NP-MRD: Showing NP-Card for CL(20:3(8Z,11Z,14Z)/20:3(5Z,8Z,11Z)/18:2(9Z,12Z)/18:2(9Z,12Z)) (NP0338913)

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Record Information

Version

2.0

Created at

2024-09-11 18:42:23 UTC

Updated at

2024-09-11 18:42:24 UTC

NP-MRD ID

NP0338913

Secondary Accession Numbers

None

Natural Product Identification

Common Name

CL(20:3(8Z,11Z,14Z)/20:3(5Z,8Z,11Z)/18:2(9Z,12Z)/18:2(9Z,12Z))

Description

CL(20:3(8Z,11Z,14Z)/20:3(5Z,8Z,11Z)/18:2(9Z,12Z)/18:2(9Z,12Z)) belongs to the class of organic compounds known as cardiolipins. These are glycerophospholipids in which the O1 and O3 oxygen atoms of the central glycerol moiety are each linked to one 1,2-diacylglycerol chain. Their general formula is OC(COP(O)(=O)OC[C@@H](CO[R1])O[R2])COP(O)(=O)OC[C@@H](CO[R3])O[R4], where R1-R4 are four fatty acyl chains. CL(20:3(8Z,11Z,14Z)/20:3(5Z,8Z,11Z)/18:2(9Z,12Z)/18:2(9Z,12Z)) is an extremely weak basic (essentially neutral) compound (based on its pKa). CL(20:3(8Z,11Z,14Z)/20:3(5Z,8Z,11Z)/18:2(9Z,12Z)/18:2(9Z,12Z)) and cytidine monophosphate can be biosynthesized from PG(20:3(8Z,11Z,14Z)/20:3(5Z,8Z,11Z)) and CDP-DG(18:2(9Z,12Z)/18:2(9Z,12Z)); which is catalyzed by the enzyme cardiolipin synthase. In humans, CL(20:3(8Z,11Z,14Z)/20:3(5Z,8Z,11Z)/18:2(9Z,12Z)/18:2(9Z,12Z)) is involved in cardiolipin biosynthesis. They are highly abundant in metabolically active cells (heart, muscle) and play an important role in the blood clotting process. Cardiolipins (bisphosphatidyl glycerol) are an important component of the inner mitochondrial membrane, where they constitute about 20% of the total lipid. Cardiolipins are a "double" phospholipid because they have four fatty acid tails, instead of the usual two. While most lipids are made in the endoplasmic reticulum, cardiolipin is synthesized on the matrix side of the inner mitochondrial membrane. CL(20:3(8Z,11Z,14Z)/20:3(5Z,8Z,11Z)/18:2(9Z,12Z)/18:2(9Z,12Z)) is a cardiolipin (CL).

Structure

MOL SDF PDB SMILES InChI


  Mrv0541 02251205272D          

106105  0  0  1  0            999 V2000
   18.5625   -2.4829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5625   -1.6579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2770   -1.2454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2770   -0.4204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9914   -0.0079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9914    0.8171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7059    1.2296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7059    2.0546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4204    2.4671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4204    3.2921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1349    3.7046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1349    4.5296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4204    4.9421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4204    5.7671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1349    6.1796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1349    7.0046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.8493    7.4171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.8493    8.2421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5638    8.6546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5638    9.4796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.8493    9.8921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.2783    9.8921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.2783   10.7171    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   23.5638   11.1296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.8493   10.7171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.1349   11.1296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1349   11.9546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.4204   10.7171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7059   11.1296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9914   10.7171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2770   11.1296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5625   10.7171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8480   11.1296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1336   10.7171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4191   11.1296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7046   10.7171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9901   11.1296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2757   10.7171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5612   11.1296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5612   11.9546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2757   12.3671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2757   13.1921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9901   13.6046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9901   14.4296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7046   14.8421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7046   15.6671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.9927   11.1296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.7072   10.7171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.4217   11.1296    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   26.8342   10.4151    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.0092   11.8440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.1362   11.5421    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.8506   11.1296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.5651   11.5421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.5651   12.3671    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.2796   11.1296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.9940   11.5421    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.7085   11.1296    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   30.2960   10.4151    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.1210   11.8440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.4230   10.7171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.1374   11.1296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.8519   10.7171    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   33.5664   11.1296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2809   10.7171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   34.9953   11.1296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.9953   11.9546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   35.7098   10.7171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.4243   11.1296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.1387   10.7171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.8532   11.1296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.5677   10.7171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.2822   11.1296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.9966   10.7171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.7111   11.1296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   30.7085    7.0046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   29.9940    5.7671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.9940    4.9421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.2796    4.5296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   28.5651    3.2921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   29.2796    2.0546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   29.9940    0.8171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.9940   -0.0079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   23.5638   10.3046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   33.5664   10.3046    0.0000 H   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
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
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  9  8  1  4  0  0  0
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M  END


