UMF

2'-FLUORO-2'-DEOXYURIDINE 3'-MONOPHOSPHATE

Created: 2004-07-27
Last modified:  2021-03-13

Help

Find related ligands:

Chemical Details

Formal Charge0
Atom Count33
Chiral Atom Count4
Bond Count34
Aromatic Bond Count6
2D diagram of UMF
Toggle HydrogenToggle Labels

Chemical Component Summary

Name2'-FLUORO-2'-DEOXYURIDINE 3'-MONOPHOSPHATE
Synonyms1-(2-DEOXY-2-FLUORO-3-O-PHOSPHONO-BETA-L-RIBOFURANOSYL)PYRIMIDINE-2,4(1H,3H)-DIONE
Systematic Name (OpenEye OEToolkits)[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate
FormulaC9 H12 F N2 O8 P
Molecular Weight326.172
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C1NC(=O)N(C=C1)C2OC(C(OP(=O)(O)O)C2F)CO
SMILESCACTVS3.341OC[CH]1O[CH]([CH](F)[CH]1O[P](O)(O)=O)N2C=CC(=O)NC2=O
SMILESOpenEye OEToolkits1.5.0C1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)OP(=O)(O)O)F
Canonical SMILESCACTVS3.341 OC[C@H]1O[C@H]([C@H](F)[C@@H]1O[P](O)(O)=O)N2C=CC(=O)NC2=O
Canonical SMILESOpenEye OEToolkits1.5.0 C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)OP(=O)(O)O)F
InChIInChI1.03 InChI=1S/C9H12FN2O8P/c10-6-7(20-21(16,17)18)4(3-13)19-8(6)12-2-1-5(14)11-9(12)15/h1-2,4,6-8,13H,3H2,(H,11,14,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
InChIKeyInChI1.03 IFIXUMAFUNKIAA-XVFCMESISA-N

Drug Info: DrugBank

DrugBank IDDB03155 
Name2'-fluoro-2'-deoxyuridine 3'-monophosphate
Groups experimental
Synonyms2'-fluoro-2'-deoxyuridine 3'-monophosphate

Drug Targets

NameTarget SequencePharmacological ActionActions
Ribonuclease pancreaticMALEKSLVRLLLLVLILLVLGWVQPSLGKESRAKKFQRQHMDSDSSPSSS...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 5289534