Metabolomics Structure Database

 
MW REGNO: 78831
Common Name:His-Ser
Systematic Name:L-Histidyl-L-serine
RefMet Name:His-Ser
Synonyms:Histidyl-serine [PubChem Synonyms]
Exact Mass:
242.1015 (neutral)    Calculate m/z:
Formula:C9H14N4O4
InChIKey:KRBMQYPTDYSENE-BQBZGAKWSA-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:Dipeptides [C0004830]
SMILES:C(c1c[nH]cn1)[C@@H](C(=O)N[C@@H](CO)C(=O)O)N
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:6992830
CHEBI ID:74056
HMDB ID:HMDB0028894
EPA CompTox DB:DTXCID00963924
Plant Metabolite Hub(Pmhub):MS000010285

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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