Metabolomics Structure Database

 
MW REGNO: 64830
Common Name:Florbetapir F-18
Systematic Name:4-{(E)-2-[6-(2-{2-[2-((18)F)fluoroethoxy]ethoxy}ethoxy)pyridin-3-yl]ethenyl}-N-methylaniline
Synonyms:Florbetapir [PubChem Synonyms]
Exact Mass:
360.1849 (neutral)    Calculate m/z:
Formula:C20H25FN2O3
InChIKey:YNDIAUKFXKEXSV-CRYLGTRXSA-N
ClassyFire superclass:Benzenoids [C0002448]
ClassyFire class:Benzene and substituted derivatives [C0002279]
ClassyFire subclass:Styrenes [C0000037]
ClassyFire direct parent:Styrenes [C0000037]
SMILES:CNc1ccc(/C=C/c2ccc(nc2)OCCOCCOCC[18F])cc1
Studies:-

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External database links:

PubChem CID:24822371
CHEBI ID:66880
EPA CompTox DB:DTXCID601065499

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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