CDK     0322131536

 36 35  0  0  0  0  0  0  0  0999 V2000
   -4.5964   -0.7071    0.0000 R#  0  0  0  0  0  0  0  0  0  0  0  0
   -3.8820   -0.2946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1675   -0.7071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4530   -0.2946    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.7385   -0.7071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4530    0.5304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1675    0.9429    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1675    1.7679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8820    2.1804    0.0000 R#  0  0  0  0  0  0  0  0  0  0  0  0
   -3.8820    0.5304    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4530    2.1804    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0241   -0.2946    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1991   -0.2946    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    0.6259   -0.2946    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1991    0.5304    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1991   -1.1196    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3404   -0.7071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0549   -0.2946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7693   -0.7071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0549    0.5304    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4838   -0.2946    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3088   -0.2946    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    5.1338   -0.2946    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3088    0.5304    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3088   -1.1196    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8483   -0.7071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5628   -0.2946    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2772   -0.7071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5628    0.5304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8483    0.9429    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8483    1.7679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1338    2.1804    0.0000 R#  0  0  0  0  0  0  0  0  0  0  0  0
    7.9917   -0.2946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7062   -0.7071    0.0000 R#  0  0  0  0  0  0  0  0  0  0  0  0
    7.9917    0.5304    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5628    2.1804    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0 
  2  3  1  0  0  0  0 
  4  3  1  6  0  0  0 
  4  5  1  0  0  0  0 
  4  6  1  0  0  0  0 
  6  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  2 10  2  0  0  0  0 
  8 11  2  0  0  0  0 
  5 12  1  0  0  0  0 
 12 13  1  0  0  0  0 
 13 14  1  0  0  0  0 
 13 15  1  0  0  0  0 
 13 16  2  0  0  0  0 
 14 17  1  0  0  0  0 
 17 18  1  0  0  0  0 
 18 19  1  0  0  0  0 
 18 20  1  0  0  0  0 
 19 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
 22 24  1  0  0  0  0 
 22 25  2  0  0  0  0 
 23 26  1  0  0  0  0 
 26 27  1  0  0  0  0 
 27 28  1  1  0  0  0 
 27 29  1  0  0  0  0 
 29 30  1  0  0  0  0 
 30 31  1  0  0  0  0 
 31 32  1  0  0  0  0 
 28 33  1  0  0  0  0 
 33 34  1  0  0  0  0 
 33 35  2  0  0  0  0 
 31 36  2  0  0  0  0 
M  CHG  1  15  -1
M  CHG  1  24  -1
M  RGP  4   1   2   9   1  32   3  34   4
M  END
> <ID>
CHEBI:72922

> <NAME>
cardiolipin 78:11(2-)

> <DEFINITION>
A cardiolipin(2−) derivative in which the four phosphatidyl acyl groups contain a total of 78 carbons and 11 double bonds.

> <STAR>
2

> <SYNONYM>
CL 78:11

> <FORMULA>
C87H146O17P2

> <MASS>
506.20346

> <MONOISOTOPIC_MASS>
1525.00353

> <CHARGE>
-2

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

> <PUBMED_CITATION>
18373617; 18454555; 18703489

$$$$