NP-MRD: Showing NP-Card for CL(18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(11Z)/18:1(11Z)) (NP0338934)

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Record Information

Version

2.0

Created at

2024-09-11 18:48:50 UTC

Updated at

2024-09-11 18:48:50 UTC

NP-MRD ID

NP0338934

Secondary Accession Numbers

None

Natural Product Identification

Common Name

CL(18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(11Z)/18:1(11Z))

Description

CL(18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(11Z)/18:1(11Z)) 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(18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(11Z)/18:1(11Z)) is an extremely weak basic (essentially neutral) compound (based on its pKa). CL(18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(11Z)/18:1(11Z)) and cytidine monophosphate can be biosynthesized from PG(18:2(9Z,12Z)/18:2(9Z,12Z)) and CDP-DG(18:1(11Z)/18:1(11Z)); which is catalyzed by the enzyme cardiolipin synthase. In humans, CL(18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(11Z)/18:1(11Z)) is involved in cardiolipin biosynthesis. While most lipids are made in the endoplasmic reticulum, cardiolipin is synthesized on the matrix side of the inner mitochondrial membrane. They are highly abundant in metabolically active cells (heart, muscle) and play an important role in the blood clotting process. CL(18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(11Z)/18:1(11Z)) is a cardiolipin (CL). 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.

Structure

MOL SDF PDB SMILES InChI


  Mrv0541 02251205592D          

102101  0  0  1  0            999 V2000
   18.1796   17.0960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1796   16.2710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8941   15.8585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8941   15.0335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6086   14.6210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6086   13.7960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3230   13.3835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3230   12.5585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0375   12.1460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7520   12.5585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4664   12.1460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1809   12.5585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.8954   12.1460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.6099   12.5585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3243   12.1460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.0388   12.5585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.7533   12.1460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.4677   12.5585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.4677   13.3835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.1822   12.1460    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.8967   12.5585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.6112   12.1460    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   30.3256   12.5585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.0401   12.1460    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.7546   12.5585    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   32.1671   11.8440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.3421   13.2730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4690   12.9710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.1835   12.5585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.8980   12.9710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.8980   13.7960    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   34.6124   12.5585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.3269   12.9710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   36.0414   12.5585    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   35.6289   11.8440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   36.4539   13.2730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   36.7559   12.1460    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   37.4703   12.5585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.1848   12.1460    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   38.8993   12.5585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.6137   12.1460    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   40.3282   12.5585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.3282   13.3835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   41.0427   12.1460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.7572   12.5585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.4716   12.1460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.1861   12.5585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.9006   12.1460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.6150   12.5585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   45.3295   12.1460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   46.0440   12.5585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   46.7585   12.1460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   47.4729   12.5585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   47.4729   13.3835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   48.1874   13.7960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   48.1874   14.6210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   48.9019   15.0335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   48.9019   15.8585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   49.6163   16.2710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   49.6163   17.0960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.1848   11.3210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   37.4703   10.9085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.7559   11.3210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   37.4703   10.0835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.7559    9.6710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.7559    8.8460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.0414    8.4335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.0414    7.6085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.3269    7.1960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.3269    6.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.6124    5.9585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.6124    5.1335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.8980    4.7210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.8980    3.8960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.6124    3.4835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.6124    2.6585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.3269    2.2460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.3269    1.4210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.0414    1.0085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.0414    0.1835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.6112   11.3210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.8967   10.9085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   28.8967   10.0835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   28.1822    8.8460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.4677    8.4335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.4677    7.6085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.7533    7.1960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.7533    6.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.0388    5.9585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.0388    5.1335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3243    4.7210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3243    3.8960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.6099    3.4835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.8954    3.8960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1809    3.4835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4664    3.8960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7520    3.4835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0375    3.8960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3257   11.7335    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   38.8993   11.7335    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
  7  6  1  4  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
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 13 14  1  0  0  0  0
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M  END


