CDK    2/12/10,15:28

 27 29  0  0  0  0  0  0  0  0999 V2000
    2.2724    0.0659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6445    0.5065    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0044    0.6071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3522   -0.7806    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8777    0.2568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9220    1.3357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7824    1.3288    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7469    0.2741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1398   -1.1240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2012    0.7632    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6210   -0.4892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8440   -0.6071    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4061    0.7668    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2299   -1.9463    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4545    0.2915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1978   -0.4892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2385    0.5481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4649   -1.2698    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8596   -0.0069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6887   -0.0069    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5180   -0.0069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6922   -0.8361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6922    0.8257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3471    0.0000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3540   -0.8327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1798    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3540    0.8291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0 
  1  3  2  0  0  0  0 
  1  4  1  0  0  0  0 
  5  2  1  1  0  0  0 
  2  6  1  0  0  0  0 
  3  7  1  0  0  0  0 
  3  8  1  0  0  0  0 
  4  9  2  0  0  0  0 
  5 10  1  0  0  0  0 
  5 11  1  0  0  0  0 
  8 12  1  0  0  0  0 
  8 13  2  0  0  0  0 
  9 14  1  0  0  0  0 
 10 15  1  0  0  0  0 
 11 16  1  0  0  0  0 
 15 17  1  1  0  0  0 
 16 18  1  6  0  0  0 
 17 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
 20 22  1  0  0  0  0 
 20 23  2  0  0  0  0 
 21 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
 24 26  1  0  0  0  0 
 24 27  2  0  0  0  0 
  6  7  2  0  0  0  0 
  9 12  1  0  0  0  0 
 15 16  1  0  0  0  0 
M  CHG  1  22  -1
M  CHG  1  25  -1
M  CHG  1  26  -1
M  END
> <ID>
CHEBI:58595

> <NAME>
dGDP(3-)

> <DEFINITION>
A 2'-deoxyribonucleoside 5'-diphosphate obtained by deprotonation of the diphosphate OH groups of dGDP.

> <STAR>
3

> <SYNONYM>
dGDP; 2'-deoxyguanosine 5'-diphosphate

> <FORMULA>
C10H12N5O10P2

> <MASS>
424.17730

> <MONOISOTOPIC_MASS>
424.00759

> <CHARGE>
-3

> <SMILES>
Nc1nc2n(cnc2c(=O)[nH]1)[C@H]1C[C@H](O)[C@@H](COP([O-])(=O)OP([O-])([O-])=O)O1

> <INCHI>
InChI=1S/C10H15N5O10P2/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(24-6)2-23-27(21,22)25-26(18,19)20/h3-6,16H,1-2H2,(H,21,22)(H2,18,19,20)(H3,11,13,14,17)/p-3/t4-,5+,6+/m0/s1

> <INCHIKEY>
CIKGWCTVFSRMJU-KVQBGUIXSA-K

> <BEILSTEIN_REGISTRY_NUMBER>
11523263

$$$$