Chemical Component Summary

Name4-AMINO-2-TRIFLUOROMETHYL-5-HYDROXYMETHYLPYRIMIDINE PYROPHOSPHATE
Identifiers[4-amino-2-(trifluoromethyl)pyrimidin-5-yl]methyl phosphono hydrogen phosphate
FormulaC6 H8 F3 N3 O7 P2
Molecular Weight353.086
TypeNON-POLYMER
Isomeric SMILESc1c(c(nc(n1)C(F)(F)F)N)CO[P@](=O)(O)OP(=O)(O)O
InChIInChI=1S/C6H8F3N3O7P2/c7-6(8,9)5-11-1-3(4(10)12-5)2-18-21(16,17)19-20(13,14)15/h1H,2H2,(H,16,17)(H2,10,11,12)(H2,13,14,15)
InChIKeyUKNJCTHTCAKKNG-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count29
Chiral Atom Count1
Bond Count29
Aromatic Bond Count6

Drug Info: DrugBank

DrugBank IDDB07782 
Name4-AMINO-2-TRIFLUOROMETHYL-5-HYDROXYMETHYLPYRIMIDINE PYROPHOSPHATE
Groups experimental
Synonyms4-AMINO-2-TRIFLUOROMETHYL-5-HYDROXYMETHYLPYRIMIDINE PYROPHOSPHATE

Drug Targets

NameTarget SequencePharmacological ActionActions
Thiamine-phosphate synthaseMTRISREMMKELLSVYFIMGSNNTKADPVTVVQKALKGGATLYQFREKGG...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 1722