  Mrv0541 02251205592D          

102101  0  0  1  0            999 V2000
   18.1796   17.0960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1796   16.2710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8941   15.8585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8941   15.0335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6086   14.6210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6086   13.7960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3230   13.3835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3230   12.5585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0375   12.1460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7520   12.5585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4664   12.1460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1809   12.5585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.8954   12.1460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.6099   12.5585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3243   12.1460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.0388   12.5585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.7533   12.1460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.4677   12.5585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.4677   13.3835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.1822   12.1460    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.8967   12.5585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.6112   12.1460    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   30.3256   12.5585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.0401   12.1460    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.7546   12.5585    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   32.1671   11.8440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.3421   13.2730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4690   12.9710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.1835   12.5585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.8980   12.9710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.8980   13.7960    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   34.6124   12.5585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.3269   12.9710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   36.0414   12.5585    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   35.6289   11.8440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   36.4539   13.2730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   36.7559   12.1460    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   37.4703   12.5585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.1848   12.1460    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   38.8993   12.5585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.6137   12.1460    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   40.3282   12.5585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.3282   13.3835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   41.0427   12.1460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.7572   12.5585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.4716   12.1460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.1861   12.5585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.9006   12.1460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.6150   12.5585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   45.3295   12.1460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   46.0440   12.5585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   46.7585   12.1460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   47.4729   12.5585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   47.4729   13.3835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   48.1874   13.7960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   48.1874   14.6210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   48.9019   15.0335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   48.9019   15.8585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   49.6163   16.2710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   49.6163   17.0960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.1848   11.3210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   37.4703   10.9085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.7559   11.3210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   37.4703   10.0835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.7559    9.6710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.7559    8.8460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.0414    8.4335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.0414    7.6085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.3269    7.1960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.3269    6.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.6124    5.9585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.6124    5.1335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.8980    4.7210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.8980    3.8960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.6124    3.4835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.6124    2.6585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.3269    2.2460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.3269    1.4210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.0414    1.0085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.0414    0.1835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.6112   11.3210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.8967   10.9085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.1822   11.3210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.8967   10.0835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.1822    9.6710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.1822    8.8460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.4677    8.4335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.4677    7.6085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.7533    7.1960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.7533    6.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.0388    5.9585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.0388    5.1335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3243    4.7210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3243    3.8960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.6099    3.4835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.8954    3.8960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1809    3.4835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4664    3.8960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7520    3.4835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0375    3.8960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3257   11.7335    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   38.8993   11.7335    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
  7  6  1  4  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  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
 15 16  1  0  0  0  0
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 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
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 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 25 28  1  0  0  0  0
 28 29  1  0  0  0  0
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 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
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 34 35  1  0  0  0  0
 34 36  2  0  0  0  0
 34 37  1  0  0  0  0
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 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
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 42 43  2  0  0  0  0
 42 44  1  0  0  0  0
 44 45  1  0  0  0  0
 45 46  1  0  0  0  0
 46 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
 51 50  1  4  0  0  0
 51 52  2  0  0  0  0
 52 53  1  0  0  0  0
 54 53  1  4  0  0  0
 54 55  2  0  0  0  0
 55 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
 59 60  1  0  0  0  0
 39 61  1  1  0  0  0
 61 62  1  0  0  0  0
 62 63  2  0  0  0  0
 62 64  1  0  0  0  0
 64 65  1  0  0  0  0
 65 66  1  0  0  0  0
 66 67  1  0  0  0  0
 67 68  1  0  0  0  0
 68 69  1  0  0  0  0
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 71 70  1  4  0  0  0
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 91 92  1  0  0  0  0
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 98 99  1  0  0  0  0
 99100  1  0  0  0  0
 22101  1  1  0  0  0
 39102  1  6  0  0  0
M  END
> <DATABASE_ID>
NP0338934

> <DATABASE_NAME>
NP-MRD

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

> <INCHI_IDENTIFIER>
InChI=1S/C81H146O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h21,23,25-28,30,32-33,35,37,39,75-77,82H,5-20,22,24,29,31,34,36,38,40-74H2,1-4H3,(H,87,88)(H,89,90)/t75?,76-,77-/m1/s1

> <INCHI_KEY>
XJRSYDYSOAUFKR-GXYAQEMJSA-N

> <FORMULA>
C81H146O17P2

> <MOLECULAR_WEIGHT>
1453.9633

> <EXACT_MASS>
1453.00352627

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_AVERAGE_POLARIZABILITY>
175.68165423599285

