Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	53452
Common Name:	Succinimide
Systematic Name:	pyrrolidine-2,5-dione
RefMet Name:	Succinimide
Synonyms:	2,5-Diketopyrrolidine; 2,5-Pyrrolidinedione; 2,5-dioxopyrrolidine; 3,4-dihydropyrrole-2,5-dione; Butanimide; Succinimide; dihydro-3-pyrroline-2,5-dione; succinic acid imide [PubChem Synonyms]
Exact Mass:	99.0320 (neutral)    Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M-H+2K]+ [M+Na]+ [M+2Na]2+ [M-H+2Na]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M-H]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+HCOO]- M(neutral)
Formula:	C4H5NO2
InChIKey:	KZNICNPSHKQLFF-UHFFFAOYSA-N
ClassyFire superclass:	Organoheterocyclic compounds [C0000002]
ClassyFire class:	Pyrrolidines [C0000218]
ClassyFire subclass:	Pyrrolidones [C0001158]
ClassyFire direct parent:	Pyrrolidine-2-ones [C0003031]
MoNA MS spectra:	View MS spectra
SMILES:	C1CC(=O)NC1=O
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	11439
CHEBI ID:	9307
HMDB ID:	HMDB0240653
KEGG ID:	C07273
MetaCyc ID:	SUCCIMIDE
EPA CompTox DB:	DTXCID3030181
Plant Metabolite Hub(Pmhub):	MS000009649

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