Marvin  05121016352D          

 18 19  0  0  1  0            999 V2000
    0.0000   -0.8250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6674   -1.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6675   -1.3100    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7144    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -2.0946    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.4125   -2.0946    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4521   -1.0550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4290    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7144    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8975   -2.7620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8974   -2.7620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5618   -3.5157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    1.6500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  1  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  6  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  2  0  0  0  0
  7 15  1  1  0  0  0
  8 13  1  6  0  0  0
 10 14  1  0  0  0  0
 14 17  2  0  0  0  0
  7  8  1  0  0  0  0
 12 14  1  0  0  0  0
 15 16  1  0  0  0  0
 12 18  1  0  0  0  0
M  END
> <ID>
CHEBI:40154

> <NAME>
5-fluorouridine

> <DEFINITION>
An organofluorine compound that is uridine bearing a fluoro substituent at position 5 on the uracil ring.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:46390; CHEBI:73164

> <SYNONYM>
5-FLUOROURIDINE; 5-fluorouridine; 5-Fluorouracil 1beta-D-ribofuranoside; 5-Fluoro-uridine

> <FORMULA>
C9H11FN2O6

> <MASS>
262.19180

> <MONOISOTOPIC_MASS>
262.06011

> <CHARGE>
0

> <SMILES>
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(F)c(=O)[nH]c1=O

> <INCHI>
InChI=1S/C9H11FN2O6/c10-3-1-12(9(17)11-7(3)16)8-6(15)5(14)4(2-13)18-8/h1,4-6,8,13-15H,2H2,(H,11,16,17)/t4-,5-,6-,8-/m1/s1

> <INCHIKEY>
FHIDNBAQOFJWCA-UAKXSSHOSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
33662

> <CAS_REGISTRY_NUMBER>
316-46-1

> <GMELIN_REGISTRY_NUMBER>
466575

> <REAXYS_REGISTRY_NUMBER>
33662

> <CHEMIDPLUS>
316-46-1

> <DRUGBANK_ACCESSION>
DB01629

> <KEGG_COMPOUND_ACCESSION>
C16633

> <METACYC_ACCESSION>
CPD0-2367

> <PDBECHEM_ACCESSION>
5UD

> <PUBMED_CITATION>
12039627; 21744792

$$$$