Metabolomics Structure Database

 
MW REGNO: 84992
Common Name:Pro-Thr-Thr
Systematic Name:L-Prolyl-L-threonyl-L-threonine
RefMet Name:Pro-Thr-Thr
Synonyms:Prolyl-threonyl-threonine [PubChem Synonyms]
Exact Mass:
317.1587 (neutral)    Calculate m/z:
Formula:C13H23N3O6
InChIKey:GZNYIXWOIUFLGO-ZJDVBMNYSA-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:Tripeptides
SMILES:C[C@H]([C@@H](C(=O)N[C@@H]([C@@H](C)O)C(=O)O)NC(=O)[C@@H]1CCCN1)O
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:145457598
CHEBI ID:162689

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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