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CHEBI:84237 - 3,5-dimethyloctane

ChEBI IDCHEBI:84237
ChEBI Name3,5-dimethyloctane
Stars
DefinitionAn alkane that is octane substituted by methyl groups at positions 3 and 5. Metabolite observed in cancer metabolism.
Last Modified14 January 2015
Submitternamrata
DownloadsMolfile
FormulaC10H22
Net Charge0
Average Mass142.286
Monoisotopic Mass142.17215
SMILESCCCC(C)CC(C)CC
InChIInChI=1S/C10H22/c1-5-7-10(4)8-9(3)6-2/h9-10H,5-8H2,1-4H3
InChIKeyVRHRGVJOUHJULC-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)
3,5-dimethyloctane (CHEBI:84237) has parent hydride octane (CHEBI:17590)
3,5-dimethyloctane (CHEBI:84237) has role human metabolite (CHEBI:77746)
3,5-dimethyloctane (CHEBI:84237) is a alkane (CHEBI:18310)
IUPAC Name 
3,5-dimethyloctane
Registry NumbersSources
Reaxys:1696983Reaxys
CAS:15869-93-9ChemIDplus
Citations