EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:84231 - (3E)-2,6-dimethyloct-3-ene

ChEBI IDCHEBI:84231
ChEBI Name(3E)-2,6-dimethyloct-3-ene
Stars
ASCII Name(3E)-2,6-dimethyloct-3-ene
DefinitionAn alkene that is (3E)-oct-3-ene substituted by methyl groups at positions 2 and 6. Metabolite observed in cancer metabolism.
Last Modified14 January 2015
Submitternamrata
DownloadsMolfile
FormulaC10H20
Net Charge0
Average Mass140.270
Monoisotopic Mass140.15650
SMILESCCC(C)C/C=C/C(C)C
InChIInChI=1S/C10H20/c1-5-10(4)8-6-7-9(2)3/h6-7,9-10H,5,8H2,1-4H3/b7-6+
InChIKeyUUHFPYZUZFHRJP-VOTSOKGWSA-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)
(3E)-2,6-dimethyloct-3-ene (CHEBI:84231) has role human metabolite (CHEBI:77746)
(3E)-2,6-dimethyloct-3-ene (CHEBI:84231) is a alkene (CHEBI:32878)
IUPAC Name 
(3E)-2,6-dimethyloct-3-ene
Registry NumbersSources
Reaxys:1840080Reaxys
Citations