Metabolomics Structure Database

MW REGNO: 53105
Common Name:D-4-hydroxy-2-oxoglutaric acid
Systematic Name:(2R)-2-hydroxy-4-oxopentanedioic acid
RefMet Name:4-Hydroxy-2-oxoglutaric acid
Synonyms:(R)-2-hydroxy-4-ketopentanedioic acid; (R)-2-hydroxy-4-oxopentanedioic acid; D-4-Hydroxy-2-oxoglutarate; D-4-hydroxy-2-ketoglutaric acid [PubChem Synonyms]
Exact Mass:
162.0164 (neutral)    Calculate m/z:
ClassyFire superclass:Organic acids and derivatives [C0000264]
ClassyFire class:Keto acids and derivatives [C0000389]
ClassyFire subclass:Gamma-keto acids and derivatives [C0001115]
ClassyFire direct parent:Gamma-keto acids and derivatives [C0001115]
Studies:Available studies (via RefMet name)

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Calculated physicochemical properties (?):

Heavy Atoms: 11  
Rings: 0  
Aromatic Rings: 0  
Rotatable Bonds: 4  
van der Waals Molecular volume: 139.88 Å3 molecule-1  
Toplogical Polar Sufrace Area: 111.90 Å2 molecule-1  
Hydrogen Bond Donors: 3  
Hydrogen Bond Acceptors: 6  
logP: -1.24  
Molar Refractivity: 31.41  
Fraction sp3 Carbons: 0.40  
sp3 Carbons: 2  


LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200
ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y