Marvin  09201115502D          

 36 35  0  0  0  0            999 V2000
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   -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  RGP  4   1   2   9   1  32   3  34   4
M  END
> <ID>
CHEBI:28494

> <NAME>
cardiolipin

> <DEFINITION>
A phosphatidylglycerol composed of two molecules of phosphatidic acid covalently linked to a molecule of glycerol.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:41403; CHEBI:3411; CHEBI:23037

> <SYNONYM>
DPG; Diphosphatidylglycerol; cardiolipins; CARDIOLIPIN; Cardiolipin; 1',3'-Bis(1,2-diacyl-sn-glycero-3-phospho)-sn-glycerol

> <IUPAC_NAME>
1',3'-bis(1,2-diacyl-sn-glycero-3-phospho)-sn-glycerol

> <FORMULA>
C13H18O17P2R4

> <MASS>
508.21930

> <MONOISOTOPIC_MASS>
508.00192

> <CHARGE>
0

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

> <DRUGBANK_ACCESSION>
DB03429

> <KEGG_COMPOUND_ACCESSION>
C05980

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMGP12010000

> <PDBECHEM_ACCESSION>
CDN

> <WIKIPEDIA_ACCESSION>
Cardiolipin

> <PUBMED_CITATION>
10540156; 11339809; 16341241; 1694860; 17294083; 18515061; 18790112; 19303420; 19962311; 22819940; 2413066; 28458255; 3196084

$$$$