Metabolomics Structure Database

 
MW REGNO: 68022
Common Name:Acetylcholine perchlorate
Systematic Name:2-acetoxyethyl(trimethyl)ammonium;perchlorate
Synonyms:(2-Acetoxyethyl)trimethylammonium perchlorate; 2-acetyloxyethyl(trimethyl)azanium perchlorate; 2-acetoxy-n,n,n-trimethylethanaminiumperchlorat; Ethanaminium, 2-(acetyloxy)-N,N,N-trimethyl-, perchlorate [PubChem Synonyms]
Exact Mass:
245.0666 (neutral)    Calculate m/z:
Formula:C7H16ClNO6
InChIKey:SHIQLFRCVFUYEK-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.[Cl](=O)(=O)(=O)[O-]
Studies:-

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External database links:

PubChem CID:93565
BMRB ID:bmse000434

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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