Metabolomics Structure Database

 
MW REGNO: 145173
Common Name:Trifluridine
Systematic Name:1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione
Synonyms:5-(Trifluoromethyl)deoxyuridine; 5-Trifluoromethyl-2-deoxyuridine; F?T; TFT; Trifluoromethyldeoxyuridine; Trifluorothymidine; Trifluorothymine deoxyriboside; Trifluridin; Trifluridina; Trifluridine; Trifluridinum [PubChem Synonyms]
Exact Mass:
296.0620 (neutral)    Calculate m/z:
Formula:C10H11F3N2O5
InChIKey:VSQQQLOSPVPRAZ-RRKCRQDMSA-N
ClassyFire superclass:Nucleosides, nucleotides, and analogues [C0000289]
ClassyFire class:Pyrimidine nucleosides [C0000480]
ClassyFire subclass:Pyrimidine 2'-deoxyribonucleosides [C0002180]
SMILES:O[C@@H]1C[C@H](O[C@H]1CO)N1C=C(C(=O)NC1=O)C(F)(F)F
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

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