NP-MRD: Showing NP-Card for CL(20:2(11Z,14Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z)) (NP0338796)

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Record Information

Version

2.0

Created at

2024-09-11 17:51:00 UTC

Updated at

2024-09-11 17:51:01 UTC

NP-MRD ID

NP0338796

Secondary Accession Numbers

None

Natural Product Identification

Common Name

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

Description

CL(20:2(11Z,14Z)/18:2(9Z,12Z)/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(20:2(11Z,14Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z)) is an extremely weak basic (essentially neutral) compound (based on its pKa). CL(20:2(11Z,14Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z)) and cytidine monophosphate can be biosynthesized from PG(20:2(11Z,14Z)/18:2(9Z,12Z)) and CDP-DG(18:2(9Z,12Z)/18:2(9Z,12Z)) through its interaction with the enzyme cardiolipin synthase. In humans, CL(20:2(11Z,14Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z)) 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(20:2(11Z,14Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z)) 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 02251202182D          

104103  0  0  1  0            999 V2000
   21.7520   18.3335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7520   17.5085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0375   17.0960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0375   16.2710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3230   15.8585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3230   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
   26.0388    3.4835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.0388    2.6585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.7533    2.2460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.7533    1.4210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.4677    1.0085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.4677    0.1835    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
  6  5  1  4  0  0  0
  6  7  2  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
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
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 19 20  1  0  0  0  0
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 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
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 27 30  1  0  0  0  0
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 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
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 24103  1  1  0  0  0
 41104  1  6  0  0  0
M  END


  Mrv0541 02251202182D          

104103  0  0  1  0            999 V2000
   21.7520   18.3335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7520   17.5085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0375   17.0960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0375   16.2710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3230   15.8585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3230   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
   26.0388    3.4835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.0388    2.6585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.7533    2.2460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.7533    1.4210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.4677    1.0085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.4677    0.1835    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
  6  5  1  4  0  0  0
  6  7  2  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
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 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
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 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
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 23 24  1  0  0  0  0
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 25 26  1  0  0  0  0
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 36 37  1  0  0  0  0
 36 38  2  0  0  0  0
 36 39  1  0  0  0  0
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 44 45  2  0  0  0  0
 44 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
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 50 51  1  0  0  0  0
 51 52  1  0  0  0  0
 53 52  1  4  0  0  0
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 54 55  1  0  0  0  0
 56 55  1  4  0  0  0
 56 57  2  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
 60 61  1  0  0  0  0
 61 62  1  0  0  0  0
 41 63  1  1  0  0  0
 63 64  1  0  0  0  0
 64 65  2  0  0  0  0
 64 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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 73 72  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
100101  1  0  0  0  0
101102  1  0  0  0  0
 24103  1  1  0  0  0
 41104  1  6  0  0  0
M  END
> <DATABASE_ID>
NP0338796

> <DATABASE_NAME>
NP-MRD

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

> <INCHI_IDENTIFIER>
InChI=1S/C83H146O17P2/c1-5-9-13-17-21-25-29-33-37-38-42-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-36-32-28-24-20-16-12-8-4)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-45-40-35-31-27-23-19-15-11-7-3)73-93-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h21-28,33-37,39-41,77-79,84H,5-20,29-32,38,42-76H2,1-4H3,(H,89,90)(H,91,92)/t77?,78-,79-/m1/s1

> <INCHI_KEY>
BNYVKGFTNVHVLQ-FIDHOYNDSA-N

> <FORMULA>
C83H146O17P2

> <MOLECULAR_WEIGHT>
1477.9847

> <EXACT_MASS>
1477.00352627

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_AVERAGE_POLARIZABILITY>
176.70444002056564

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

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

> <ALOGPS_LOGP>
9.25

> <JCHEM_LOGP>
25.263430457999995

> <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>
425.0444999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
80

