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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:17935 - octanal
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ChEBI Name
octanal
ChEBI ID
CHEBI:17935
Definition
A saturated fatty aldehyde formally arising from reduction of the carboxy group of caprylic acid (octanoic acid).
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:11268, CHEBI:659, CHEBI:25641
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Formula
C8H16O
Net Charge
0
Average Mass
128.21200
Monoisotopic Mass
128.12012
InChI
InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h8H,2-7H2,1H3
InChIKey
NUJGJRNETVAIRJ-UHFFFAOYSA-N
SMILES
CCCCCCCC=O
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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
octanal (
CHEBI:17935
)
has role
plant metabolite (
CHEBI:76924
)
octanal (
CHEBI:17935
)
is a
n
-alkanal (
CHEBI:12834
)
octanal (
CHEBI:17935
)
is a
medium-chain fatty aldehyde (
CHEBI:142621
)
octanal (
CHEBI:17935
)
is a
saturated fatty aldehyde (
CHEBI:133249
)
IUPAC Name
octanal
Synonyms
Sources
1-Caprylaldehyde
KEGG COMPOUND
1-Octaldehyde
KEGG COMPOUND
1-Octanal
KEGG COMPOUND
1-Octylaldehyde
KEGG COMPOUND
aldehyde C-8
ChemIDplus
C-8 aldehyde
NIST Chemistry WebBook
Caprylaldehyd
ChEBI
caprylaldehyde
LIPID MAPS
caprylic aldehyde
ChemIDplus
Kaprylaldehyd
ChEBI
n
-caprylaldehyde
NIST Chemistry WebBook
n
-octaldehyde
ChemIDplus
n
-octanal
ChemIDplus
n
-octyl aldehyde
NIST Chemistry WebBook
n
-octylal
ChemIDplus
octan-1-al
ChEBI
octanal
UniProt
octanaldehyde
NIST Chemistry WebBook
octanoic aldehyde
NIST Chemistry WebBook
Octylaldehyd
ChEBI
octylaldehyde
NIST Chemistry WebBook
Oktanal
ChEBI
Oktylaldehyd
ChEBI
Manual Xrefs
Databases
1387
BPDB
C00030880
KNApSAcK
c0046
UM-BBD
C01545
KEGG COMPOUND
CPD-371
MetaCyc
HMDB0001140
HMDB
LMFA06000028
LIPID MAPS
Octanal
Wikipedia
OYA
PDBeChem
US2012164085
Patent
View more database links
Registry Numbers
Types
Sources
101464
Gmelin Registry Number
Gmelin
124-13-0
CAS Registry Number
ChemIDplus
124-13-0
CAS Registry Number
NIST Chemistry WebBook
1744086
Reaxys Registry Number
Reaxys
1744086
Beilstein Registry Number
ChemIDplus
Citations
Types
Sources
24001856
PubMed citation
Europe PMC
24130214
PubMed citation
Europe PMC
24295708
PubMed citation
Europe PMC
Last Modified
04 March 2019