Marvin  06271311062D          

 27 27  0  0  1  0            999 V2000
    6.0304   -2.2334    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0304   -3.0582    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.7451   -3.4708    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.4595   -3.0583    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.4594   -2.2333    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.7448   -1.8207    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.3158   -1.8208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7448   -0.9958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1738   -1.8207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1741   -3.4708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8870   -3.4707    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1726   -3.0582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4581   -3.4707    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.7436   -3.0582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0292   -3.4707    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4581   -4.2957    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3147   -3.0582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3998   -3.4707    0.0000 R#  0  0  0  0  0  0  0  0  0  0  0  0
    0.3147   -2.2332    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7157   -4.3468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6015   -3.0582    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.6015   -2.2332    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6015   -3.8832    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.3159   -3.4708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7436   -4.7082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0292   -4.2957    0.0000 R#  0  0  0  0  0  0  0  0  0  0  0  0
    1.7436   -5.5332    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  7  1  6  0  0  0
  6  8  1  1  0  0  0
  5  9  1  6  0  0  0
  4 10  1  1  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 13 16  1  6  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
  3 20  1  1  0  0  0
 11 21  1  0  0  0  0
 21 24  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
  2 24  1  1  0  0  0
 16 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
M  CHG  1  23  -1
M  RGP  2  18   1  26   2
M  END
> <ID>
CHEBI:74237

> <NAME>
phosphatidylinositol 34:1(1-)

> <DEFINITION>
A 1-phosphatidyl-1D-myo-inositol(1−) in which the acyl groups at C-1 and C-2 contain 34 carbons in total and 1 double bond.

> <STAR>
3

> <SYNONYM>
PI(34:1); PI 34:1; phosphatidylinositol(34:1)

> <FORMULA>
C43H80O13P

> <MASS>
836.063

> <MONOISOTOPIC_MASS>
835.53365

> <CHARGE>
-1

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

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