Ketcher 12011621002D 1   1.00000     0.00000     0

 25 24  0     1  0            999 V2000
    1.8153   -4.7544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6812   -5.2544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2793   -4.7544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1455   -5.2544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4133   -5.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5473   -4.7544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9491   -5.2544    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
    1.8153   -3.7544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4132   -6.2544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5472   -6.7544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5472   -7.7543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6812   -6.2544    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
    7.0114   -4.7544    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    7.0114   -3.7544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8775   -5.2544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2703   -5.7204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3415   -5.2544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4755   -4.7544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7434   -4.7544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6095   -5.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2075   -3.7544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0736   -5.2544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6095   -6.2544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2075   -4.7544    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   12.2075   -5.7544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  8  1  2  0     0  0
  1  2  1  0     0  0
  4  3  1  0     0  0
  5  3  1  0     0  0
  5  9  1  6     0  0
  5  6  1  0     0  0
  2  6  1  0     0  0
  7  1  1  0     0  0
 10  9  1  0     0  0
 12 10  1  0     0  0
 11 10  2  0     0  0
  4 13  1  0     0  0
 13 14  2  0     0  0
 13 15  1  0     0  0
 13 16  1  0     0  0
 17 24  1  0     0  0
 17 18  1  0     0  0
 19 15  1  0     0  0
 20 19  1  0     0  0
 18 20  1  0     0  0
 20 23  1  6     0  0
 21 24  2  0     0  0
 22 24  1  0     0  0
 24 25  1  0     0  0
M  CHG  3  16  -1  22  -1  25  -1
M  END
> <ID>
CHEBI:60110

> <NAME>
1-(3-sn-phosphatidyl)-sn-glycerol 3-phosphate(3-)

> <DEFINITION>
Trianion of 1-(3-sn-phosphatidyl)-sn-glycerol 3-phosphate arising from deprotonation of all three free phosphate OH groups; major species at pH 7.3.

> <STAR>
3

> <SYNONYM>
1-(3-sn-phosphatidyl)-sn-glycerol 3-phosphate trianion; 1,2-diacyl-sn-glycero-3-phospho-(1'-sn-glycero-3'-phosphate)

> <FORMULA>
C8H11O13P2R2

> <MASS>
377.113

> <MONOISOTOPIC_MASS>
376.96749

> <CHARGE>
-3

> <SMILES>
C(=O)(OC[C@H](COP(=O)(OC[C@H](COP(=O)([O-])[O-])O)[O-])OC(*)=O)*

$$$$