Metabolomics Structure Database
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MW REGNO: | 67821 |
Common Name: | Parabanic acid |
Systematic Name: | imidazolidine-2,4,5-trione |
RefMet Name: | Parabanic acid |
Synonyms: | 2,4,5-Imidazolidinetrione; IMIDAZOLIDINETRIONE; Oxalylurea; imidazolidine-2,4,5-trione [PubChem Synonyms] |
Exact Mass: | |
Formula: | C3H2N2O3 |
InChIKey: | ZFLIKDUSUDBGCD-UHFFFAOYSA-N |
ClassyFire superclass: | Organoheterocyclic compounds [C0000002] |
ClassyFire class: | Azolidines [C0002491] |
ClassyFire subclass: | Imidazolidines [C0000250] |
ClassyFire direct parent: | Hydantoins [C0002273] |
NP-MRD NMR spectra: | View NMR spectra |
SMILES: | C1(=O)C(=O)NC(=O)N1 |
Studies: | Available studies (via RefMet name) |
Select appropriate tab below to view additional details:
External database links:
PubChem CID: | 67126 |
HMDB ID: | HMDB0062802 |
BMRB ID: | bmse000748 |
MetaCyc ID: | CPD-3685 |
NP-MRD ID(NMR): | NP0002892 |
Plant Metabolite Hub(Pmhub): | MS000008576 |
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