Metabolomics Structure Database
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MW REGNO: | 58771 |
Common Name: | Acetylcholine bromide |
Systematic Name: | 2-acetoxy-N,N,N-trimethylethanaminium bromide |
Synonyms: | (2-Acetoxyethyl)trimethylammonium bromide; (2-hydroxyethyltrimethyl)ammonium bromide acetate; 2-acetoxyethyltrimethylammonium bromide; Acetoxyethyl-trimethylammonium bromide; Acetylcholine bromhydrate; Acetylcholine hydrobromide; N,N,N-Trimethyl-2-acetoxyethylammonium bromide; Pragmoline; Tonocholin B; Trimethyl(2-acetoxyethyl)ammonium bromide; bromoacetylcholine [PubChem Synonyms] |
Exact Mass: | |
Formula: | C7H16BrNO2 |
InChIKey: | ZEHGKSPCAMLJDC-UHFFFAOYSA-M |
ClassyFire superclass: | Organic nitrogen compounds [C0004707] |
ClassyFire class: | Organonitrogen compounds [C0000278] |
ClassyFire subclass: | Quaternary ammonium salts [C0000503] |
ClassyFire direct parent: | Acyl cholines [C0000386] |
SMILES: | CC(=O)OCC[N+](C)(C)C.[Br-] |
Studies: | - |
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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