EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:84285 - 4,6-dimethylundecane

ChEBI IDCHEBI:84285
ChEBI Name4,6-dimethylundecane
Stars
DefinitionAn alkane that is undecane substituted by methyl groups at positions 4 and 6.
Last Modified13 January 2015
Submitternamrata
DownloadsMolfile
FormulaC13H28
Net Charge0
Average Mass184.367
Monoisotopic Mass184.21910
SMILESCCCCCC(C)CC(C)CCC
InChIInChI=1S/C13H28/c1-5-7-8-10-13(4)11-12(3)9-6-2/h12-13H,5-11H2,1-4H3
InChIKeyYXHLCYIRSXOVHP-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - MetaboLights (MTBLS152)
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
4,6-dimethylundecane (CHEBI:84285) has parent hydride undecane (CHEBI:46342)
4,6-dimethylundecane (CHEBI:84285) has role human metabolite (CHEBI:77746)
4,6-dimethylundecane (CHEBI:84285) is a alkane (CHEBI:18310)
IUPAC Name 
4,6-dimethylundecane
Manual XrefsDatabases
LMFA11000692LIPID MAPS