CHEBI:15368 - acrolein

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ChEBI Name acrolein
ChEBI ID CHEBI:15368
Definition An enal that is prop-2-ene with an oxo group at position 1.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:2434, CHEBI:13720, CHEBI:22214
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Formula C3H4O
Net Charge 0
Average Mass 56.06326
Monoisotopic Mass 56.026
InChI InChI=1S/C3H4O/c1-2-3-4/h2-3H,1H2
InChIKey HGINCPLSRVDWNT-UHFFFAOYSA-N
SMILES [H]C(=C)C([H])=O
Roles Classification
Biological Role(s): toxin
Poisonous substance produced by a biological organism such as a microbe, animal or plant.
human xenobiotic metabolite
Any human metabolite produced by metabolism of a xenobiotic compound in humans.
Application(s): herbicide
A substance used to destroy plant pests.
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ChEBI Ontology
Outgoing 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 2-(2,2,3-trimethylcyclopent-3-enyl)acrylaldehyde (CHEBI:48713) has functional parent acrolein (CHEBI:15368)
IUPAC Name
acrylaldehyde
Synonyms Sources
Acrolein KEGG COMPOUND
acrolein UniProt
Acrylaldehyde KEGG COMPOUND
Acrylic aldehyde KEGG COMPOUND
Propenal KEGG COMPOUND
Database Links Databases
Acrolein Wikipedia
ACROLEIN MetaCyc
C01471 KEGG COMPOUND
HMDB41822 HMDB
View more database links
Registry Numbers Types Sources
107-02-8 CAS Registry Number KEGG COMPOUND
741856 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
11888018 PubMed citation Europe PMC
16725382 PubMed citation Europe PMC
18023956 PubMed citation Europe PMC
18234483 PubMed citation Europe PMC
18686065 PubMed citation Europe PMC
18823586 PubMed citation Europe PMC
Last Modified
23 October 2015