Marvin  02191015262D          

 36 37  0  0  0  0            999 V2000
    1.2695    0.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7846    0.6674    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7846   -0.6674    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0396    1.4521    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8465    1.6236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4875    2.0652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0945    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1015    2.4082    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3986    1.0105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7425    2.8498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0396   -1.4521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5494    3.0213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8044    3.8059    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6674   -0.8974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3819   -0.4849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8109   -0.4849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0964   -1.7224    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5253   -1.7224    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2398   -0.4849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5253   -0.8974    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5253   -0.0724    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.0964   -0.8974    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0964   -0.0724    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -4.9543   -0.8974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6687   -0.4849    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.6687    0.3401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3832    0.7526    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3832    1.5776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0977    1.9901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6687    1.9901    0.0000 R#  0  0  0  0  0  0  0  0  0  0  0  0
   -6.3832   -0.8974    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0977   -0.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0977    0.3401    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8122   -0.8974    0.0000 R#  0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  6  0  0  0
  2  1  1  0  0  0  0
  2  6  1  1  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4 16  1  1  0  0  0
  1  5  1  0  0  0  0
  4  5  1  0  0  0  0
  5 13  1  6  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  2  0  0  0  0
 10 14  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 16 17  1  0  0  0  0
 17 24  1  0  0  0  0
 24 18  1  0  0  0  0
 18 22  1  0  0  0  0
 24 19  2  0  0  0  0
 22 20  2  0  0  0  0
 22 21  1  0  0  0  0
 22 23  1  0  0  0  0
 24 25  1  0  0  0  0
 21 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 27 33  1  6  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 34 36  1  0  0  0  0
M  CHG  2  23  -1  25  -1
M  RGP  2  32   1  36   2
M  END
> <ID>
CHEBI:58332

> <NAME>
CDP-diacylglycerol(2-)

> <DEFINITION>
An organophosphate oxoanion arising from deprotonation of both phosphate OH groups of a CDP-diacylglycerol.

> <STAR>
3

> <SYNONYM>
a CDP-1,2-diacyl-sn-glycerol

> <FORMULA>
C14H17N3O15P2R2

> <MASS>
529.24340

> <MONOISOTOPIC_MASS>
529.01349

> <CHARGE>
-2

> <SMILES>
Nc1ccn([C@@H]2O[C@H](COP([O-])(=O)OP([O-])(=O)OC[C@@H](COC([*])=O)OC([*])=O)[C@@H](O)[C@H]2O)c(=O)n1

$$$$