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CHEBI:27836 - dodecanal

ChEBI IDCHEBI:27836
ChEBI Namedodecanal
Stars
DefinitionA long-chain fatty aldehyde that is dodecane in which two hydrogens attached to a terminal carbon are replaced by an oxo group.
Secondary ChEBI IDsCHEBI:4679, CHEBI:23873, CHEBI:84068
Last Modified4 March 2019
Submitterabridge
DownloadsMolfile
FormulaC12H24O
Net Charge0
Average Mass184.323
Monoisotopic Mass184.18272
SMILES[H]C(=O)CCCCCCCCCCC
InChIInChI=1S/C12H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h12H,2-11H2,1H3
InChIKeyHFJRKMMYBMWEAD-UHFFFAOYSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Coriandrum sativum (ncbitaxon:4047) - PubMed (25577087)
Persicaria minor (ncbitaxon:488003) - PubMed (25420073)
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)
dodecanal (CHEBI:27836) has parent hydride dodecane (CHEBI:28817)
dodecanal (CHEBI:27836) has role plant metabolite (CHEBI:76924)
dodecanal (CHEBI:27836) is a 2,3-saturated fatty aldehyde (CHEBI:84587)
dodecanal (CHEBI:27836) is a long-chain fatty aldehyde (CHEBI:17176)
dodecanal (CHEBI:27836) is a medium-chain fatty aldehyde (CHEBI:142621)
IUPAC Name 
lauraldehyde
Synonyms  Source
LaurylaldehydeSUBMITTER
lauryl aldehydeChemIDplus
n-dodecylic aldehydeNIST Chemistry WebBook
n-dodecanalNIST Chemistry WebBook
lauric aldehydeChemIDplus
n-dodecyl aldehydeNIST Chemistry WebBook
UniProt Name  Source
dodecanalUniProt
Manual XrefsDatabases
C00030644KNApSAcK
LMFA06000071LIPID MAPS
C02278KEGG COMPOUND
HMDB0033933HMDB
CPD-7880MetaCyc
DodecanalWikipedia
Registry NumbersSources
Reaxys:1703917Reaxys
CAS:112-54-9KEGG COMPOUND
CAS:112-54-9ChemIDplus
Citations