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
[3-({[(2R)-2,3-bis(octadec-11-enoyloxy)propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy][(2R)-2,3-bis(octadeca-9,12-dienoyloxy)propoxy]phosphinic acid

> <ALOGPS_LOGP>
9.16

> <JCHEM_LOGP>
25.09813644133333

> <ALOGPS_LOGS>
-7.30

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
2.191804358217231

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.589737614322373

> <JCHEM_PKA_STRONGEST_BASIC>
-3.4105029523385797

> <JCHEM_POLAR_SURFACE_AREA>
236.94999999999996

> <JCHEM_REFRACTIVITY>
413.6092999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
80

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
7.25e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3-{[(2R)-2,3-bis(octadec-11-enoyloxy)propoxy(hydroxy)phosphoryl]oxy}-2-hydroxypropoxy(2R)-2,3-bis(octadeca-9,12-dienoyloxy)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      33.935  31.913   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      33.935  30.373   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      35.269  29.603   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      35.269  28.063   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      36.603  27.293   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      36.603  25.753   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      37.936  24.983   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      37.936  23.443   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      39.270  22.673   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      40.604  23.443   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      41.937  22.673   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      43.271  23.443   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      44.605  22.673   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      45.938  23.443   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      47.272  22.673   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      48.606  23.443   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      49.939  22.673   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      51.273  23.443   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      51.273  24.983   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0      52.607  22.673   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0      53.941  23.443   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      55.274  22.673   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      56.608  23.443   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0      57.942  22.673   0.000  0.00  0.00           O+0
HETATM   25  P   UNK     0      59.275  23.443   0.000  0.00  0.00           P+0
HETATM   26  O   UNK     0      60.045  22.109   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0      58.505  24.776   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0      60.609  24.213   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0      61.943  23.443   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      63.276  24.213   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0      63.276  25.753   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0      64.610  23.443   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0      65.944  24.213   0.000  0.00  0.00           O+0
HETATM   34  P   UNK     0      67.277  23.443   0.000  0.00  0.00           P+0
HETATM   35  O   UNK     0      66.507  22.109   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0      68.047  24.776   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0      68.611  22.673   0.000  0.00  0.00           O+0
HETATM   38  C   UNK     0      69.945  23.443   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      71.278  22.673   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      72.612  23.443   0.000  0.00  0.00           C+0
HETATM   41  O   UNK     0      73.946  22.673   0.000  0.00  0.00           O+0
HETATM   42  C   UNK     0      75.279  23.443   0.000  0.00  0.00           C+0
HETATM   43  O   UNK     0      75.279  24.983   0.000  0.00  0.00           O+0
HETATM   44  C   UNK     0      76.613  22.673   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0      77.947  23.443   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0      79.280  22.673   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0      80.614  23.443   0.000  0.00  0.00           C+0
HETATM   48  C   UNK     0      81.948  22.673   0.000  0.00  0.00           C+0
HETATM   49  C   UNK     0      83.281  23.443   0.000  0.00  0.00           C+0
HETATM   50  C   UNK     0      84.615  22.673   0.000  0.00  0.00           C+0
HETATM   51  C   UNK     0      85.949  23.443   0.000  0.00  0.00           C+0
HETATM   52  C   UNK     0      87.283  22.673   0.000  0.00  0.00           C+0
HETATM   53  C   UNK     0      88.616  23.443   0.000  0.00  0.00           C+0
HETATM   54  C   UNK     0      88.616  24.983   0.000  0.00  0.00           C+0
HETATM   55  C   UNK     0      89.950  25.753   0.000  0.00  0.00           C+0
HETATM   56  C   UNK     0      89.950  27.293   0.000  0.00  0.00           C+0
HETATM   57  C   UNK     0      91.284  28.063   0.000  0.00  0.00           C+0
HETATM   58  C   UNK     0      91.284  29.603   0.000  0.00  0.00           C+0
HETATM   59  C   UNK     0      92.617  30.373   0.000  0.00  0.00           C+0
HETATM   60  C   UNK     0      92.617  31.913   0.000  0.00  0.00           C+0
HETATM   61  O   UNK     0      71.278  21.133   0.000  0.00  0.00           O+0
HETATM   62  C   UNK     0      69.945  20.363   0.000  0.00  0.00           C+0
HETATM   63  O   UNK     0      68.611  21.133   0.000  0.00  0.00           O+0
HETATM   64  C   UNK     0      69.945  18.823   0.000  0.00  0.00           C+0
HETATM   65  C   UNK     0      68.611  18.053   0.000  0.00  0.00           C+0
HETATM   66  C   UNK     0      68.611  16.513   0.000  0.00  0.00           C+0
HETATM   67  C   UNK     0      67.277  15.743   0.000  0.00  0.00           C+0
HETATM   68  C   UNK     0      67.277  14.203   0.000  0.00  0.00           C+0
HETATM   69  C   UNK     0      65.944  13.433   0.000  0.00  0.00           C+0
HETATM   70  C   UNK     0      65.944  11.893   0.000  0.00  0.00           C+0
HETATM   71  C   UNK     0      64.610  11.123   0.000  0.00  0.00           C+0
HETATM   72  C   UNK     0      64.610   9.583   0.000  0.00  0.00           C+0
HETATM   73  C   UNK     0      63.276   8.813   0.000  0.00  0.00           C+0
HETATM   74  C   UNK     0      63.276   7.273   0.000  0.00  0.00           C+0
HETATM   75  C   UNK     0      64.610   6.503   0.000  0.00  0.00           C+0
HETATM   76  C   UNK     0      64.610   4.963   0.000  0.00  0.00           C+0
