Metabolomics Structure Database

MDLMOL SDF CSV TSV

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: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M-H+2K]+ [M+Na]+ [M+2Na]2+ [M-H+2Na]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M-H]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+HCOO]- M(neutral)
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:	C1[C@@H]([C@@H](CO)O[C@H]1n1cc(c(=O)[nH]c1=O)C(F)(F)F)O
Studies:	-

Select appropriate tab below to view additional details:

All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	6256
HMDB ID:	HMDB0014576
Drugbank ID:	DB00432

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