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

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ChEBI Name 3,7-dimethyl-3-octanol
ChEBI ID CHEBI:84242
Definition A fatty alcohol that is 3-octanol substituted by methyl groups at positions 3 and 7. Metabolite observed in cancer metabolism.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C10H22O
Net Charge 0
Average Mass 158.28110
Monoisotopic Mass 158.16707
InChI InChI=1S/C10H22O/c1-5-10(4,11)8-6-7-9(2)3/h9,11H,5-8H2,1-4H3
InChIKey DLHQZZUEERVIGQ-UHFFFAOYSA-N
SMILES CCC(C)(O)CCCC(C)C
Metabolite of Species Details
Homo sapiens (NCBI:txidtxid9606) Metabolite observed in cancer metabolism. See: PubMed
Homo sapiens (NCBI:txidtxid9606) See: MetaboLights Study
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 fatty alcohol (CHEBI:24026)
3,7-dimethyl-3-octanol (CHEBI:84242) is a tertiary alcohol (CHEBI:26878)
IUPAC Names
3,7-dimethyloctan-3-ol
tetrahydrolinalool
Registry Numbers Types Sources
1719622 Reaxys Registry Number Reaxys
78-69-3 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
25518943 PubMed citation Europe PMC
Last Modified
14 January 2015