acrolein (CHEBI:15368)

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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

Average Mass

56.06326

Monoisotopic Mass

56.02621

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.

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

Last Modified

23 October 2015