NP-MRD: Showing NP-Card for CL(20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z)) (NP0338866)

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Record Information

Version

2.0

Created at

2024-09-11 18:22:30 UTC

Updated at

2024-09-11 18:22:30 UTC

NP-MRD ID

NP0338866

Secondary Accession Numbers

None

Natural Product Identification

Common Name

CL(20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z))

Description

CL(20:4(5Z,8Z,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(20:4(5Z,8Z,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(20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z)) and cytidine monophosphate can be biosynthesized from PG(20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z)) and CDP-DG(18:2(9Z,12Z)/18:2(9Z,12Z)); which is mediated by the enzyme cardiolipin synthase. In humans, CL(20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z)/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. CL(20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z)) is a cardiolipin (CL). While most lipids are made in the endoplasmic reticulum, cardiolipin is synthesized on the matrix side of the inner mitochondrial membrane.

Structure

MOL SDF PDB SMILES InChI


  Mrv0541 02251204222D          

104103  0  0  1  0            999 V2000
    3.5661   17.2918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9406   16.5567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4912   15.8648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8657   15.1297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4163   14.4378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7908   13.7027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3414   13.0108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7159   12.2757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5398   12.2325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9143   11.4974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7381   11.4541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1875   12.1460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0114   12.1028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4607   12.7946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2846   12.7514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7340   13.4433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5579   13.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0072   14.0919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6328   14.8270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8311   14.0486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2805   14.7405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1044   14.6973    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.5537   15.3891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3776   15.3459    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8270   16.0378    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   14.5189   15.5884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1351   16.4871    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2764   16.7296    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1002   16.6864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5496   17.3783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1751   18.1134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3735   17.3350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8229   18.0269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.6467   17.9836    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   17.6035   17.1598    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.6900   18.8075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.4706   17.9404    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.9200   18.6323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7438   18.5890    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   20.1932   19.2809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0171   19.2377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.4665   19.9295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0920   20.6646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.2903   19.8863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7397   20.5781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5636   20.5349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0130   21.2268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8368   21.1835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2862   21.8754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.9117   22.6105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3611   23.3024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.9866   24.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4360   24.7294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.2599   24.6861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.7093   25.3780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.3348   26.1131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.7841   26.8050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.4097   27.5401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.8590   28.2319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.4846   28.9670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.9339   29.6589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.5595   30.3940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1183   17.8539    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.6689   17.1620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8451   17.2053    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.0434   16.4269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5940   15.7351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9685   15.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5191   14.3081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8936   13.5730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4443   12.8811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8187   12.1460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3694   11.4541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7438   10.7190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2945   10.0272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6689    9.2921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4928    9.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8673    8.5137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6912    8.4705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0656    7.7353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.8895    7.6921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2640    6.9570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4788   13.9622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0295   13.2703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2056   13.3135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.9546   11.8433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3290   11.1082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8797   10.4163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2541    9.6812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8048    8.9894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1793    8.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7299    7.5624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1044    6.8273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6550    6.1354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0295    5.4003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8533    5.3571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2278    4.6219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0517    4.5787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4262    3.8436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2500    3.8003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6245    3.0652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9283   14.6540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.5677   18.5458    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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 22103  1  1  0  0  0
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M  END


  Mrv0541 02251204222D          

104103  0  0  1  0            999 V2000
    3.5661   17.2918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9406   16.5567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4912   15.8648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8657   15.1297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4163   14.4378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7908   13.7027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3414   13.0108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7159   12.2757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5398   12.2325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9143   11.4974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7381   11.4541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1875   12.1460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0114   12.1028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4607   12.7946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2846   12.7514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7340   13.4433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5579   13.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0072   14.0919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6328   14.8270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8311   14.0486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2805   14.7405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1044   14.6973    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.5537   15.3891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3776   15.3459    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8270   16.0378    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   14.5189   15.5884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1351   16.4871    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2764   16.7296    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1002   16.6864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5496   17.3783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1751   18.1134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3735   17.3350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8229   18.0269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.6467   17.9836    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   17.6035   17.1598    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.6900   18.8075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.4706   17.9404    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.9200   18.6323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7438   18.5890    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   20.1932   19.2809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0171   19.2377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.4665   19.9295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0920   20.6646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.2903   19.8863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7397   20.5781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5636   20.5349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0130   21.2268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8368   21.1835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2862   21.8754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.9117   22.6105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3611   23.3024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.9866   24.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4360   24.7294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.2599   24.6861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.7093   25.3780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.3348   26.1131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.7841   26.8050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.4097   27.5401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.8590   28.2319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.4846   28.9670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.9339   29.6589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.5595   30.3940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1183   17.8539    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.6689   17.1620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8451   17.2053    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.0434   16.4269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5940   15.7351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9685   15.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5191   14.3081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8936   13.5730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4443   12.8811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8187   12.1460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3694   11.4541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7438   10.7190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2945   10.0272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6689    9.2921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4928    9.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8673    8.5137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6912    8.4705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0656    7.7353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.8895    7.6921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2640    6.9570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4788   13.9622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0295   13.2703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2056   13.3135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4039   12.5352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9546   11.8433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3290   11.1082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8797   10.4163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2541    9.6812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8048    8.9894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1793    8.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7299    7.5624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1044    6.8273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6550    6.1354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0295    5.4003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8533    5.3571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2278    4.6219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0517    4.5787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4262    3.8436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2500    3.8003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6245    3.0652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9283   14.6540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.5677   18.5458    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
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 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
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 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 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
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 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
 47 46  1  4  0  0  0
 47 48  2  0  0  0  0
 48 49  1  0  0  0  0
 50 49  1  4  0  0  0
 50 51  2  0  0  0  0
 51 52  1  0  0  0  0
 53 52  1  4  0  0  0
 53 54  2  0  0  0  0
 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
 39 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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 70 71  1  0  0  0  0
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 73 72  1  4  0  0  0
 73 74  2  0  0  0  0
 74 75  1  0  0  0  0
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 22 83  1  6  0  0  0
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 84 86  1  0  0  0  0
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 87 88  1  0  0  0  0
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 90 91  1  0  0  0  0
 91 92  1  0  0  0  0
 93 92  1  4  0  0  0
 93 94  2  0  0  0  0
 94 95  1  0  0  0  0
 96 95  1  4  0  0  0
 96 97  2  0  0  0  0
 97 98  1  0  0  0  0
 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
 22103  1  1  0  0  0
 39104  1  6  0  0  0
M  END
> <DATABASE_ID>
NP0338866

