Ketcher 02021613422D 1   1.00000     0.00000     0

 27 27  0     0  0            999 V2000
    7.2926   -2.7009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2926   -3.6983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1569   -4.1973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0208   -3.6984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0207   -2.7007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1565   -2.2018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4284   -2.2019    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1565   -1.2042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8846   -2.2018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8850   -4.1973    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7006   -4.1971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8366   -3.6983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9726   -4.1971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1085   -3.6983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2446   -4.1971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9726   -5.1948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3806   -3.6983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4835   -4.1971    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
    0.3806   -2.7006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1213   -5.2566    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5646   -3.6983    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    5.5646   -2.7006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5646   -4.6960    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4285   -4.1973    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1085   -5.6937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2446   -5.1948    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
    2.1085   -6.6913    0.0000 O   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
  4 10  1  1     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 14 15  1  0     0  0
 13 16  1  6     0  0
 15 17  1  0     0  0
 17 18  1  0     0  0
 17 19  2  0     0  0
  3 20  1  1     0  0
 11 21  1  0     0  0
 21 24  1  0     0  0
 21 22  2  0     0  0
 21 23  1  0     0  0
  2 24  1  1     0  0
 16 25  1  0     0  0
 25 26  1  0     0  0
 25 27  2  0     0  0
M  CHG  1  23  -1
M  END
> <ID>
CHEBI:91042

> <NAME>
phosphatidylinositol 25:0(1-)

> <DEFINITION>
A 1-phosphatidyl-1D-myo-inositol(1−) in which the two phosphatidyl acyl groups contain a total of 25 carbons and are fully saturated.

> <STAR>
3

> <SYNONYM>
PI(25:0); PI 25:0; phosphatidylinositol(25:0); phosphatidylinositol 25:0

> <FORMULA>
C34H64O13P

> <MASS>
711.408458

> <MONOISOTOPIC_MASS>
711.40845

> <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

$$$$