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CHEBI:84243 - 3,8-dimethylundecane

ChEBI IDCHEBI:84243
ChEBI Name3,8-dimethylundecane
Stars
DefinitionAn alkane that is undecane substituted by methyl groups at positions 3 and 8. Metabolite observed in cancer metabolism.
Last Modified14 January 2015
Submitternamrata
DownloadsMolfile
FormulaC13H28
Net Charge0
Average Mass184.367
Monoisotopic Mass184.21910
SMILESCCCC(C)CCCCC(C)CC
InChIInChI=1S/C13H28/c1-5-9-13(4)11-8-7-10-12(3)6-2/h12-13H,5-11H2,1-4H3
InChIKeyWOGVWUCXENBLIV-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
- PubMed (25518943) Metabolite observed in cancer metabolism.
- MetaboLights (MTBLS150)
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
3,8-dimethylundecane (CHEBI:84243) has parent hydride undecane (CHEBI:46342)
3,8-dimethylundecane (CHEBI:84243) has role human metabolite (CHEBI:77746)
3,8-dimethylundecane (CHEBI:84243) is a alkane (CHEBI:18310)
IUPAC Name 
3,8-dimethylundecane
Registry NumbersSources
Reaxys:10336788Reaxys
Citations