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CHEBI:17935 - octanal

Default Structure
ChEBI IDCHEBI:17935
ChEBI Nameoctanal
Stars
DefinitionA saturated fatty aldehyde formally arising from reduction of the carboxy group of caprylic acid (octanoic acid).
Secondary ChEBI IDsCHEBI:659, CHEBI:11268, CHEBI:25641
Last Modified4 March 2019
DownloadsMolfile
FormulaC8H16O
Net Charge0
Average Mass128.215
Monoisotopic Mass128.12012
SMILES[H]C(=O)CCCCCCC
InChIInChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h8H,2-7H2,1H3
InChIKeyNUJGJRNETVAIRJ-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Role:
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)
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  Source
1-CaprylaldehydeKEGG COMPOUND
1-OctaldehydeKEGG COMPOUND
1-OctanalKEGG COMPOUND
1-OctylaldehydeKEGG COMPOUND
aldehyde C-8ChemIDplus
C-8 aldehydeNIST Chemistry WebBook
UniProt Name  Source
octanalUniProt
Manual XrefsDatabases
1387BPDB
C00030880KNApSAcK
c0046UM-BBD
C01545KEGG COMPOUND
CPD-371MetaCyc
HMDB0001140HMDB
LMFA06000028LIPID MAPS
OctanalWikipedia
OYAPDBeChem
US2012164085Patent
Registry NumbersSources
Gmelin:101464Gmelin
Reaxys:1744086Reaxys
CAS:124-13-0KEGG COMPOUND
CAS:124-13-0NIST Chemistry WebBook
CAS:124-13-0ChemIDplus
Citations