CHEBI:84237 - 3,5-dimethyloctane

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ChEBI Name 3,5-dimethyloctane
ChEBI ID CHEBI:84237
Definition An alkane that is octane substituted by methyl groups at positions 3 and 5. Metabolite observed in cancer metabolism.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C10H22
Net Charge 0
Average Mass 142.28170
Monoisotopic Mass 142.172
InChI InChI=1S/C10H22/c1-5-7-10(4)8-9(3)6-2/h9-10H,5-8H2,1-4H3
InChIKey VRHRGVJOUHJULC-UHFFFAOYSA-N
SMILES CCCC(C)CC(C)CC
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Metabolite observed in cancer metabolism. See: PubMed
Homo sapiens (NCBI:txid9606) See: MetaboLights Study
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
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ChEBI Ontology
Outgoing 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 Numbers Types Sources
15869-93-9 CAS Registry Number ChemIDplus
1696983 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
25518943 PubMed citation Europe PMC
Last Modified
14 January 2015