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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:15368 - acrolein
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ChEBI Ontology
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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
Supplier Information
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Formula
C3H4O
Net Charge
0
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.
View more via ChEBI Ontology
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
Manual Xrefs
Databases
1016
PPDB
Acrolein
Wikipedia
ACROLEIN
MetaCyc
C01471
KEGG COMPOUND
HMDB0041822
HMDB
View more database links
Registry Numbers
Types
Sources
107-02-8
CAS Registry Number
KEGG COMPOUND
741856
Reaxys Registry Number
Reaxys
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