  Mrv0541 02251205272D          

106105  0  0  1  0            999 V2000
   18.5625   -2.4829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5625   -1.6579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2770   -1.2454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2770   -0.4204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9914   -0.0079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9914    0.8171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7059    1.2296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7059    2.0546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4204    2.4671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4204    3.2921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1349    3.7046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1349    4.5296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4204    4.9421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4204    5.7671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   23.5638    9.4796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.8493    9.8921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.2783    9.8921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.2783   10.7171    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   22.8493   10.7171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.1349   11.1296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   19.9914   10.7171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2770   11.1296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5625   10.7171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8480   11.1296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1336   10.7171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4191   11.1296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7046   10.7171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9901   11.1296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2757   10.7171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5612   11.1296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5612   11.9546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2757   12.3671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2757   13.1921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9901   13.6046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9901   14.4296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7046   14.8421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7046   15.6671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.9927   11.1296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.7072   10.7171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.4217   11.1296    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   26.8342   10.4151    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.0092   11.8440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.1362   11.5421    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.8506   11.1296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.5651   11.5421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.5651   12.3671    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.2796   11.1296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.9940   11.5421    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.7085   11.1296    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   30.2960   10.4151    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.1210   11.8440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.4230   10.7171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.1374   11.1296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.8519   10.7171    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   33.5664   11.1296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2809   10.7171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   34.9953   11.1296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.9953   11.9546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   35.7098   10.7171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.4243   11.1296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.1387   10.7171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.8532   11.1296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.5677   10.7171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.2822   11.1296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.9966   10.7171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.7111   11.1296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.4256   10.7171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.1400   11.1296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.8545   10.7171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.5690   11.1296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.2835   10.7171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.2835    9.8921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.9979    9.4796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.9979    8.6546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   45.7124    8.2421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.8519    9.8921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.1374    9.4796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4230    9.8921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.1374    8.6546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4230    8.2421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4230    7.4171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.7085    7.0046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.7085    6.1796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.9940    5.7671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.9940    4.9421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.2796    4.5296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.2796    3.7046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.5651    3.2921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.5651    2.4671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.2796    2.0546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.2796    1.2296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.9940    0.8171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.9940   -0.0079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.7085   -0.4204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.7085   -1.2454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5638   10.3046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   33.5664   10.3046    0.0000 H   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
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9  8  1  4  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 12 11  1  4  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 15 14  1  4  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 23 22  1  6  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 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
 32 33  1  0  0  0  0
 34 33  1  4  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 37 36  1  4  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 40 39  1  4  0  0  0
 40 41  2  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
 45 46  1  0  0  0  0
 23 47  1  0  0  0  0
 47 48  1  0  0  0  0
 48 49  1  0  0  0  0
 49 50  1  0  0  0  0
 49 51  2  0  0  0  0
 49 52  1  0  0  0  0
 52 53  1  0  0  0  0
 53 54  1  0  0  0  0
 54 55  1  0  0  0  0
 54 56  1  0  0  0  0
 56 57  1  0  0  0  0
 57 58  1  0  0  0  0
 58 59  1  0  0  0  0
 58 60  2  0  0  0  0
 58 61  1  0  0  0  0
 61 62  1  0  0  0  0
 62 63  1  0  0  0  0
 63 64  1  0  0  0  0
 64 65  1  0  0  0  0
 65 66  1  0  0  0  0
 66 67  2  0  0  0  0
 66 68  1  0  0  0  0
 68 69  1  0  0  0  0
 69 70  1  0  0  0  0
 70 71  1  0  0  0  0
 71 72  1  0  0  0  0
 72 73  1  0  0  0  0
 73 74  1  0  0  0  0
 75 74  1  4  0  0  0
 75 76  2  0  0  0  0
 76 77  1  0  0  0  0
 78 77  1  4  0  0  0
 78 79  2  0  0  0  0
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 80 81  1  0  0  0  0
 81 82  1  0  0  0  0
 82 83  1  0  0  0  0
 83 84  1  0  0  0  0
 63 85  1  1  0  0  0
 85 86  1  0  0  0  0
 86 87  2  0  0  0  0
 86 88  1  0  0  0  0
 88 89  1  0  0  0  0
 89 90  1  0  0  0  0
 90 91  1  0  0  0  0
 91 92  1  0  0  0  0
 92 93  1  0  0  0  0
 93 94  1  0  0  0  0
 95 94  1  4  0  0  0
 95 96  2  0  0  0  0
 96 97  1  0  0  0  0
 98 97  1  4  0  0  0
 98 99  2  0  0  0  0
 99100  1  0  0  0  0
100101  1  0  0  0  0
101102  1  0  0  0  0
102103  1  0  0  0  0
103104  1  0  0  0  0
 23105  1  1  0  0  0
 63106  1  6  0  0  0
M  END
> <DATABASE_ID>
NP0338913

