CHEBI:84235 - 2-butyl-1-octanol

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ChEBI Name 2-butyl-1-octanol
ChEBI ID CHEBI:84235
Definition A primary alcohol that is 1-octanol substituted by a butyl group at position 2. Metabolite observed in cancer metabolism.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C12H26O
Net Charge 0
Average Mass 186.33420
Monoisotopic Mass 186.19837
InChI InChI=1S/C12H26O/c1-3-5-7-8-10-12(11-13)9-6-4-2/h12-13H,3-11H2,1-2H3
InChIKey XMVBHZBLHNOQON-UHFFFAOYSA-N
SMILES CCCCCCC(CO)CCCC
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 2-butyl-1-octanol (CHEBI:84235) has parent hydride octane (CHEBI:17590)
2-butyl-1-octanol (CHEBI:84235) has role human metabolite (CHEBI:77746)
2-butyl-1-octanol (CHEBI:84235) is a alkyl alcohol (CHEBI:50584)
2-butyl-1-octanol (CHEBI:84235) is a medium-chain fatty alcohol (CHEBI:197506)
2-butyl-1-octanol (CHEBI:84235) is a primary alcohol (CHEBI:15734)
Incoming 2-butyloctyl hydrogen sulfate (CHEBI:155874) has functional parent 2-butyl-1-octanol (CHEBI:84235)
IUPAC Name
2-butyloctan-1-ol
Synonyms Sources
2-butyloctan-1-ol UniProt
2-butyloctanol ChemIDplus
2-butyloctyl alcohol ChemIDplus
5-(hydroxymethyl)undecane ChemIDplus
butyloctanol ChemIDplus
Manual Xref Database
HMDB0041288 HMDB
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Registry Numbers Types Sources
1738522 Reaxys Registry Number Reaxys
3913-02-8 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
18990492 PubMed citation Europe PMC
25351808 PubMed citation Europe PMC
25518943 PubMed citation Europe PMC
Last Modified
25 October 2023