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.
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
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.
Application:
fuel additive  Any additive that enhances the efficiency of fuel.
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