Structure Database (LMSD)
Common Name
Acetoacetic acid
Systematic Name
3-oxo-butanoic acid
Synonyms
- beta-ketobutyric acid
No other lipid differing only in stereochemistry/bond geometry found
3D model of Acetoacetic acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
WDJHALXBUFZDSR-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C4H6O3/c1-3(5)2-4(6)7/h2H2,1H3,(H,6,7)
SMILES (Click to copy)
CC(=O)CC(=O)O
References
Other Databases
Wikipedia
KEGG ID
HMDB ID
CHEBI ID
LIPIDBANK ID
DFA0387
PubChem CID
SwissLipids ID
PDB ID
Calculated Physicochemical Properties
Heavy Atoms
7
Rings
0
Aromatic Rings
0
Rotatable Bonds
2
Van der Waals Molecular Volume
98.85
Topological Polar Surface Area
54.37
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
0.05
Molar Refractivity
22.93
Admin
Created at
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Updated at
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