Ketcher 07181615412D 1   1.00000     0.00000     0

 27 27  0     1  0            999 V2000
   11.8835   -4.2100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8829   -5.2097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7489   -5.7103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6150   -5.2109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6156   -4.2108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7497   -3.7102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0176   -3.7096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7504   -2.7106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4818   -3.7114    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7480   -6.7105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0167   -5.7096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4810   -5.7114    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1509   -5.2097    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    9.2848   -5.7096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4188   -5.2095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1509   -4.2095    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1509   -6.2097    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
    6.6867   -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
    6.6868   -7.2094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6868   -8.2094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8209   -6.7093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8206   -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
    4.0887   -5.7095    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  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
A   23
R2
A   27
R1
M  CHG  1  17  -1
M  END
> <ID>
CHEBI:132693

> <NAME>
phosphatidylinositol 42:6(1-)

> <DEFINITION>
A 1-phosphatidyl-1D-myo-inositol(1−) in which the two acyl groups at C-1 and C-2 contain a total of 42 carbons and 6 double bonds.

> <STAR>
3

> <SYNONYM>
PI(42:6); PI 42:6; phosphatidylinositol(42:6); phosphatidylinositol 42:6

> <FORMULA>
C51H86O13P

> <MASS>
938.196

> <MONOISOTOPIC_MASS>
937.58060

> <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

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