Metabolomics Structure Database

 
MW REGNO: 71493
Common Name:MALONATE
Systematic Name:disodium;malonate
Synonyms: [PubChem Synonyms]
Exact Mass:
147.9750 (neutral)    Calculate m/z:
Formula:C3H2Na2O4
InChIKey:PRWXGRGLHYDWPS-UHFFFAOYSA-L
ClassyFire superclass:Organic acids and derivatives [C0000264]
ClassyFire class:Carboxylic acids and derivatives [C0000265]
ClassyFire subclass:Dicarboxylic acids and derivatives [C0000346]
ClassyFire direct parent:Dicarboxylic acids and derivatives [C0000346]
MoNA MS spectra:View MS spectra
SMILES:C(C(=O)[O-])C(=O)[O-].[Na+].[Na+]
Studies:-

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External database links:

PubChem CID:8865

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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