Structure Database (LMSD)
Common Name
2-amino-3-oxo-hexanedioic acid
Systematic Name
2-amino-3-oxo-hexanedioic acid
Synonyms
- 2-Amino-3-oxohexanedioic acid
No other lipid differing only in stereochemistry/bond geometry found
3D model of 2-amino-3-oxo-hexanedioic 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
String Representations
InChiKey (Click to copy)
HXWZRYKURKEOSO-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C6H9NO5/c7-5(6(11)12)3(8)1-2-4(9)10/h5H,1-2,7H2,(H,9,10)(H,11,12)
SMILES (Click to copy)
OC(=O)C(N)C(=O)CCC(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
12
Rings
0
Aromatic Rings
0
Rotatable Bonds
5
Van der Waals Molecular Volume
159.39
Topological Polar Surface Area
117.69
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
5
logP
-0.88
Molar Refractivity
38.00
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Created at
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Updated at
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