Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	50964
Common Name:	(3R)-3-hydroxy-L-aspartic acid
Systematic Name:	(2S,3R)-2-amino-3-hydroxybutanedioic acid;(3R)-3-hydroxy-L-aspartic acid
Synonyms:	(2S,3R)-2-amino-3-hydroxysuccinic acid; (3R)-3-hydroxy-L-aspartic acid; erythro-3-hydroxy-L-aspartic acid; erythro-beta-hydroxy-L-aspartic acid [PubChem Synonyms]
Exact Mass:	149.0324 (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:	C4H7NO5
InChIKey:	YYLQUHNPNCGKJQ-NHYDCYSISA-N
ClassyFire superclass:	Organic acids and derivatives [C0000264]
ClassyFire class:	Carboxylic acids and derivatives [C0000265]
ClassyFire subclass:	Amino acids, peptides, and analogues [C0000013]
ClassyFire direct parent:	Aspartic acid and derivatives [C0004317]
MoNA MS spectra:	View MS spectra
SMILES:	[C@H]([C@H](C(=O)O)O)(C(=O)O)N
Studies:	Available studies(via PubChem CID)

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PubChem CID:	14463
CHEBI ID:	17576

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