Metabolomics Structure Database

 
MW REGNO: 37097
Common Name:Glyceric acid
Systematic Name:(2R)-2,3-dihydroxypropanoic acid
Synonyms: [PubChem Synonyms]
Exact Mass:
106.0266 (neutral)    Calculate m/z:
Formula:C3H6O4
InChIKey:RBNPOMFGQQGHHO-UWTATZPHSA-N
ClassyFire superclass:Organic oxygen compounds [C0004603]
ClassyFire class:Organooxygen compounds [C0000323]
ClassyFire subclass:Carbohydrates and carbohydrate conjugates [C0000011]
ClassyFire direct parent:Sugar acids and derivatives [C0000215]
MoNA MS spectra:View MS spectra
NP-MRD NMR spectra:View NMR spectra
SMILES:OC[C@@H](O)C(O)=O
Studies:Available studies

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External database links:

PubChem CID:439194
CHEBI ID:32398
HMDB ID:HMDB0000139
KEGG ID:C00258
Chemspider ID:388334
METLIN ID:280
MetaCyc ID:GLYCERATE
NP-MRD ID(NMR):NP0001018

Calculated physicochemical properties (?):

Heavy Atoms: 7  
Rings: 0  
Aromatic Rings: 0  
Rotatable Bonds: 2  
van der Waals Molecular volume: 92.98 Å3 molecule-1  
Toplogical Polar Sufrace Area: 77.76 Å2 molecule-1  
Hydrogen Bond Donors: 3  
Hydrogen Bond Acceptors: 4  
logP: -1.00  
Molar Refractivity: 21.73  
Fraction sp3 Carbons: 0.67  
sp3 Carbons: 2  

Human Pathway links:

HMDB and KEGG pathways containing this metabolite

References

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

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