HETATM   77  C   UNK     0      65.944   4.193   0.000  0.00  0.00           C+0
HETATM   78  C   UNK     0      65.944   2.653   0.000  0.00  0.00           C+0
HETATM   79  C   UNK     0      67.277   1.883   0.000  0.00  0.00           C+0
HETATM   80  C   UNK     0      67.277   0.343   0.000  0.00  0.00           C+0
HETATM   81  O   UNK     0      55.274  21.133   0.000  0.00  0.00           O+0
HETATM   82  C   UNK     0      53.941  20.363   0.000  0.00  0.00           C+0
HETATM   83  O   UNK     0      52.607  21.133   0.000  0.00  0.00           O+0
HETATM   84  C   UNK     0      53.941  18.823   0.000  0.00  0.00           C+0
HETATM   85  C   UNK     0      52.607  18.053   0.000  0.00  0.00           C+0
HETATM   86  C   UNK     0      52.607  16.513   0.000  0.00  0.00           C+0
HETATM   87  C   UNK     0      51.273  15.743   0.000  0.00  0.00           C+0
HETATM   88  C   UNK     0      51.273  14.203   0.000  0.00  0.00           C+0
HETATM   89  C   UNK     0      49.939  13.433   0.000  0.00  0.00           C+0
HETATM   90  C   UNK     0      49.939  11.893   0.000  0.00  0.00           C+0
HETATM   91  C   UNK     0      48.606  11.123   0.000  0.00  0.00           C+0
HETATM   92  C   UNK     0      48.606   9.583   0.000  0.00  0.00           C+0
HETATM   93  C   UNK     0      47.272   8.813   0.000  0.00  0.00           C+0
HETATM   94  C   UNK     0      47.272   7.273   0.000  0.00  0.00           C+0
HETATM   95  C   UNK     0      45.938   6.503   0.000  0.00  0.00           C+0
HETATM   96  C   UNK     0      44.605   7.273   0.000  0.00  0.00           C+0
HETATM   97  C   UNK     0      43.271   6.503   0.000  0.00  0.00           C+0
HETATM   98  C   UNK     0      41.937   7.273   0.000  0.00  0.00           C+0
HETATM   99  C   UNK     0      40.604   6.503   0.000  0.00  0.00           C+0
HETATM  100  C   UNK     0      39.270   7.273   0.000  0.00  0.00           C+0
HETATM  101  H   UNK     0      56.608  21.903   0.000  0.00  0.00           H+0
HETATM  102  H   UNK     0      72.612  21.903   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   20                                                  
CONECT   19   18                                                            
CONECT   20   18   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23   81  101                                             
CONECT   23   22   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24   26   27   28                                             
CONECT   26   25                                                            
CONECT   27   25                                                            
CONECT   28   25   29                                                       
CONECT   29   28   30                                                       
CONECT   30   29   31   32                                                  
CONECT   31   30                                                            
CONECT   32   30   33                                                       
CONECT   33   32   34                                                       
CONECT   34   33   35   36   37                                             
CONECT   35   34                                                            
CONECT   36   34                                                            
CONECT   37   34   38                                                       
CONECT   38   37   39                                                       
CONECT   39   38   40   61  102                                             
CONECT   40   39   41                                                       
CONECT   41   40   42                                                       
CONECT   42   41   43   44                                                  
CONECT   43   42                                                            
CONECT   44   42   45                                                       
CONECT   45   44   46                                                       
CONECT   46   45   47                                                       
CONECT   47   46   48                                                       
CONECT   48   47   49                                                       
CONECT   49   48   50                                                       
CONECT   50   49   51                                                       
CONECT   51   50   52                                                       
CONECT   52   51   53                                                       
CONECT   53   52   54                                                       
CONECT   54   53   55                                                       
CONECT   55   54   56                                                       
CONECT   56   55   57                                                       
CONECT   57   56   58                                                       
CONECT   58   57   59                                                       
CONECT   59   58   60                                                       
CONECT   60   59                                                            
CONECT   61   39   62                                                       
CONECT   62   61   63   64                                                  
CONECT   63   62                                                            
CONECT   64   62   65                                                       
CONECT   65   64   66                                                       
CONECT   66   65   67                                                       
CONECT   67   66   68                                                       
CONECT   68   67   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                                                            
CONECT   81   22   82                                                       
CONECT   82   81   83   84                                                  
CONECT   83   82                                                            
CONECT   84   82   85                                                       
CONECT   85   84   86                                                       
CONECT   86   85   87                                                       
CONECT   87   86   88                                                       
CONECT   88   87   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                                                            
CONECT  101   22                                                            
CONECT  102   39                                                            
MASTER        0    0    0    0    0    0    0    0  102    0  202    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₈₁H₁₄₆O₁₇P₂

