Structure Database (LMSD)
Common Name
Butyric acid
Systematic Name
Butanoic acid
Synonyms
- Butanoate
- C4:0
- Ethylacetic acid
3D model of Butyric 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.
Click on an edge to display the reaction(s).
String Representations
InChiKey (Click to copy)
FERIUCNNQQJTOY-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)
SMILES (Click to copy)
CCCC(=O)O
Other Databases
Wikipedia
KEGG ID
HMDB ID
CHEBI ID
LIPIDBANK ID
DFA0004
PubChem CID
PlantFA ID
SwissLipids ID
PDB ID
GuidePharm ID
Calculated Physicochemical Properties
Heavy Atoms
6
Rings
0
Aromatic Rings
0
Rotatable Bonds
2
Van der Waals Molecular Volume
92.70
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
0.87
Molar Refractivity
22.54
Admin
Created at
-
Updated at
25th Apr 2022