Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
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
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
more structures >>
Molfile
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
(2
E
)-but-2-enal
Synonyms
Sources
(2
E
)-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
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