Average Mass

1453.9633 Da

Monoisotopic Mass

1453.00353 Da

IUPAC Name

[3-({[(2R)-2,3-bis(octadec-11-enoyloxy)propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy][(2R)-2,3-bis(octadeca-9,12-dienoyloxy)propoxy]phosphinic acid

Traditional Name

3-{[(2R)-2,3-bis(octadec-11-enoyloxy)propoxy(hydroxy)phosphoryl]oxy}-2-hydroxypropoxy(2R)-2,3-bis(octadeca-9,12-dienoyloxy)propoxyphosphinic acid

CAS Registry Number

Not Available

SMILES

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

InChI Identifier

InChI=1S/C81H146O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h21,23,25-28,30,32-33,35,37,39,75-77,82H,5-20,22,24,29,31,34,36,38,40-74H2,1-4H3,(H,87,88)(H,89,90)/t75?,76-,77-/m1/s1

InChI Key

XJRSYDYSOAUFKR-GXYAQEMJSA-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	9.16	ALOGPS
logP	25.1	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	413.61 m³·mol⁻¹	ChemAxon
Polarizability	175.68 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

FDB027390

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(18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(11Z)/18:1(11Z)) (NP0338934)

MOL for NP0338934 (CL(18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(11Z)/18:1(11Z)))

3D MOL for NP0338934 (CL(18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(11Z)/18:1(11Z)))

3D SDF for NP0338934 (CL(18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(11Z)/18:1(11Z)))

3D-SDF for NP0338934 (CL(18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(11Z)/18:1(11Z)))

PDB for NP0338934 (CL(18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(11Z)/18:1(11Z)))

3D PDB for NP0338934 (CL(18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(11Z)/18:1(11Z)))

SMILES for NP0338934 (CL(18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(11Z)/18:1(11Z)))

INCHI for NP0338934 (CL(18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(11Z)/18:1(11Z)))

Structure for NP0338934 (CL(18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(11Z)/18:1(11Z)))

3D Structure for NP0338934 (CL(18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(11Z)/18:1(11Z)))