Metabolomics Structure Database

 
MW REGNO: 78720
Common Name:Asp-Cys
Systematic Name:L-Aspartyl-L-cysteine
RefMet Name:Asp-Cys
Synonyms:Aspartyl-cysteine [PubChem Synonyms]
Exact Mass:
236.0467 (neutral)    Calculate m/z:
Formula:C7H12N2O5S
InChIKey:FKBFDTRILNZGAI-IMJSIDKUSA-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:N[C@@H](CC(O)=O)C(=O)N[C@@H](CS)C(O)=O
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:53250267
CHEBI ID:157800
HMDB ID:HMDB0028750

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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