Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	44921
Common Name:	D-Malic acid
Systematic Name:	(2R)-2-hydroxybutanedioic acid
RefMet Name:	D-Malic acid
Synonyms:	[PubChem Synonyms]
Exact Mass:	134.0215 (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:	C4H6O5
InChIKey:	BJEPYKJPYRNKOW-UWTATZPHSA-N
ClassyFire superclass:	Organic acids and derivatives [C0000264]
ClassyFire class:	Hydroxy acids and derivatives [C0000472]
ClassyFire subclass:	Beta hydroxy acids and derivatives [C0001713]
ClassyFire direct parent:	Beta hydroxy acids and derivatives [C0001713]
MoNA MS spectra:	View MS spectra
SMILES:	C([C@H](C(=O)O)O)C(=O)O
Studies:	Available studies (via RefMet name)

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External database links:

PubChem CID:	92824
CHEBI ID:	30796
HMDB ID:	HMDB0031518
KEGG ID:	C00497
Chemspider ID:	83793
MetaCyc ID:	CPD-660

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