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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
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.
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This entity has been manually annotated by the ChEBI Team.
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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
View more database links
Registry Numbers
Types
Sources
1738522
Reaxys Registry Number
Reaxys
3913-02-8
CAS Registry Number
ChemIDplus
Citations
Types
Sources
18990492
PubMed citation
Europe PMC
25351808
PubMed citation
Europe PMC
25518943
PubMed citation
Europe PMC
Last Modified
25 October 2023