CHEBI:31457 - decanal

ChEBI IDCHEBI:31457
ChEBI Namedecanal
Stars
DefinitionA saturated fatty aldehyde formally arising from reduction of the carboxy group of capric acid (decanoic acid).
Last Modified23 August 2019
DownloadsMolfile
FormulaC10H20O
Net Charge0
Average Mass156.269
Monoisotopic Mass156.15142
SMILES[H]C(=O)CCCCCCCCC
InChIInChI=1S/C10H20O/c1-2-3-4-5-6-7-8-9-10-11/h10H,2-9H2,1H3
InChIKeyKSMVZQYAVGTKIV-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Roles:
antifungal agent  An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Application:
fragrance  A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell.
ChEBI Ontology
Outgoing Relation(s)
decanal (CHEBI:31457) has role antifungal agent (CHEBI:35718)
decanal (CHEBI:31457) has role fragrance (CHEBI:48318)
decanal (CHEBI:31457) has role plant metabolite (CHEBI:76924)
decanal (CHEBI:31457) is a n-alkanal (CHEBI:12834)
decanal (CHEBI:31457) is a medium-chain fatty aldehyde (CHEBI:142621)
decanal (CHEBI:31457) is a saturated fatty aldehyde (CHEBI:133249)
IUPAC Name 
decanal
Synonyms  Source
DecanalKEGG COMPOUND
1-DecanalKEGG COMPOUND
decanaldehydeChemIDplus
n-decaldehydeNIST Chemistry WebBook
n-decanalNIST Chemistry WebBook
n-decyl aldehydeNIST Chemistry WebBook
UniProt Name  Source
decanalUniProt
Manual XrefsDatabases
C12307KEGG COMPOUND
LMFA06000052LIPID MAPS
DecanalWikipedia
JP2002146386Patent
CPD-8490MetaCyc
HMDB0011623HMDB
C00030804KNApSAcK
C00030099KNApSAcK
Registry NumbersSources
Gmelin:218612Gmelin
Reaxys:1362530Reaxys
CAS:112-31-2KEGG COMPOUND
CAS:112-31-2ChemIDplus
CAS:112-31-2NIST Chemistry WebBook
Citations