Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	37332
Common Name:	Erythronic acid
Systematic Name:	(2R,3R)-2,3,4-trihydroxybutanoic acid
RefMet Name:	Erythronic acid
Synonyms:	[PubChem Synonyms]
Exact Mass:	136.0372 (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:	C4H8O5
InChIKey:	JPIJQSOTBSSVTP-PWNYCUMCSA-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
SMILES:	C([C@H]([C@H](C(=O)O)O)O)O
Studies:	Available studies (via RefMet name)

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External database links:

PubChem CID:	2781043
CHEBI ID:	37655
HMDB ID:	HMDB0000613
Chemspider ID:	2061231
METLIN ID:	5586
Plant Metabolite Hub(Pmhub):	MS000000938

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