Metabolomics Structure Database

 
MW REGNO: 78507
Common Name:N-Methyl-L-proline
Systematic Name:(2S)-1-methylpyrrolidine-2-carboxylic acid
RefMet Name:N-Methyl-proline
Synonyms:N-methyl proline [PubChem Synonyms]
Exact Mass:
129.0790 (neutral)    Calculate m/z:
Formula:C6H11NO2
InChIKey:CWLQUGTUXBXTLF-YFKPBYRVSA-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:Amino acids and derivatives [C0000347]
SMILES:CN1CCC[C@H]1C(=O)O
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:643474
CHEBI ID:90344
HMDB ID:HMDB0094696
EPA CompTox DB:DTXCID50875927
Plant Metabolite Hub(Pmhub):MS000007666

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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