Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	37666
Common Name:	Hydantoin-5-propionic acid
Systematic Name:	3-(2,5-dioxoimidazolidin-4-yl)propanoic acid
RefMet Name:	Hydantoin-5-propionic acid
Synonyms:	[PubChem Synonyms]
Exact Mass:	172.0484 (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:	C6H8N2O4
InChIKey:	VWFWNXQAMGDPGG-UHFFFAOYSA-N
ClassyFire superclass:	Organoheterocyclic compounds [C0000002]
ClassyFire class:	Azolidines [C0002491]
ClassyFire subclass:	Imidazolidines [C0000250]
ClassyFire direct parent:	Hydantoins [C0002273]
MoNA MS spectra:	View MS spectra
SMILES:	C(CC(=O)O)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:	782
HMDB ID:	HMDB0001212
KEGG ID:	C05565
Chemspider ID:	761
METLIN ID:	6084
Plant Metabolite Hub(Pmhub):	MS000018771

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