Ketcher 03272011122D 1   1.00000     0.00000     0

 29 29  0     1  0            999 V2000
   11.8833   -4.2100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8827   -5.2096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7488   -5.7102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6148   -5.2108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6155   -4.2108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7495   -3.7102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0175   -3.7096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7502   -2.7106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4816   -3.7114    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7478   -6.7105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0165   -5.7096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4809   -5.7113    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1508   -5.2096    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    9.2846   -5.7096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4187   -5.2095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1508   -4.2095    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1508   -6.2096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5528   -5.7094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6866   -5.2095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5528   -6.7095    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6867   -7.2094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6867   -8.2094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8209   -6.7092    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
    5.8205   -5.7094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9546   -5.2094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9546   -4.2094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0886   -5.7095    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
   15.3477   -4.2114    0.0000 R#  0  0  0  0  0  0  0  0  0  0  0  0
   13.6163   -2.2106    0.0000 R#  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  1  6  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  1  7  1  6     0  0
  6  8  1  1     0  0
  5  9  1  6     0  0
  3 10  1  1     0  0
  2 11  1  1     0  0
  4 12  1  1     0  0
 11 13  1  0     0  0
 13 14  1  0     0  0
 14 15  1  0     0  0
 13 16  2  0     0  0
 13 17  1  0     0  0
 15 18  1  0     0  0
 18 19  1  0     0  0
 19 24  1  0     0  0
 18 20  1  6     0  0
 20 21  1  0     0  0
 21 22  2  0     0  0
 21 23  1  0     0  0
 24 25  1  0     0  0
 25 26  2  0     0  0
 25 27  1  0     0  0
  9 28  1  0     0  0
  8 29  1  0     0  0
M  CHG  1  17  -1
M  RGP  2  28   1  29   2
M  END
> <ID>
CHEBI:147334

> <NAME>
1-phosphatidyl-1D-myo-inositol anion derivative

> <DEFINITION>
A phosphatidylinositol anion where the inositol is either not phosphorylated or phosphorylated at position 4 and/or position 5; major species at pH 7.3.

> <STAR>
2

> <SYNONYM>
a 1,2-diacyl-sn-glycero-3-phospho-1D-myo-inositol derivative; 1,2-diacyl-sn-glycero-3-phospho-1D-myo-inositol anion derivative

> <FORMULA>
C11H14O13PR4

> <MASS>
385.195

> <MONOISOTOPIC_MASS>
385.01720

> <CHARGE>
-1

> <SMILES>
[C@@H]1([C@@H]([C@@H]([C@@H]([C@H]([C@@H]1O*)O*)O)O)OP(OC[C@@H](COC(=O)*)OC(=O)*)(=O)[O-])O

$$$$