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
7.40e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2R)-2,3-bis(octadeca-9,12-dienoyloxy)propoxy(2-hydroxy-3-{[hydroxy(2R)-3-(icosa-11,14-dienoyloxy)-2-(octadeca-9,12-dienoyloxy)propoxyphosphoryl]oxy}propoxy)phosphinic 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      40.604  34.223   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      40.604  32.683   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      39.270  31.913   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      39.270  30.373   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      37.936  29.603   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      37.936  28.063   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      36.603  27.293   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      36.603  25.753   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      37.936  24.983   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      37.936  23.443   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      39.270  22.673   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      40.604  23.443   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      41.937  22.673   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      43.271  23.443   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      44.605  22.673   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      45.938  23.443   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      47.272  22.673   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      48.606  23.443   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      49.939  22.673   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      51.273  23.443   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      51.273  24.983   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0      52.607  22.673   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0      53.941  23.443   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      55.274  22.673   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      56.608  23.443   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0      57.942  22.673   0.000  0.00  0.00           O+0
HETATM   27  P   UNK     0      59.275  23.443   0.000  0.00  0.00           P+0
HETATM   28  O   UNK     0      60.045  22.109   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0      58.505  24.776   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0      60.609  24.213   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0      61.943  23.443   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      63.276  24.213   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0      63.276  25.753   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0      64.610  23.443   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0      65.944  24.213   0.000  0.00  0.00           O+0
HETATM   36  P   UNK     0      67.277  23.443   0.000  0.00  0.00           P+0
HETATM   37  O   UNK     0      66.507  22.109   0.000  0.00  0.00           O+0
HETATM   38  O   UNK     0      68.047  24.776   0.000  0.00  0.00           O+0
HETATM   39  O   UNK     0      68.611  22.673   0.000  0.00  0.00           O+0
HETATM   40  C   UNK     0      69.945  23.443   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      71.278  22.673   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0      72.612  23.443   0.000  0.00  0.00           C+0
HETATM   43  O   UNK     0      73.946  22.673   0.000  0.00  0.00           O+0
HETATM   44  C   UNK     0      75.279  23.443   0.000  0.00  0.00           C+0
HETATM   45  O   UNK     0      75.279  24.983   0.000  0.00  0.00           O+0
HETATM   46  C   UNK     0      76.613  22.673   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0      77.947  23.443   0.000  0.00  0.00           C+0
HETATM   48  C   UNK     0      79.280  22.673   0.000  0.00  0.00           C+0
HETATM   49  C   UNK     0      80.614  23.443   0.000  0.00  0.00           C+0
HETATM   50  C   UNK     0      81.948  22.673   0.000  0.00  0.00           C+0
HETATM   51  C   UNK     0      83.281  23.443   0.000  0.00  0.00           C+0
HETATM   52  C   UNK     0      84.615  22.673   0.000  0.00  0.00           C+0
HETATM   53  C   UNK     0      85.949  23.443   0.000  0.00  0.00           C+0
HETATM   54  C   UNK     0      87.283  22.673   0.000  0.00  0.00           C+0
HETATM   55  C   UNK     0      88.616  23.443   0.000  0.00  0.00           C+0
HETATM   56  C   UNK     0      88.616  24.983   0.000  0.00  0.00           C+0
HETATM   57  C   UNK     0      89.950  25.753   0.000  0.00  0.00           C+0
HETATM   58  C   UNK     0      89.950  27.293   0.000  0.00  0.00           C+0
HETATM   59  C   UNK     0      91.284  28.063   0.000  0.00  0.00           C+0
HETATM   60  C   UNK     0      91.284  29.603   0.000  0.00  0.00           C+0
HETATM   61  C   UNK     0      92.617  30.373   0.000  0.00  0.00           C+0
HETATM   62  C   UNK     0      92.617  31.913   0.000  0.00  0.00           C+0
HETATM   63  O   UNK     0      71.278  21.133   0.000  0.00  0.00           O+0
HETATM   64  C   UNK     0      69.945  20.363   0.000  0.00  0.00           C+0
HETATM   65  O   UNK     0      68.611  21.133   0.000  0.00  0.00           O+0
HETATM   66  C   UNK     0      69.945  18.823   0.000  0.00  0.00           C+0
HETATM   67  C   UNK     0      68.611  18.053   0.000  0.00  0.00           C+0
HETATM   68  C   UNK     0      68.611  16.513   0.000  0.00  0.00           C+0
HETATM   69  C   UNK     0      67.277  15.743   0.000  0.00  0.00           C+0
HETATM   70  C   UNK     0      67.277  14.203   0.000  0.00  0.00           C+0
HETATM   71  C   UNK     0      65.944  13.433   0.000  0.00  0.00           C+0
HETATM   72  C   UNK     0      65.944  11.893   0.000  0.00  0.00           C+0
HETATM   73  C   UNK     0      64.610  11.123   0.000  0.00  0.00           C+0
HETATM   74  C   UNK     0      64.610   9.583   0.000  0.00  0.00           C+0
HETATM   75  C   UNK     0      63.276   8.813   0.000  0.00  0.00           C+0
HETATM   76  C   UNK     0      63.276   7.273   0.000  0.00  0.00           C+0
HETATM   77  C   UNK     0      64.610   6.503   0.000  0.00  0.00           C+0
HETATM   78  C   UNK     0      64.610   4.963   0.000  0.00  0.00           C+0
HETATM   79  C   UNK     0      65.944   4.193   0.000  0.00  0.00           C+0
HETATM   80  C   UNK     0      65.944   2.653   0.000  0.00  0.00           C+0
HETATM   81  C   UNK     0      67.277   1.883   0.000  0.00  0.00           C+0
HETATM   82  C   UNK     0      67.277   0.343   0.000  0.00  0.00           C+0
HETATM   83  O   UNK     0      55.274  21.133   0.000  0.00  0.00           O+0
HETATM   84  C   UNK     0      53.941  20.363   0.000  0.00  0.00           C+0
HETATM   85  O   UNK     0      52.607  21.133   0.000  0.00  0.00           O+0
HETATM   86  C   UNK     0      53.941  18.823   0.000  0.00  0.00           C+0
HETATM   87  C   UNK     0      52.607  18.053   0.000  0.00  0.00           C+0
HETATM   88  C   UNK     0      52.607  16.513   0.000  0.00  0.00           C+0
HETATM   89  C   UNK     0      51.273  15.743   0.000  0.00  0.00           C+0
HETATM   90  C   UNK     0      51.273  14.203   0.000  0.00  0.00           C+0
HETATM   91  C   UNK     0      49.939  13.433   0.000  0.00  0.00           C+0
HETATM   92  C   UNK     0      49.939  11.893   0.000  0.00  0.00           C+0
HETATM   93  C   UNK     0      48.606  11.123   0.000  0.00  0.00           C+0
HETATM   94  C   UNK     0      48.606   9.583   0.000  0.00  0.00           C+0
HETATM   95  C   UNK     0      47.272   8.813   0.000  0.00  0.00           C+0
HETATM   96  C   UNK     0      47.272   7.273   0.000  0.00  0.00           C+0
HETATM   97  C   UNK     0      48.606   6.503   0.000  0.00  0.00           C+0
HETATM   98  C   UNK     0      48.606   4.963   0.000  0.00  0.00           C+0
HETATM   99  C   UNK     0      49.939   4.193   0.000  0.00  0.00           C+0
HETATM  100  C   UNK     0      49.939   2.653   0.000  0.00  0.00           C+0
HETATM  101  C   UNK     0      51.273   1.883   0.000  0.00  0.00           C+0
HETATM  102  C   UNK     0      51.273   0.343   0.000  0.00  0.00           C+0
HETATM  103  H   UNK     0      56.608  21.903   0.000  0.00  0.00           H+0
HETATM  104  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                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   25   83  103                                             
CONECT   25   24   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   28   29   30                                             
CONECT   28   27                                                            
CONECT   29   27                                                            
CONECT   30   27   31                                                       
CONECT   31   30   32                                                       
CONECT   32   31   33   34                                                  
CONECT   33   32                                                            
CONECT   34   32   35                                                       
CONECT   35   34   36                                                       
CONECT   36   35   37   38   39                                             
CONECT   37   36                                                            
CONECT   38   36                                                            
CONECT   39   36   40                                                       
CONECT   40   39   41                                                       
CONECT   41   40   42   63  104                                             
CONECT   42   41   43                                                       
CONECT   43   42   44                                                       
CONECT   44   43   45   46                                                  
CONECT   45   44                                                            
CONECT   46   44   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   61                                                       
CONECT   61   60   62                                                       
CONECT   62   61                                                            
CONECT   63   41   64                                                       
CONECT   64   63   65   66                                                  
CONECT   65   64                                                            
CONECT   66   64   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   81                                                       
CONECT   81   80   82                                                       
CONECT   82   81                                                            
CONECT   83   24   84                                                       
CONECT   84   83   85   86                                                  
CONECT   85   84                                                            
CONECT   86   84   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  101                                                       
CONECT  101  100  102                                                       
CONECT  102  101                                                            
CONECT  103   24                                                            
CONECT  104   41                                                            
MASTER        0    0    0    0    0    0    0    0  104    0  206    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₈₃H₁₄₆O₁₇P₂

