Ketcher 02271714552D 1   1.00000     0.00000     0

 27 27  0     1  0            999 V2000
   16.9678   -9.4245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1018   -8.9245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1018   -7.9244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9678   -7.4244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8336   -7.9244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8336   -8.9245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9678  -10.4244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.6998   -9.4245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.6998   -7.4245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2355   -7.4245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2355   -9.4245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9678   -6.4243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3697   -8.9245    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   13.5035   -9.4245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6376   -8.9243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3697   -7.9244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3697   -9.9245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7717   -9.4242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9056   -8.9243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0396   -9.4242    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7717  -10.4242    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9058  -10.9243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9058  -11.9242    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1736   -8.9243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3075   -9.4242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1736   -7.9242    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0398  -10.4244    0.0000 C   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  1     0  0
  6  8  1  6     0  0
  5  9  1  1     0  0
  3 10  1  6     0  0
  2 11  1  6     0  0
  4 12  1  6     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 20  1  0     0  0
 18 21  1  6     0  0
 21 22  1  0     0  0
 22 23  2  0     0  0
 22 27  1  0     0  0
 20 24  1  0     0  0
 24 25  1  0     0  0
 24 26  2  0     0  0
A   25
R1
A   27
R2
M  END
> <ID>
CHEBI:136235

> <NAME>
phosphatidylinositol 36:4

> <DEFINITION>
A 1-phosphatidyl-1D-myo-inositol in which the two acyl groups contain a total of 36 carbon atoms and 4 double bonds.

> <STAR>
3

> <SYNONYM>
PI(36:4); PI 36:4; phosphatidylinositol(36:4); phosphatidylinositol 36:4

> <FORMULA>
C45H79O13P

> <MASS>
859.076

> <MONOISOTOPIC_MASS>
858.52583

> <CHARGE>
0

> <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

$$$$