Metabolomics Structure Database

 
MW REGNO: 37110
Common Name:L-Proline
Systematic Name:(2S)-pyrrolidine-2-carboxylic acid
Synonyms: [PubChem Synonyms]
Exact Mass:
115.0633 (neutral)    Calculate m/z:
Formula:C5H9NO2
InChIKey:ONIBWKKTOPOVIA-BYPYZUCNSA-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:Proline and derivatives [C0004322]
MoNA MS spectra:View spectra
Studies:Available studies

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External database links:

PubChem CID:145742
CHEBI ID:17203
HMDB ID:HMDB0000162
KEGG ID:C00148
Chemspider ID:128566
METLIN ID:29
BMRB ID:bmse000947
MetaCyc ID:PRO
EPA CompTox DB:DTXCID7021104

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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