CHEBI:16188 - octan-1-ol

ChEBI IDCHEBI:16188
ChEBI Nameoctan-1-ol
Stars
DefinitionAn octanol carrying the hydroxy group at position 1.
Secondary ChEBI IDsCHEBI:660, CHEBI:11269, CHEBI:25642, CHEBI:25643, CHEBI:44579
Last Modified25 October 2023
DownloadsMolfile
FormulaC8H18O
Net Charge0
Average Mass130.231
Monoisotopic Mass130.13577
SMILESCCCCCCCCO
InChIInChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3
InChIKeyKBPLFHHGFOOTCA-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Escherichia coli (ncbitaxon:562) - PubMed (32707169)
Homo sapiens (ncbitaxon:9606)
urine (BTO:0001419) PubMed (22284503)
faeces (UBERON:0001988) PubMed (17314143)
Oecophylla smaragdina (ncbitaxon:84561) - PubMed (36130986)
Synechocystis sp. PCC 6803 (ncbitaxon:1148) - PubMed (34003632)
Roles Classification
Chemical Role:
fuel additive  Any additive that enhances the efficiency of fuel.
Biological Roles:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
antifungal agent  An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
kairomone  A semiochemical used for inter-species chemical communication in a way that benefits an individual of another species that receives the chemical signal.
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
octan-1-ol (CHEBI:16188) has role antifungal agent (CHEBI:35718)
octan-1-ol (CHEBI:16188) has role bacterial metabolite (CHEBI:76969)
octan-1-ol (CHEBI:16188) has role fuel additive (CHEBI:62803)
octan-1-ol (CHEBI:16188) has role kairomone (CHEBI:83074)
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 Relation(s)
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 benzoate (CHEBI:156236) 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  Source
1-hydroxyoctaneChemIDplus
1-OctanolKEGG COMPOUND
1-OktanolChEBI
capryl alcoholNIST Chemistry WebBook
caprylic alcoholChemIDplus
n-heptyl carbinolNIST Chemistry WebBook
UniProt Name  Source
octan-1-olUniProt
Manual XrefsDatabases
C00001264KNApSAcK
c0045UM-BBD
C00756KEGG COMPOUND
OC9PDBeChem
Registry NumbersSources
Reaxys:1697461Reaxys
Gmelin:82528Gmelin
CAS:111-87-5NIST Chemistry WebBook
CAS:111-87-5ChemIDplus
CAS:111-87-5KEGG COMPOUND
Citations