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CHEBI:84235 - 2-butyl-1-octanol

ChEBI IDCHEBI:84235
ChEBI Name2-butyl-1-octanol
Stars
DefinitionA primary alcohol that is 1-octanol substituted by a butyl group at position 2. Metabolite observed in cancer metabolism.
Last Modified25 October 2023
Submitternamrata
DownloadsMolfile
FormulaC12H26O
Net Charge0
Average Mass186.339
Monoisotopic Mass186.19837
SMILESCCCCCCC(CO)CCCC
InChIInChI=1S/C12H26O/c1-3-5-7-8-10-12(11-13)9-6-4-2/h12-13H,3-11H2,1-2H3
InChIKeyXMVBHZBLHNOQON-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)
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 Relation(s)
2-butyloctyl hydrogen sulfate (CHEBI:155874) has functional parent 2-butyl-1-octanol (CHEBI:84235)
IUPAC Name 
2-butyloctan-1-ol
Synonyms  Source
2-butyloctyl alcoholChemIDplus
2-butyloctanolChemIDplus
butyloctanolChemIDplus
5-(hydroxymethyl)undecaneChemIDplus
UniProt Name  Source
2-butyloctan-1-olUniProt
Manual XrefsDatabases
HMDB0041288HMDB
Registry NumbersSources
Reaxys:1738522Reaxys
CAS:3913-02-8ChemIDplus
Citations