Structure Database (LMSD)
Common Name
Oxoadipic acid
Systematic Name
2-oxo-hexanedioic acid
Synonyms
3D model of Oxoadipic 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
Biological Context
2-Oxoadipic acid is an intermediate in the catabolism of L-tryptophan, L-lysine, and hydroxylysine.1,2 Urinary excretion of 2-oxoadipic acid is increased in patients with α-ketoadipic aciduria, a rare inborn error in the metabolism of 2-oxoadipic acid to glutaryl-coenzyme A (glutaryl-CoA).
This information has been provided by Cayman Chemical
References
1. Xia, Z.-W., Inoue, Y., Ohse, M., et al. A study on α-ketoadipic aciduria by gas chromatographic-mass spectrometry. World J. Gastroenterol. 6(5), 766-769 (2000).
2. Gray, R.G., O'Neill, E.M., and Pollitt, R.J. α-aminoadipic aciduria: Chemical and enzymatic studies. J. Inherit. Metab. Dis. 2(4), 89-92 (1980).
String Representations
InChiKey (Click to copy)
FGSBNBBHOZHUBO-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C6H8O5/c7-4(6(10)11)2-1-3-5(8)9/h1-3H2,(H,8,9)(H,10,11)
SMILES (Click to copy)
C(=O)(O)C(=O)CCCC(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
11
Rings
0
Aromatic Rings
0
Rotatable Bonds
5
Van der Waals Molecular Volume
148.39
Topological Polar Surface Area
91.67
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
5
logP
-0.11
Molar Refractivity
34.13
Admin
Created at
-
Updated at
-