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H][C@@](COC(=O)CCCCCCCC=CCC=CCCCCC)(COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC=CCC=CCC=CCCCCC)OC(=O)CCCC=CCC=CCC=CCCCCCCCC)OC(=O)CCCCCCCC=CCC=CCCCCC

> <INCHI_IDENTIFIER>
InChI=1S/C85H146O17P2/c1-5-9-13-17-21-25-29-33-37-39-43-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-44-40-38-34-30-26-22-18-14-10-6-2)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3/h21,23-25,27-28,33-38,41-44,46,48,56,60,79-81,86H,5-20,22,26,29-32,39-40,45,47,49-55,57-59,61-78H2,1-4H3,(H,91,92)(H,93,94)/t79?,80-,81-/m1/s1

> <INCHI_KEY>
FEBZNPLAEKQHSG-NYTMHASESA-N

> <FORMULA>
C85H146O17P2

> <MOLECULAR_WEIGHT>
1502.0061

> <EXACT_MASS>
1501.00352627

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_AVERAGE_POLARIZABILITY>
178.05742885593423

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
[3-({[(2R)-2,3-bis(octadeca-9,12-dienoyloxy)propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy][(2R)-2-(icosa-5,8,11-trienoyloxy)-3-(icosa-8,11,14-trienoyloxy)propoxy]phosphinic acid

