CHEBI:41607 - crotonaldehyde

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name crotonaldehyde
ChEBI ID CHEBI:41607
Definition An enal consisting of propene having a formyl group at the 1-position.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
more structures >>
Formula C4H6O
Net Charge 0
Average Mass 70.08980
Monoisotopic Mass 70.04186
InChI InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+
InChIKey MLUCVPSAIODCQM-NSCUHMNNSA-N
SMILES [H]C(=O)\C=C\C
ChEBI Ontology
Outgoing crotonaldehyde (CHEBI:41607) is a enal (CHEBI:51688)
Incoming S-(4-oxobutan-2-yl)glutathione (CHEBI:133880) has functional parent crotonaldehyde (CHEBI:41607)
IUPAC Name
(2E)-but-2-enal
Synonyms Sources
(2E)-but-2-enal UniProt
(2E)-BUT-2-ENAL PDBeChem
(E)-crotonaldehyde ChEBI
1-formylpropene ChemIDplus
2-Butenal KEGG COMPOUND
aldehyde crotonique ChemIDplus
β-methylacrolein ChemIDplus
crotonal ChemIDplus
crotonic aldehyde ChemIDplus
crotylaldehyde ChemIDplus
methylpropenal ChemIDplus
propylene aldehyde ChemIDplus
trans-2-butenal ChemIDplus
trans-2-butenaldehyde ChemIDplus
trans-but-2-enal ChEBI
trans-crotonaldehyde ChEBI
Manual Xrefs Databases
C19377 KEGG COMPOUND
CRD PDBeChem
View more database links
Registry Numbers Types Sources
1209254 Reaxys Registry Number Reaxys
123-73-9 CAS Registry Number ChemIDplus
4170-30-3 CAS Registry Number KEGG COMPOUND
Citations Waiting for Citations Types Sources
20153411 PubMed citation Europe PMC
20672270 PubMed citation Europe PMC
20736172 PubMed citation Europe PMC
21238556 PubMed citation Europe PMC
21306579 PubMed citation Europe PMC
Last Modified
25 September 2023