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CHEBI:84249 - 4,6-dimethyldodecane

ChEBI IDCHEBI:84249
ChEBI Name4,6-dimethyldodecane
Stars
DefinitionAn alkane that is dodecane substituted by methyl groups at positions 4 and 6. Metabolite observed in cancer metabolism.
Last Modified14 January 2015
Submitternamrata
DownloadsMolfile
FormulaC14H30
Net Charge0
Average Mass198.394
Monoisotopic Mass198.23475
SMILESCCCCCCC(C)CC(C)CCC
InChIInChI=1S/C14H30/c1-5-7-8-9-11-14(4)12-13(3)10-6-2/h13-14H,5-12H2,1-4H3
InChIKeyFNUQJWPIADDMRS-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)
4,6-dimethyldodecane (CHEBI:84249) has parent hydride dodecane (CHEBI:28817)
4,6-dimethyldodecane (CHEBI:84249) has role human metabolite (CHEBI:77746)
4,6-dimethyldodecane (CHEBI:84249) is a alkane (CHEBI:18310)
IUPAC Name 
4,6-dimethyldodecane
Manual XrefsDatabases
LMFA11000691LIPID MAPS
Registry NumbersSources
Reaxys:1918711Reaxys
Citations