Metabolomics Structure Database

 
Created with Raphaƫl 2.1.0OONO
MW REGNO: 208708
Common Name:Ethyl 3-(N-butylacetamido)propionate
Synonyms: [PubChem Synonyms]
Exact Mass:
215.1521 (neutral)    Calculate m/z:
Formula:C11H21NO3
InChIKey:VZRKEAFHFMSHCD-UHFFFAOYSA-N
SMILES:CCCCN(CCC(=O)OCC)C(=O)C
Studies:Available studies(via PubChem CID)

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External database links:

PubChem CID:104150
EPA CompTox DB:DTXCID7015753

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

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