> <ALOGPS_LOGP>
9.27

> <JCHEM_LOGP>
25.428724474666666

> <ALOGPS_LOGS>
-7.27

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
2.1918043582171283

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.5897376143221367

> <JCHEM_PKA_STRONGEST_BASIC>
-3.4105029523385797

> <JCHEM_POLAR_SURFACE_AREA>
236.94999999999993

> <JCHEM_REFRACTIVITY>
436.47969999999975

> <JCHEM_ROTATABLE_BOND_COUNT>
80

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
8.15e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3-{[(2R)-2,3-bis(octadeca-9,12-dienoyloxy)propoxy(hydroxy)phosphoryl]oxy}-2-hydroxypropoxy(2R)-2-(icosa-5,8,11-trienoyloxy)-3-(icosa-8,11,14-trienoyloxy)propoxyphosphinic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 25-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   25-FEB-12         0                                  
HETATM    1  C   UNK     0      34.650  -4.635   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      34.650  -3.095   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      35.984  -2.325   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      35.984  -0.785   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      37.317  -0.015   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      37.317   1.525   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      38.651   2.295   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      38.651   3.835   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      39.985   4.605   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      39.985   6.145   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      41.318   6.915   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      41.318   8.455   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      39.985   9.225   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      39.985  10.765   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      41.318  11.535   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      41.318  13.075   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      42.652  13.845   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      42.652  15.385   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      43.986  16.155   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      43.986  17.695   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      42.652  18.465   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0      45.319  18.465   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0      45.319  20.005   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      43.986  20.775   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0      42.652  20.005   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0      41.318  20.775   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0      41.318  22.315   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0      39.985  20.005   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      38.651  20.775   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      37.317  20.005   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      35.984  20.775   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      34.650  20.005   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      33.316  20.775   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      31.983  20.005   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      30.649  20.775   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      29.315  20.005   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      27.982  20.775   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      26.648  20.005   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      25.314  20.775   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      25.314  22.315   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      26.648  23.085   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0      26.648  24.625   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0      27.982  25.395   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0      27.982  26.935   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0      29.315  27.705   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0      29.315  29.245   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0      46.653  20.775   0.000  0.00  0.00           C+0
HETATM   48  O   UNK     0      47.987  20.005   0.000  0.00  0.00           O+0
HETATM   49  P   UNK     0      49.321  20.775   0.000  0.00  0.00           P+0
HETATM   50  O   UNK     0      50.091  19.442   0.000  0.00  0.00           O+0
HETATM   51  O   UNK     0      48.551  22.109   0.000  0.00  0.00           O+0
HETATM   52  O   UNK     0      50.654  21.545   0.000  0.00  0.00           O+0
HETATM   53  C   UNK     0      51.988  20.775   0.000  0.00  0.00           C+0
HETATM   54  C   UNK     0      53.322  21.545   0.000  0.00  0.00           C+0
HETATM   55  O   UNK     0      53.322  23.085   0.000  0.00  0.00           O+0
HETATM   56  C   UNK     0      54.655  20.775   0.000  0.00  0.00           C+0
HETATM   57  O   UNK     0      55.989  21.545   0.000  0.00  0.00           O+0
