Metabolomics Structure Database

 
MW REGNO: 204181
Common Name:N-Lactoyl threonine
RefMet Name:N-Lactoyl threonine
Synonyms: [PubChem Synonyms]
Exact Mass:
191.0794 (neutral)    Calculate m/z:
Formula:C7H13NO5
InChIKey:NJAJXYAOBCLWCP-WISUUJSJSA-N
ClassyFire superclass:Organic acids and derivatives
ClassyFire class:Carboxylic acids and derivatives
ClassyFire subclass:Amino acids, peptides, and analogues
SMILES:C[C@H]([C@@H](C(=O)O)NC(=O)[C@H](C)O)O
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:171117876

Calculated physicochemical properties:

No data available

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

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