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
ClassyFire class:	Organooxygen compounds
ClassyFire subclass:	Carbohydrates and carbohydrate conjugates
ClassyFire direct parent:	Sugar acids and derivatives
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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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
NPClassifier classification: "NPClassifier: A Deep Neural Network-Based Structural Classification Tool for Natural Products", Kim HW, Wang M, Leber CA, Nothias LF, Reher R, Kang KB, van der Hooft JJJ, Dorrestein PC, Gerwick WH and Cottrell GW. J Nat Prod. 2021 Nov 26;84(11):2795-2807.DOI: 10.1021/acs.jnatprod.1c00399.