1FR8_GDU_A_100
  RCSB PDB12061702313D
Coordinates from PDB:1FR8:A:100 Model:1 without hydrogens
 25 26  0  0  0  0            999 V2000
   14.0090   19.2740    7.2290   N 0  0  0  0  0  0  0  0  0  0  0  0
   14.3130   19.2680    5.8930   C 0  0  0  0  0  0  0  0  0  0  0  0
   13.2820   18.9320    5.0560   N 0  0  0  0  0  0  0  0  0  0  0  0
   11.9630   18.5910    5.4270   C 0  0  0  0  0  0  0  0  0  0  0  0
   11.7310   18.6070    6.8610   C 0  0  0  0  0  0  0  0  0  0  0  0
   12.7170   18.9380    7.6960   C 0  0  0  0  0  0  0  0  0  0  0  0
   15.4470   19.5640    5.5720   O 0  0  0  0  0  0  0  0  0  0  0  0
   11.1190   18.3050    4.5520   O 0  0  0  0  0  0  0  0  0  0  0  0
   15.1340   19.6900    8.0700   C 0  0  0  0  0  0  0  0  0  0  0  0
   15.1790   21.0420    8.7500   C 0  0  0  0  0  0  0  0  0  0  0  0
   15.3910   22.2130    7.9330   O 0  0  0  0  0  0  0  0  0  0  0  0
   16.2330   20.7490    9.7320   C 0  0  0  0  0  0  0  0  0  0  0  0
   15.6060   19.4830   10.3340   C 0  0  0  0  0  0  0  0  0  0  0  0
   15.3620   18.7660    9.0820   O 0  0  0  0  0  0  0  0  0  0  0  0
   17.4360   20.4140    9.0010   O 0  0  0  0  0  0  0  0  0  0  0  0
   14.3170   19.6850   11.1850   C 0  0  0  0  0  0  0  0  0  0  0  0
   13.1610   20.2940   10.5460   O 0  0  0  0  0  0  0  0  0  0  0  0
   11.6920   20.5750   11.1480   P 0  0  0  0  0  0  0  0  0  0  0  0
   10.9380   21.7430   10.6490   O 0  0  0  0  0  0  0  0  0  0  0  0
   11.2410   19.9850   12.4700   O 0  0  0  0  0  0  0  0  0  0  0  0
   12.6910   21.6230   12.0450   O 0  0  0  0  0  0  0  0  0  0  0  0
   12.4450   22.4170   13.4250   P 0  0  0  0  0  0  0  0  0  0  0  0
   13.7200   23.3220   13.8620   O 0  0  0  0  0  0  0  0  0  0  0  0
   11.2850   22.0670   14.3450   O 0  0  0  0  0  0  0  0  0  0  0  0
   12.8220   21.1420   14.1470   O 0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  1  9  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  2  0  0  0  0
  5  6  2  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
A    1
N1
A    2
C2
A    3
N3
A    4
C4
A    5
C5
A    6
C6
A    7
O2
A    8
O4
A    9
C1D
A   10
C2D
A   11
O2D
A   12
C3D
A   13
C4D
A   14
O4D
A   15
O3D
A   16
C5D
A   17
O5D
A   18
PA
A   19
O1A
A   20
O2A
A   21
O3A
A   22
PB
A   23
O1B
A   24
O2B
A   25
O3B
M  END
>  <InstanceId>
1FR8_GDU_A_100

>  <ChemCompId>
GDU

>  <PdbId>
1FR8

>  <ChainId>
A

>  <ResidueNumber>
100

>  <InsertionCode>


>  <Model>
1

>  <AltIds>


>  <MissingHeavyAtoms>
11

>  <ObservedFormula>
C9 N2 O12 P2

>  <Name>
GALACTOSE-URIDINE-5'-DIPHOSPHATE

>  <SystematicName>
[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [hydroxy-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-phosphoryl] hydrogen phosphate

>  <Synonyms>
UDP-D-GALACTOPYRANOSE

>  <Type>
NON-POLYMER

>  <Formula>
C15 H24 N2 O17 P2

>  <MolecularWeight>
566.302

>  <ModifiedDate>
2011-06-04

>  <Parent>


>  <OneLetterCode>


>  <SubcomponentList>


>  <AmbiguousFlag>
N

>  <InChI>
InChI=1S/C15H24N2O17P2/c18-3-5-8(20)10(22)12(24)14(32-5)33-36(28,29)34-35(26,27)30-4-6-9(21)11(23)13(31-6)17-2-1-7(19)16-15(17)25/h1-2,5-6,8-14,18,20-24H,3-4H2,(H,26,27)(H,28,29)(H,16,19,25)/t5-,6-,8+,9-,10+,11-,12-,13-,14-/m1/s1

>  <InChIKey>
HSCJRCZFDFQWRP-ABVWGUQPSA-N

>  <SMILES>
C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O

$$$$
