Metabolomics Structure Database

 
Created with Raphaƫl 2.1.0NH2NHNHOOOOHNNHOHNNH
MW REGNO: 82584
Common Name:His-Thr-His
Systematic Name:L-Histidyl-L-threonyl-L-histidine
RefMet Name:His-Thr-His
Synonyms:Histidyl-threonyl-histidine [PubChem Synonyms]
Exact Mass:
393.1761 (neutral)    Calculate m/z:
Formula:C16H23N7O5
InChIKey:IXQGOKWTQPCIQM-YJRXYDGGSA-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](Cc1c[nH]cn1)C(=O)O)NC(=O)[C@H](Cc1c[nH]cn1)N)O
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:145455973
CHEBI ID:157983

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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