Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	50215
Common Name:	Meso-tartaric acid
Systematic Name:	(2R,3S)-2,3-dihydroxybutanedioic acid
RefMet Name:	Meso-tartaric acid
Synonyms:	(2R,3S)-2,3-dihydroxysuccinic acid; (2R,3S)-rel-2,3-dihydroxybutanedioic acid; (2R,3S)-tartaric acid; (R*,S*)-2,3-dihydroxybutanedioic acid; Mesoweinsaeure; erythraric acid; internally compensated tartaric acid; meso-tartaric acid; mesotartaric acid; unresolvable tartaric acid [PubChem Synonyms]
Exact Mass:	150.0164 (neutral)    Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M-H+2K]+ [M+Na]+ [M+2Na]2+ [M-H+2Na]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M-H]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+HCOO]- M(neutral)
Formula:	C4H6O6
InChIKey:	FEWJPZIEWOKRBE-XIXRPRMCSA-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:	[C@H]([C@H](C(=O)O)O)(C(=O)O)O
Studies:	Available studies (via RefMet name)

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PubChem CID:	447315
CHEBI ID:	15673
NP-MRD ID(NMR):	NP0002638

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