HETATM   58  P   UNK     0      57.323  20.775   0.000  0.00  0.00           P+0
HETATM   59  O   UNK     0      56.553  19.442   0.000  0.00  0.00           O+0
HETATM   60  O   UNK     0      58.093  22.109   0.000  0.00  0.00           O+0
HETATM   61  O   UNK     0      58.656  20.005   0.000  0.00  0.00           O+0
HETATM   62  C   UNK     0      59.990  20.775   0.000  0.00  0.00           C+0
HETATM   63  C   UNK     0      61.324  20.005   0.000  0.00  0.00           C+0
HETATM   64  C   UNK     0      62.657  20.775   0.000  0.00  0.00           C+0
HETATM   65  O   UNK     0      63.991  20.005   0.000  0.00  0.00           O+0
HETATM   66  C   UNK     0      65.325  20.775   0.000  0.00  0.00           C+0
HETATM   67  O   UNK     0      65.325  22.315   0.000  0.00  0.00           O+0
HETATM   68  C   UNK     0      66.658  20.005   0.000  0.00  0.00           C+0
HETATM   69  C   UNK     0      67.992  20.775   0.000  0.00  0.00           C+0
HETATM   70  C   UNK     0      69.326  20.005   0.000  0.00  0.00           C+0
HETATM   71  C   UNK     0      70.659  20.775   0.000  0.00  0.00           C+0
HETATM   72  C   UNK     0      71.993  20.005   0.000  0.00  0.00           C+0
HETATM   73  C   UNK     0      73.327  20.775   0.000  0.00  0.00           C+0
HETATM   74  C   UNK     0      74.660  20.005   0.000  0.00  0.00           C+0
HETATM   75  C   UNK     0      75.994  20.775   0.000  0.00  0.00           C+0
HETATM   76  C   UNK     0      77.328  20.005   0.000  0.00  0.00           C+0
HETATM   77  C   UNK     0      78.661  20.775   0.000  0.00  0.00           C+0
HETATM   78  C   UNK     0      79.995  20.005   0.000  0.00  0.00           C+0
HETATM   79  C   UNK     0      81.329  20.775   0.000  0.00  0.00           C+0
HETATM   80  C   UNK     0      82.663  20.005   0.000  0.00  0.00           C+0
HETATM   81  C   UNK     0      82.663  18.465   0.000  0.00  0.00           C+0
HETATM   82  C   UNK     0      83.996  17.695   0.000  0.00  0.00           C+0
HETATM   83  C   UNK     0      83.996  16.155   0.000  0.00  0.00           C+0
HETATM   84  C   UNK     0      85.330  15.385   0.000  0.00  0.00           C+0
HETATM   85  O   UNK     0      61.324  18.465   0.000  0.00  0.00           O+0
HETATM   86  C   UNK     0      59.990  17.695   0.000  0.00  0.00           C+0
HETATM   87  O   UNK     0      58.656  18.465   0.000  0.00  0.00           O+0
HETATM   88  C   UNK     0      59.990  16.155   0.000  0.00  0.00           C+0
HETATM   89  C   UNK     0      58.656  15.385   0.000  0.00  0.00           C+0
HETATM   90  C   UNK     0      58.656  13.845   0.000  0.00  0.00           C+0
HETATM   91  C   UNK     0      57.323  13.075   0.000  0.00  0.00           C+0
HETATM   92  C   UNK     0      57.323  11.535   0.000  0.00  0.00           C+0
HETATM   93  C   UNK     0      55.989  10.765   0.000  0.00  0.00           C+0
HETATM   94  C   UNK     0      55.989   9.225   0.000  0.00  0.00           C+0
HETATM   95  C   UNK     0      54.655   8.455   0.000  0.00  0.00           C+0
HETATM   96  C   UNK     0      54.655   6.915   0.000  0.00  0.00           C+0
HETATM   97  C   UNK     0      53.322   6.145   0.000  0.00  0.00           C+0
HETATM   98  C   UNK     0      53.322   4.605   0.000  0.00  0.00           C+0
HETATM   99  C   UNK     0      54.655   3.835   0.000  0.00  0.00           C+0
HETATM  100  C   UNK     0      54.655   2.295   0.000  0.00  0.00           C+0
HETATM  101  C   UNK     0      55.989   1.525   0.000  0.00  0.00           C+0
HETATM  102  C   UNK     0      55.989  -0.015   0.000  0.00  0.00           C+0
HETATM  103  C   UNK     0      57.323  -0.785   0.000  0.00  0.00           C+0
HETATM  104  C   UNK     0      57.323  -2.325   0.000  0.00  0.00           C+0
HETATM  105  H   UNK     0      43.986  19.235   0.000  0.00  0.00           H+0
HETATM  106  H   UNK     0      62.657  19.235   0.000  0.00  0.00           H+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20   23                                                       
CONECT   23   22   24   47  105                                             
CONECT   24   23   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   27   28                                                  
CONECT   27   26                                                            
CONECT   28   26   29                                                       
CONECT   29   28   30                                                       
CONECT   30   29   31                                                       
CONECT   31   30   32                                                       
CONECT   32   31   33                                                       
CONECT   33   32   34                                                       
CONECT   34   33   35                                                       
CONECT   35   34   36                                                       
CONECT   36   35   37                                                       
CONECT   37   36   38                                                       
CONECT   38   37   39                                                       
CONECT   39   38   40                                                       