Average Mass

1477.9847 Da

Monoisotopic Mass

1477.00353 Da

IUPAC Name

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

Traditional Name

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

CAS Registry Number

Not Available

SMILES

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

InChI Identifier

InChI=1S/C83H146O17P2/c1-5-9-13-17-21-25-29-33-37-38-42-44-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-36-32-28-24-20-16-12-8-4)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-45-40-35-31-27-23-19-15-11-7-3)73-93-80(85)67-63-59-55-51-47-43-39-34-30-26-22-18-14-10-6-2/h21-28,33-37,39-41,77-79,84H,5-20,29-32,38,42-76H2,1-4H3,(H,89,90)(H,91,92)/t77?,78-,79-/m1/s1

InChI Key

BNYVKGFTNVHVLQ-FIDHOYNDSA-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	9.25	ALOGPS
logP	25.26	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	425.04 m³·mol⁻¹	ChemAxon
Polarizability	176.7 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

FDB027414

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(20:2(11Z,14Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z)) (NP0338796)

MOL for NP0338796 (CL(20:2(11Z,14Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z)))

3D MOL for NP0338796 (CL(20:2(11Z,14Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z)))

3D SDF for NP0338796 (CL(20:2(11Z,14Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z)))

3D-SDF for NP0338796 (CL(20:2(11Z,14Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z)))

PDB for NP0338796 (CL(20:2(11Z,14Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z)))

3D PDB for NP0338796 (CL(20:2(11Z,14Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z)))

SMILES for NP0338796 (CL(20:2(11Z,14Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z)))

INCHI for NP0338796 (CL(20:2(11Z,14Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z)))

Structure for NP0338796 (CL(20:2(11Z,14Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z)))

3D Structure for NP0338796 (CL(20:2(11Z,14Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z)))