Metabolomics Structure Database

 
Created with Raphaƫl 2.1.0NO
MW REGNO: 207459
Common Name:N-Vinyl-2-pyrrolidone
Synonyms: [PubChem Synonyms]
Exact Mass:
111.0684 (neutral)    Calculate m/z:
Formula:C6H9NO
InChIKey:WHNWPMSKXPGLAX-UHFFFAOYSA-N
SMILES:C=CN1CCCC1=O
Studies:Available studies(via PubChem CID)

Select appropriate tab below to view additional details:

External database links:

PubChem CID:6917
EPA CompTox DB:DTXCID101440

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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