Metabolomics Structure Database

 
MW REGNO: 49849
Common Name:Maleimide
Systematic Name:pyrrole-2,5-dione
RefMet Name:Maleimide
Synonyms:maleimide [PubChem Synonyms]
Exact Mass:
97.0164 (neutral)    Calculate m/z:
Formula:C4H3NO2
InChIKey:PEEHTFAAVSWFBL-UHFFFAOYSA-N
ClassyFire superclass:Organoheterocyclic compounds [C0000002]
ClassyFire class:Pyrrolidines [C0000218]
ClassyFire subclass:Pyrrolidones [C0001158]
ClassyFire direct parent:Maleimides [C0003203]
MoNA MS spectra:View MS spectra
SMILES:C1=CC(=O)NC1=O
Studies:Available studies (via RefMet name)

Select appropriate tab below to view additional details:

External database links:

PubChem CID:10935
HMDB ID:HMDB0254312
KEGG ID:C07272
MetaCyc ID:MALEIMIDE
EPA CompTox DB:DTXCID2029377
Plant Metabolite Hub(Pmhub):MS000019493

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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