CHEBI:16188 - octan-1-ol

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ChEBI Name octan-1-ol
ChEBI ID CHEBI:16188
Definition An octanol carrying the hydroxy group at position 1.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:44579, CHEBI:11269, CHEBI:660, CHEBI:25642, CHEBI:25643
Supplier Information
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Formula C8H18O
Net Charge 0
Average Mass 130.22792
Monoisotopic Mass 130.136
InChI InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3
InChIKey KBPLFHHGFOOTCA-UHFFFAOYSA-N
SMILES CCCCCCCCO
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
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ChEBI Ontology
Outgoing octan-1-ol (CHEBI:16188) has role plant metabolite (CHEBI:76924)
octan-1-ol (CHEBI:16188) is a octanol (CHEBI:37868)
octan-1-ol (CHEBI:16188) is a primary alcohol (CHEBI:15734)
Incoming monooctyl phthalate (CHEBI:132583) has functional parent octan-1-ol (CHEBI:16188)
octyl acetate (CHEBI:87495) has functional parent octan-1-ol (CHEBI:16188)
octyl formate (CHEBI:87496) has functional parent octan-1-ol (CHEBI:16188)
octyl hydrogen sulfate (CHEBI:83122) has functional parent octan-1-ol (CHEBI:16188)
octyl palmitate (CHEBI:84059) has functional parent octan-1-ol (CHEBI:16188)
IUPAC Name
octan-1-ol
Synonyms Sources
1-hydroxyoctane ChemIDplus
1-Octanol KEGG COMPOUND
1-octanol UniProt
1-Oktanol ChEBI
capryl alcohol NIST Chemistry WebBook
caprylic alcohol ChemIDplus
n-heptyl carbinol NIST Chemistry WebBook
n-octan-1-ol NIST Chemistry WebBook
OCTAN-1-OL PDBeChem
primary octyl alcohol NIST Chemistry WebBook
Manual Xrefs Databases
C00001264 KNApSAcK
c0045 UM-BBD
C00756 KEGG COMPOUND
OC9 PDBeChem
View more database links
Registry Numbers Types Sources
111-87-5 CAS Registry Number NIST Chemistry WebBook
111-87-5 CAS Registry Number ChemIDplus
1697461 Beilstein Registry Number Beilstein
1697461 Reaxys Registry Number Reaxys
82528 Gmelin Registry Number Gmelin
Citations Waiting for Citations Types Sources
21485271 PubMed citation Europe PMC
24290301 PubMed citation Europe PMC
Last Modified
15 July 2016