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CHEBI:84242 - 3,7-dimethyl-3-octanol

ChEBI IDCHEBI:84242
ChEBI Name3,7-dimethyl-3-octanol
Stars
DefinitionA fatty alcohol that is 3-octanol substituted by methyl groups at positions 3 and 7. Metabolite observed in cancer metabolism.
Last Modified25 October 2023
Submitternamrata
DownloadsMolfile
FormulaC10H22O
Net Charge0
Average Mass158.285
Monoisotopic Mass158.16707
SMILESCCC(C)(O)CCCC(C)C
InChIInChI=1S/C10H22O/c1-5-10(4,11)8-6-7-9(2)3/h9,11H,5-8H2,1-4H3
InChIKeyDLHQZZUEERVIGQ-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)
3,7-dimethyl-3-octanol (CHEBI:84242) has role human metabolite (CHEBI:77746)
3,7-dimethyl-3-octanol (CHEBI:84242) is a alkyl alcohol (CHEBI:50584)
3,7-dimethyl-3-octanol (CHEBI:84242) is a medium-chain fatty alcohol (CHEBI:197506)
3,7-dimethyl-3-octanol (CHEBI:84242) is a tertiary alcohol (CHEBI:26878)
IUPAC Names 
tetrahydrolinalool
3,7-dimethyloctan-3-ol
Registry NumbersSources
Reaxys:1719622Reaxys
CAS:78-69-3ChemIDplus
Citations