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InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
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ChEBI
> Main
CHEBI:16188 - octan-1-ol
Main
ChEBI Ontology
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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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Molfile
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Formula
C8H18O
Net Charge
0
Average Mass
130.22792
Monoisotopic Mass
130.13577
InChI
InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3
InChIKey
KBPLFHHGFOOTCA-UHFFFAOYSA-N
SMILES
CCCCCCCCO
Metabolite of Species
Details
Synechocystis
sp.
PCC 6803
(NCBI:txid1148)
See:
PubMed
Escherichia coli
(NCBI:txid562)
See:
PubMed
Oecophylla smaragdina
(NCBI:txid84561)
See:
PubMed
Homo sapiens
(NCBI:txid9606)
Found in urine
(BTO:0001419)
. See:
PubMed
Homo sapiens
(NCBI:txid9606)
Found in faeces
(UBERON:0001988)
. See:
PubMed
Roles Classification
Chemical Role
(s):
fuel additive
Any additive that enhances the efficiency of fuel.
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.
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.
bacterial metabolite
Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
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
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
Sources
1-hydroxyoctane
ChemIDplus
1-Octanol
KEGG COMPOUND
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
octan-1-ol
UniProt
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
Reaxys Registry Number
Reaxys
82528
Gmelin Registry Number
Gmelin
Citations
Types
Sources
19846748
PubMed citation
Europe PMC
20954704
PubMed citation
Europe PMC
21485271
PubMed citation
Europe PMC
24290301
PubMed citation
Europe PMC
29881455
PubMed citation
Europe PMC
32707169
PubMed citation
Europe PMC
33099596
PubMed citation
Europe PMC
33531600
PubMed citation
Europe PMC
34003632
PubMed citation
Europe PMC
35071860
PubMed citation
Europe PMC
35779097
PubMed citation
Europe PMC
35985434
PubMed citation
Europe PMC
36130986
PubMed citation
Europe PMC
36171735
PubMed citation
Europe PMC
Last Modified
25 October 2023