Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	56602
Common Name:	L-thioproline
Systematic Name:	(4R)-1,3-thiazolidine-4-carboxylic acid
RefMet Name:	Thioproline
Synonyms:	(4R)-4-Thiazolidinecarboxylic acid; (R)-(-)-4-Thiazolidinecarboxylic acid; (R)-4-Thiazolidinecarboxylic acid; 4-thiaproline; L-Thiazolidine-4-carboxylic acid; L-thiaproline; THIOPROLINE; Thiazolidinecarboxylic acid; gamma-thioproline [PubChem Synonyms]
Exact Mass:	133.0197 (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:	C4H7NO2S
InChIKey:	DZLNHFMRPBPULJ-VKHMYHEASA-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:	Alpha amino acids [C0002404]
MoNA MS spectra:	View MS spectra
SMILES:	C1[C@@H](C(=O)O)NCS1
Studies:	Available studies (via RefMet name)

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External database links:

PubChem CID:	93176
CHEBI ID:	45171
HMDB ID:	HMDB0062164

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