Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	53837
Common Name:	Erythro-4-hydroxy-L-glutamic acid
Systematic Name:	(4S)-4-hydroxy-L-glutamic acid
RefMet Name:	Erythro-4-hydroxy-glutamic acid
Synonyms:	(2S,4R)-2-amino-4-hydroxypentanedioic acid; L-erythro-4-hydroxyglutamic acid [PubChem Synonyms]
Exact Mass:	163.0481 (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:	C5H9NO5
InChIKey:	HBDWQSHEVMSFGY-STHAYSLISA-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:	Glutamic acid and derivatives [C0004323]
SMILES:	C([C@@H](C(=O)O)N)[C@H](C(=O)O)O
Studies:	Available studies (via RefMet name)

Select appropriate tab below to view additional details:

All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	440854
CHEBI ID:	21285
HMDB ID:	HMDB0002273
KEGG ID:	C03079
Plant Metabolite Hub(Pmhub):	MS000016156

Calculated physicochemical properties (?):

Heavy Atoms:	11
Rings:	0
Aromatic Rings:	0
Rotatable Bonds:	4
van der Waals Molecular volume:	144.73 Å3 molecule-1
Toplogical Polar Sufrace Area:	120.85 Å2 molecule-1
Hydrogen Bond Donors:	4
Hydrogen Bond Acceptors:	5
logP:	-1.19
Molar Refractivity:	34.89
Fraction sp3 Carbons:	0.60
sp3 Carbons:	3

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