4JBY_FSK_A_601
  RCSB PDB12061713083D
Coordinates from PDB:4JBY:A:601 Model:1 without hydrogens
 16 16  0  0  0  0            999 V2000
   46.5190   25.1720   54.5990   N 0  0  0  0  0  0  0  0  0  0  0  0
   47.6180   25.5430   55.5300   C 0  0  0  0  0  0  0  0  0  0  0  0
   45.2220   26.7980   55.6080   O 0  0  0  0  0  0  0  0  0  0  0  0
   43.2350   24.4580   52.2960   O 0  0  0  0  0  0  0  0  0  0  0  0
   44.2420   25.6190   53.9390   N 0  0  0  0  0  0  0  0  0  0  0  0
   45.3260   25.9150   54.7680   C 0  0  0  0  0  0  0  0  0  0  0  0
   44.2650   24.6170   52.9580   C 0  0  0  0  0  0  0  0  0  0  0  0
   45.5210   23.8930   52.8350   C 0  0  0  0  0  0  0  0  0  0  0  0
   45.5150   22.8460   51.7890   C 0  0  0  0  0  0  0  0  0  0  0  0
   46.6050   24.1630   53.6170   C 0  0  0  0  0  0  0  0  0  0  0  0
   47.8690   23.3930   53.4790   C 0  0  0  0  0  0  0  0  0  0  0  0
   49.0040   23.8180   52.9140   C 0  0  0  0  0  0  0  0  0  0  0  0
   49.2370   25.2700   52.5950   C 0  0  0  0  0  0  0  0  0  0  0  0
   50.2320   22.9760   52.6560   C 0  0  0  0  0  0  0  0  0  0  0  0
   50.1260   25.7400   53.5000   F 0  0  0  0  0  0  0  0  0  0  0  0
   49.8490   21.6340   52.7490   O 0  0  0  0  0  0  0  0  0  0  0  0
  9  8  1  0  0  0  0
  4  7  2  0  0  0  0
 13 12  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 12  1  0  0  0  0
  8  7  1  0  0  0  0
  8 10  2  0  0  0  0
 12 11  2  0  0  0  0
  7  5  1  0  0  0  0
 11 10  1  0  0  0  0
 10  1  1  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  6  3  2  0  0  0  0
A    1
N1
A    2
C6
A    3
O1
A    4
O2
A    5
N2
A    6
C1
A    7
C2
A    8
C3
A    9
C4
A   10
C5
A   11
C11
A   12
C12
A   13
C14
A   14
C13
A   15
F
A   16
O3
M  END
>  <InstanceId>
4JBY_FSK_A_601

>  <ChemCompId>
FSK

>  <PdbId>
4JBY

>  <ChainId>
A

>  <ResidueNumber>
601

>  <InsertionCode>


>  <Model>
1

>  <AltIds>


>  <MissingHeavyAtoms>
0

>  <ObservedFormula>
C10 N2 O3 F

>  <Name>
6-[(1Z)-3-fluoro-2-(hydroxymethyl)prop-1-en-1-yl]-1,5-dimethylpyrimidine-2,4(1H,3H)-dione

>  <SystematicName>
6-[(Z)-2-(fluoranylmethyl)-3-oxidanyl-prop-1-enyl]-1,5-dimethyl-pyrimidine-2,4-dione

>  <Synonyms>


>  <Type>
NON-POLYMER

>  <Formula>
C10 H13 F N2 O3

>  <MolecularWeight>
228.22

>  <ModifiedDate>
2013-03-01

>  <Parent>


>  <OneLetterCode>


>  <SubcomponentList>


>  <AmbiguousFlag>
N

>  <InChI>
InChI=1S/C10H13FN2O3/c1-6-8(3-7(4-11)5-14)13(2)10(16)12-9(6)15/h3,14H,4-5H2,1-2H3,(H,12,15,16)/b7-3+

>  <InChIKey>
NEZZLCCSEJKABY-XVNBXDOJSA-N

>  <SMILES>
CC1=C(N(C(=O)NC1=O)C)/C=C(/CO)\CF

$$$$
