Metabolomics Structure Database

 
MW REGNO: 78835
Common Name:His-Val
Systematic Name:L-Histidyl-L-valine
RefMet Name:His-Val
Synonyms:Histidyl-valine [PubChem Synonyms]
Exact Mass:
254.1379 (neutral)    Calculate m/z:
Formula:C11H18N4O3
InChIKey:VLDVBZICYBVQHB-IUCAKERBSA-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:CC(C)[C@@H](C(=O)O)NC(=O)[C@H](Cc1c[nH]cn1)N
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:7021871
CHEBI ID:74060
HMDB ID:HMDB0028898
Plant Metabolite Hub(Pmhub):MS000239291

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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