Ketcher 05111808092D 1   1.00000     0.00000     0

 27 29  0     1  0            999 V2000
   -2.9781    1.5241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4781    0.6581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4781    0.6581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8090    1.4013    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1045    0.9945    0.0000 C   0  0  0  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
    0.7431   -0.6691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7213   -0.4613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2213   -1.3273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2158   -1.4318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8036   -0.6228    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7981   -0.7273    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.8243   -1.7269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5235   -1.4156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3859    0.0818    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3805   -0.0228    0.0000 Se  0  0  0  0  0  0  0  0  0  0  0  0
    6.2759   -1.0173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4850    0.9718    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3750   -0.1273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5522   -2.0704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7601   -3.0486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6386   -1.6636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2274   -2.1636    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9781   -0.2079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4781   -1.0739    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4781   -1.0739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9781   -0.2079    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  2  0     0  0
  3  4  1  0     0  0
  4  5  2  0     0  0
  5  6  1  0     0  0
  7  6  1  6     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  6     0  0
 10 11  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 12 14  2  0     0  0
 12 15  1  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
 16 18  2  0     0  0
 16 19  2  0     0  0
  9 20  1  0     0  0
 20 21  1  1     0  0
 20 22  1  0     0  0
 22  7  1  0     0  0
 22 23  1  1     0  0
  6 24  1  0     0  0
 24  3  1  0     0  0
 24 25  2  0     0  0
 25 26  1  0     0  0
 26 27  2  0     0  0
 27  2  1  0     0  0
M  CHG  2  13  -1  17  -1
M  END
> <ID>
CHEBI:140726

> <NAME>
Adenylylselenate(2-)

> <STAR>
2

> <FORMULA>
C10H12N5O10PSe

> <MASS>
472.163

> <MONOISOTOPIC_MASS>
472.94980

> <CHARGE>
-2

> <SMILES>
NC1=C2N=CN([C@@H]3O[C@H](COP([O-])(=O)O[Se]([O-])(=O)=O)[C@@H](O)[C@H]3O)C2=NC=N1

> <INCHI>
InChI=1S/C10H14N5O10PSe/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-26(18,19)25-27(20,21)22/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H2,11,12,13)(H,20,21,22)/p-2/t4-,6-,7-,10-/m1/s1

> <INCHIKEY>
XCADVMZZFPIERR-KQYNXXCUSA-L

$$$$