Structure Database (LMSD)
Common Name
Crotonic acid
Systematic Name
2E-butenoic acid
Synonyms
- trans-2-butenoic acid
- C4:1n-2
3D model of Crotonic acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
Reactions
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Reactions are shown if the E.C. number of the enzyme catalysing it is annotated in the UniProt database for a species belonging to the selected taxonomic class.
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String Representations
InChiKey (Click to copy)
LDHQCZJRKDOVOX-NSCUHMNNSA-N
InChi (Click to copy)
InChI=1S/C4H6O2/c1-2-3-4(5)6/h2-3H,1H3,(H,5,6)/b3-2+
SMILES (Click to copy)
C(=C/C)\C(=O)O
Other Databases
Wikipedia
KEGG ID
HMDB ID
CHEBI ID
LIPIDBANK ID
DFA0042
PubChem CID
PDB ID
Calculated Physicochemical Properties
Heavy Atoms
6
Rings
0
Aromatic Rings
0
Rotatable Bonds
1
Van der Waals Molecular Volume
90.06
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
0.65
Molar Refractivity
22.45
Admin
Created at
-
Updated at
25th Apr 2022