CONECT   40   39   41                                                       
CONECT   41   40   42                                                       
CONECT   42   41   43                                                       
CONECT   43   42   44                                                       
CONECT   44   43   45                                                       
CONECT   45   44   46                                                       
CONECT   46   45                                                            
CONECT   47   23   48                                                       
CONECT   48   47   49                                                       
CONECT   49   48   50   51   52                                             
CONECT   50   49                                                            
CONECT   51   49                                                            
CONECT   52   49   53                                                       
CONECT   53   52   54                                                       
CONECT   54   53   55   56                                                  
CONECT   55   54                                                            
CONECT   56   54   57                                                       
CONECT   57   56   58                                                       
CONECT   58   57   59   60   61                                             
CONECT   59   58                                                            
CONECT   60   58                                                            
CONECT   61   58   62                                                       
CONECT   62   61   63                                                       
CONECT   63   62   64   85  106                                             
CONECT   64   63   65                                                       
CONECT   65   64   66                                                       
CONECT   66   65   67   68                                                  
CONECT   67   66                                                            
CONECT   68   66   69                                                       
CONECT   69   68   70                                                       
CONECT   70   69   71                                                       
CONECT   71   70   72                                                       
CONECT   72   71   73                                                       
CONECT   73   72   74                                                       
CONECT   74   73   75                                                       
CONECT   75   74   76                                                       
CONECT   76   75   77                                                       
CONECT   77   76   78                                                       
CONECT   78   77   79                                                       
CONECT   79   78   80                                                       
CONECT   80   79   81                                                       
CONECT   81   80   82                                                       
CONECT   82   81   83                                                       
CONECT   83   82   84                                                       
CONECT   84   83                                                            
CONECT   85   63   86                                                       
CONECT   86   85   87   88                                                  
CONECT   87   86                                                            
CONECT   88   86   89                                                       
CONECT   89   88   90                                                       
CONECT   90   89   91                                                       
CONECT   91   90   92                                                       
CONECT   92   91   93                                                       
CONECT   93   92   94                                                       
CONECT   94   93   95                                                       
CONECT   95   94   96                                                       
CONECT   96   95   97                                                       
CONECT   97   96   98                                                       
CONECT   98   97   99                                                       
CONECT   99   98  100                                                       
CONECT  100   99  101                                                       
CONECT  101  100  102                                                       
CONECT  102  101  103                                                       
CONECT  103  102  104                                                       
CONECT  104  103                                                            
CONECT  105   23                                                            
CONECT  106   63                                                            
MASTER        0    0    0    0    0    0    0    0  106    0  210    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₈₅H₁₄₆O₁₇P₂

