-10-12(3)4/h11-12H,5-10H2,1-4H3
InChIKeyHWISDPDDDUZJAW-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Escherichia coli (ncbitaxon:562) cell lysate (BTO:0004304) MetaboLights (MTBLS1079) Strain: Escherichia coli str. K-12 substr. DH10B [NCBITAXON:316385]
Cassia javanica (ncbitaxon:508996) flower (BTO:0000469) PubMed (31238555)
Tecoma stans (ncbitaxon:69904) flower (BTO:0000469) PubMed (31238555)
Angelica sinensis (ncbitaxon:165353) root (BTO:0001188) DOI (10.1007/s11771-005-0177-8)
Trichoderma harzianum (ncbitaxon:5544) cell suspension culture (BTO:0000221) PubMed (22407347)
Roles Classification
Biological Roles:
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 Relation(s)
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
Synonyms  Source
2,9-dimethyl-decaneChEBI
2,9-DimethyldecanChEBI
2,9-diméthyldécaneChEBI
Manual XrefsDatabases
451721ChemSpider
Registry NumbersSources
CAS:1002-17-1NIST Chemistry WebBook
Citations