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 Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search 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: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). 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 medium-chain fatty alcohol (CHEBI:197506) 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 Type Source 25518943 PubMed citation Europe PMC Last Modified 25 October 2023