> <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)CCCC=CCC=CCC=CCC=CCCCCC)OC(=O)CCCCCCCC=CCC=CCCCCC)OC(=O)CCCCCCCC=CCC=CCCCCC

> <INCHI_IDENTIFIER>
InChI=1S/C83H142O17P2/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/h21-28,33-37,39-42,44,52,56,77-79,84H,5-20,29-32,38,43,45-51,53-55,57-76H2,1-4H3,(H,89,90)(H,91,92)/t77?,78-,79-/m1/s1

> <INCHI_KEY>
SYNXSZYAORKNPA-FIDHOYNDSA-N

> <FORMULA>
C83H142O17P2

> <MOLECULAR_WEIGHT>
1473.9529

> <EXACT_MASS>
1472.972226142

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_AVERAGE_POLARIZABILITY>
172.86541639952065

> <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)-3-(icosa-5,8,11,14-tetraenoyloxy)-2-(octadeca-9,12-dienoyloxy)propoxy]phosphinic acid

> <ALOGPS_LOGP>
9.19

> <JCHEM_LOGP>
24.53958714466667

> <ALOGPS_LOGS>
-7.27

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
2.191804358217161

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.589737614322165

> <JCHEM_PKA_STRONGEST_BASIC>
-3.4105029523385797

> <JCHEM_POLAR_SURFACE_AREA>
236.94999999999996

> <JCHEM_REFRACTIVITY>
427.2776999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
78

