CHEBI:17935 - octanal

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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
Supplier Information
Download Molfile XML SDF
more structures >>
Wikipedia License
Waiting for wikipedia content
Read full article at Wikipedia
Formula C8H16O
Net Charge 0
Average Mass 128.21200
Monoisotopic Mass 128.120
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 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 Waiting for Citations Types Sources
24001856 PubMed citation Europe PMC
24130214 PubMed citation Europe PMC
24295708 PubMed citation Europe PMC
Last Modified
16 June 2017