EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:84280 - 2,7,10-trimethyldodecane

ChEBI IDCHEBI:84280
ChEBI Name2,7,10-trimethyldodecane
Stars
DefinitionAn alkane that is dodecane substituted by methyl groups at positions 2, 7 and 10.
Last Modified13 January 2015
Submitternamrata
DownloadsMolfile
FormulaC15H32
Net Charge0
Average Mass212.421
Monoisotopic Mass212.25040
SMILESCCC(C)CCC(C)CCCCC(C)C
InChIInChI=1S/C15H32/c1-6-14(4)11-12-15(5)10-8-7-9-13(2)3/h13-15H,6-12H2,1-5H3
InChIKeyJCJGCZBSINPZAJ-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)
2,7,10-trimethyldodecane (CHEBI:84280) has parent hydride dodecane (CHEBI:28817)
2,7,10-trimethyldodecane (CHEBI:84280) has role human metabolite (CHEBI:77746)
2,7,10-trimethyldodecane (CHEBI:84280) is a alkane (CHEBI:18310)
IUPAC Name 
2,7,10-trimethyldodecane
Manual XrefsDatabases
LMFA11000686LIPID MAPS
Registry NumbersSources
Reaxys:1698189Reaxys
CAS:74645-98-0ChemIDplus