Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	51389
Common Name:	Hydantoin
Systematic Name:	imidazolidine-2,4-dione
RefMet Name:	Hydantoin
Synonyms:	2,4(3H,5H)-imidazoledione; 2,4-imidazolidinedione; imidazole-2,4(3H,5H)-dione [PubChem Synonyms]
Exact Mass:	100.0273 (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:	C3H4N2O2
InChIKey:	WJRBRSLFGCUECM-UHFFFAOYSA-N
ClassyFire superclass:	Organoheterocyclic compounds [C0000002]
ClassyFire class:	Azolidines [C0002491]
ClassyFire subclass:	Imidazolidines [C0000250]
ClassyFire direct parent:	Hydantoins [C0002273]
SMILES:	C1C(=O)NC(=O)N1
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	10006
CHEBI ID:	27612
HMDB ID:	HMDB0253235
MetaCyc ID:	HYDANTOIN
EPA CompTox DB:	DTXCID3030680
Plant Metabolite Hub(Pmhub):	MS000018585

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