Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	87146
Common Name:	Ethyl 3-(carbamoylamino)propanoate
Systematic Name:	Ethyl 3-ureidopropanoate
RefMet Name:	Ethyl 3-(carbamoylamino)propanoate
Synonyms:	[PubChem Synonyms]
Exact Mass:	160.0848 (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:	C6H12N2O3
InChIKey:	BYCFJYNUBNQNIY-UHFFFAOYSA-N
ClassyFire superclass:	Organic acids and derivatives [C0000264]
ClassyFire class:	Organic carbonic acids and derivatives [C0000364]
ClassyFire subclass:	Ureas [C0000517]
ClassyFire direct parent:	Ureas [C0000517]
SMILES:	CCOC(=O)CCNC(=O)N
Studies:	Available studies (via RefMet name)

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External database links:

PubChem CID:

3613685

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