Average Mass

1502.0061 Da

Monoisotopic Mass

1501.00353 Da

IUPAC Name

[3-({[(2R)-2,3-bis(octadeca-9,12-dienoyloxy)propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy][(2R)-2-(icosa-5,8,11-trienoyloxy)-3-(icosa-8,11,14-trienoyloxy)propoxy]phosphinic acid

Traditional Name

3-{[(2R)-2,3-bis(octadeca-9,12-dienoyloxy)propoxy(hydroxy)phosphoryl]oxy}-2-hydroxypropoxy(2R)-2-(icosa-5,8,11-trienoyloxy)-3-(icosa-8,11,14-trienoyloxy)propoxyphosphinic acid

CAS Registry Number

Not Available

SMILES

[H][C@@](COC(=O)CCCCCCCC=CCC=CCCCCC)(COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC=CCC=CCC=CCCCCC)OC(=O)CCCC=CCC=CCC=CCCCCCCCC)OC(=O)CCCCCCCC=CCC=CCCCCC

InChI Identifier

InChI=1S/C85H146O17P2/c1-5-9-13-17-21-25-29-33-37-39-43-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-44-40-38-34-30-26-22-18-14-10-6-2)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3/h21,23-25,27-28,33-38,41-44,46,48,56,60,79-81,86H,5-20,22,26,29-32,39-40,45,47,49-55,57-59,61-78H2,1-4H3,(H,91,92)(H,93,94)/t79?,80-,81-/m1/s1

InChI Key

FEBZNPLAEKQHSG-NYTMHASESA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as cardiolipins. These are glycerophospholipids in which the O1 and O3 oxygen atoms of the central glycerol moiety are each linked to one 1,2-diacylglycerol chain. Their general formula is OC(COP(O)(=O)OC[C@@H](CO[R1])O[R2])COP(O)(=O)OC[C@@H](CO[R3])O[R4], where R1-R4 are four fatty acyl chains.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Glycerophospholipids

Sub Class

Glycerophosphoglycerophosphoglycerols

Direct Parent

Cardiolipins

Alternative Parents

Substituents

Cardiolipin
Tetracarboxylic acid or derivatives
Dialkyl phosphate
Fatty acid ester
Fatty acyl
Alkyl phosphate
Phosphoric acid ester
Organic phosphoric acid derivative
Secondary alcohol
Carboxylic acid ester
Carboxylic acid derivative
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Carbonyl group
Alcohol
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

Not Available

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	9.27	ALOGPS
logP	25.43	ChemAxon
logS	-7.3	ALOGPS
pKa (Strongest Acidic)	1.59	ChemAxon
pKa (Strongest Basic)	-3.4	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	236.95 Å²	ChemAxon
Rotatable Bond Count	80	ChemAxon
Refractivity	436.48 m³·mol⁻¹	ChemAxon
Polarizability	178.06 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB027419

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

Not Available

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Not Available

Showing NP-Card for CL(20:3(8Z,11Z,14Z)/20:3(5Z,8Z,11Z)/18:2(9Z,12Z)/18:2(9Z,12Z)) (NP0338913)

MOL for NP0338913 (CL(20:3(8Z,11Z,14Z)/20:3(5Z,8Z,11Z)/18:2(9Z,12Z)/18:2(9Z,12Z)))

3D MOL for NP0338913 (CL(20:3(8Z,11Z,14Z)/20:3(5Z,8Z,11Z)/18:2(9Z,12Z)/18:2(9Z,12Z)))

3D SDF for NP0338913 (CL(20:3(8Z,11Z,14Z)/20:3(5Z,8Z,11Z)/18:2(9Z,12Z)/18:2(9Z,12Z)))

3D-SDF for NP0338913 (CL(20:3(8Z,11Z,14Z)/20:3(5Z,8Z,11Z)/18:2(9Z,12Z)/18:2(9Z,12Z)))

PDB for NP0338913 (CL(20:3(8Z,11Z,14Z)/20:3(5Z,8Z,11Z)/18:2(9Z,12Z)/18:2(9Z,12Z)))

3D PDB for NP0338913 (CL(20:3(8Z,11Z,14Z)/20:3(5Z,8Z,11Z)/18:2(9Z,12Z)/18:2(9Z,12Z)))

SMILES for NP0338913 (CL(20:3(8Z,11Z,14Z)/20:3(5Z,8Z,11Z)/18:2(9Z,12Z)/18:2(9Z,12Z)))

INCHI for NP0338913 (CL(20:3(8Z,11Z,14Z)/20:3(5Z,8Z,11Z)/18:2(9Z,12Z)/18:2(9Z,12Z)))

Structure for NP0338913 (CL(20:3(8Z,11Z,14Z)/20:3(5Z,8Z,11Z)/18:2(9Z,12Z)/18:2(9Z,12Z)))

3D Structure for NP0338913 (CL(20:3(8Z,11Z,14Z)/20:3(5Z,8Z,11Z)/18:2(9Z,12Z)/18:2(9Z,12Z)))