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CHEBI:15368 - acrolein

ChEBI IDCHEBI:15368
ChEBI Nameacrolein
Stars
DefinitionAn enal that is prop-2-ene with an oxo group at position 1.
Secondary ChEBI IDsCHEBI:2434, CHEBI:13720, CHEBI:22214
Last Modified23 October 2015
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC3H4O
Net Charge0
Average Mass56.064
Monoisotopic Mass56.02621
SMILES[H]C(=C)C([H])=O
InChIInChI=1S/C3H4O/c1-2-3-4/h2-3H,1H2
InChIKeyHGINCPLSRVDWNT-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Roles:
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
toxin  Poisonous substance produced by a biological organism such as a microbe, animal or plant.
Application:
herbicide  A substance used to destroy plant pests.
ChEBI Ontology
Outgoing Relation(s)
acrolein (CHEBI:15368) has role herbicide (CHEBI:24527)
acrolein (CHEBI:15368) has role human xenobiotic metabolite (CHEBI:76967)
acrolein (CHEBI:15368) has role toxin (CHEBI:27026)
acrolein (CHEBI:15368) is a enal (CHEBI:51688)
Incoming Relation(s)
2-(2,2,3-trimethylcyclopent-3-enyl)acrylaldehyde (CHEBI:48713) has functional parent acrolein (CHEBI:15368)
IUPAC Name 
acrylaldehyde
Synonyms  Source
AcroleinKEGG COMPOUND
AcrylaldehydeKEGG COMPOUND
Acrylic aldehydeKEGG COMPOUND
PropenalKEGG COMPOUND
UniProt Name  Source
acroleinUniProt
Manual XrefsDatabases
C01471KEGG COMPOUND
C01471KEGG COMPOUND
AcroleinWikipedia
HMDB0041822HMDB
ACROLEINMetaCyc
1016PPDB
Registry NumbersSources
Reaxys:741856Reaxys
CAS:107-02-8KEGG COMPOUND
Citations