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CHEBI:83486 - 2',2'-difluoro-2'-deoxyuridine

ChEBI IDCHEBI:83486
ChEBI Name2',2'-difluoro-2'-deoxyuridine
Stars
DefinitionA pyrimidine 2'-deoxyribonucleoside that is uridine in which the hydroxy group at position 2' has been replaced by two fluoro substituents. It is a metabolite of the drug gemcitabine.
Last Modified12 November 2014
DownloadsMolfile
FormulaC9H10F2N2O5
Net Charge0
Average Mass264.184
Monoisotopic Mass264.05578
SMILESO=c1ccn(C2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1
InChIInChI=1S/C9H10F2N2O5/c10-9(11)6(16)4(3-14)18-7(9)13-2-1-5(15)12-8(13)17/h1-2,4,6-7,14,16H,3H2,(H,12,15,17)/t4-,6-,7?/m1/s1
InChIKeyFIRDBEQIJQERSE-WETFRILZSA-N
Roles Classification
Biological Role:
marine xenobiotic metabolite  Any metabolite produced by metabolism of a xenobiotic compound in marine macro- and microorganisms.
ChEBI Ontology
Outgoing Relation(s)
2',2'-difluoro-2'-deoxyuridine (CHEBI:83486) has role marine xenobiotic metabolite (CHEBI:83399)
2',2'-difluoro-2'-deoxyuridine (CHEBI:83486) is a organofluorine compound (CHEBI:37143)
2',2'-difluoro-2'-deoxyuridine (CHEBI:83486) is a pyrimidine 2'-deoxyribonucleoside (CHEBI:19255)
IUPAC Name 
2'-deoxy-2',2'-difluorouridine
Registry NumbersSources
Reaxys:5347002Reaxys
Reaxys:17065054Reaxys