Metabolomics Structure Database

 
MW REGNO: 82750
Common Name:Ile-Cys-Pro
Systematic Name:L-Isoleucyl-L-cysteinyl-L-proline
RefMet Name:Ile-Cys-Pro
Synonyms:Isoleucyl-cysteinyl-proline [PubChem Synonyms]
Exact Mass:
331.1566 (neutral)    Calculate m/z:
Formula:C14H25N3O4S
InChIKey:WEWCEPOYKANMGZ-MMWGEVLESA-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](CC)[C@H](N)C(=O)N[C@@H](CS)C(=O)N1CCC[C@@H]1C(O)=O
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:145456105
CHEBI ID:158316

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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