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
7.85e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3-{[(2R)-2,3-bis(octadeca-9,12-dienoyloxy)propoxy(hydroxy)phosphoryl]oxy}-2-hydroxypropoxy(2R)-3-(icosa-5,8,11,14-tetraenoyloxy)-2-(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       6.657  32.278   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       7.356  30.906   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       6.517  29.614   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       7.216  28.242   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       6.377  26.951   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       7.076  25.578   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       6.237  24.287   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       6.936  22.915   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       8.474  22.834   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       9.173  21.462   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      10.711  21.381   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      11.550  22.673   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      13.088  22.592   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      13.927  23.883   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      15.465  23.803   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      16.303  25.094   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      17.841  25.013   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      18.680  26.305   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      17.981  27.677   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0      20.218  26.224   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0      21.057  27.516   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      22.595  27.435   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      23.434  28.726   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0      24.972  28.646   0.000  0.00  0.00           O+0
HETATM   25  P   UNK     0      25.810  29.937   0.000  0.00  0.00           P+0
HETATM   26  O   UNK     0      27.102  29.098   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0      24.519  30.776   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0      26.649  31.229   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0      28.187  31.148   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      29.026  32.439   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0      28.327  33.812   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0      30.564  32.359   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0      31.403  33.650   0.000  0.00  0.00           O+0
HETATM   34  P   UNK     0      32.941  33.569   0.000  0.00  0.00           P+0
HETATM   35  O   UNK     0      32.860  32.032   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0      33.021  35.107   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0      34.478  33.489   0.000  0.00  0.00           O+0
HETATM   38  C   UNK     0      35.317  34.780   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      36.855  34.699   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      37.694  35.991   0.000  0.00  0.00           C+0
HETATM   41  O   UNK     0      39.232  35.910   0.000  0.00  0.00           O+0
HETATM   42  C   UNK     0      40.071  37.202   0.000  0.00  0.00           C+0
HETATM   43  O   UNK     0      39.372  38.574   0.000  0.00  0.00           O+0
HETATM   44  C   UNK     0      41.609  37.121   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0      42.447  38.412   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0      43.985  38.332   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0      44.824  39.623   0.000  0.00  0.00           C+0
HETATM   48  C   UNK     0      46.362  39.543   0.000  0.00  0.00           C+0
HETATM   49  C   UNK     0      47.201  40.834   0.000  0.00  0.00           C+0
HETATM   50  C   UNK     0      46.502  42.206   0.000  0.00  0.00           C+0
HETATM   51  C   UNK     0      47.341  43.498   0.000  0.00  0.00           C+0
HETATM   52  C   UNK     0      46.642  44.870   0.000  0.00  0.00           C+0
HETATM   53  C   UNK     0      47.481  46.162   0.000  0.00  0.00           C+0
HETATM   54  C   UNK     0      49.018  46.081   0.000  0.00  0.00           C+0
HETATM   55  C   UNK     0      49.857  47.372   0.000  0.00  0.00           C+0
HETATM   56  C   UNK     0      49.158  48.744   0.000  0.00  0.00           C+0
HETATM   57  C   UNK     0      49.997  50.036   0.000  0.00  0.00           C+0
HETATM   58  C   UNK     0      49.298  51.408   0.000  0.00  0.00           C+0
HETATM   59  C   UNK     0      50.137  52.700   0.000  0.00  0.00           C+0
HETATM   60  C   UNK     0      49.438  54.072   0.000  0.00  0.00           C+0
HETATM   61  C   UNK     0      50.277  55.363   0.000  0.00  0.00           C+0
HETATM   62  C   UNK     0      49.578  56.735   0.000  0.00  0.00           C+0
HETATM   63  O   UNK     0      37.554  33.327   0.000  0.00  0.00           O+0
HETATM   64  C   UNK     0      36.715  32.036   0.000  0.00  0.00           C+0
HETATM   65  O   UNK     0      35.178  32.117   0.000  0.00  0.00           O+0
HETATM   66  C   UNK     0      37.414  30.664   0.000  0.00  0.00           C+0
HETATM   67  C   UNK     0      36.575  29.372   0.000  0.00  0.00           C+0
HETATM   68  C   UNK     0      37.275  28.000   0.000  0.00  0.00           C+0
HETATM   69  C   UNK     0      36.436  26.708   0.000  0.00  0.00           C+0
HETATM   70  C   UNK     0      37.135  25.336   0.000  0.00  0.00           C+0
HETATM   71  C   UNK     0      36.296  24.045   0.000  0.00  0.00           C+0
HETATM   72  C   UNK     0      36.995  22.673   0.000  0.00  0.00           C+0
HETATM   73  C   UNK     0      36.156  21.381   0.000  0.00  0.00           C+0
HETATM   74  C   UNK     0      36.855  20.009   0.000  0.00  0.00           C+0
HETATM   75  C   UNK     0      36.016  18.717   0.000  0.00  0.00           C+0
HETATM   76  C   UNK     0      36.715  17.345   0.000  0.00  0.00           C+0
HETATM   77  C   UNK     0      38.253  17.264   0.000  0.00  0.00           C+0
HETATM   78  C   UNK     0      38.952  15.892   0.000  0.00  0.00           C+0
HETATM   79  C   UNK     0      40.490  15.812   0.000  0.00  0.00           C+0
HETATM   80  C   UNK     0      41.189  14.439   0.000  0.00  0.00           C+0
HETATM   81  C   UNK     0      42.727  14.359   0.000  0.00  0.00           C+0
HETATM   82  C   UNK     0      43.426  12.986   0.000  0.00  0.00           C+0
HETATM   83  O   UNK     0      23.294  26.063   0.000  0.00  0.00           O+0
HETATM   84  C   UNK     0      22.455  24.771   0.000  0.00  0.00           C+0
HETATM   85  O   UNK     0      20.917  24.852   0.000  0.00  0.00           O+0
HETATM   86  C   UNK     0      23.154  23.399   0.000  0.00  0.00           C+0
HETATM   87  C   UNK     0      22.315  22.107   0.000  0.00  0.00           C+0
HETATM   88  C   UNK     0      23.014  20.735   0.000  0.00  0.00           C+0
HETATM   89  C   UNK     0      22.175  19.444   0.000  0.00  0.00           C+0
HETATM   90  C   UNK     0      22.874  18.072   0.000  0.00  0.00           C+0
HETATM   91  C   UNK     0      22.036  16.780   0.000  0.00  0.00           C+0
HETATM   92  C   UNK     0      22.735  15.408   0.000  0.00  0.00           C+0
HETATM   93  C   UNK     0      21.896  14.116   0.000  0.00  0.00           C+0
HETATM   94  C   UNK     0      22.595  12.744   0.000  0.00  0.00           C+0
HETATM   95  C   UNK     0      21.756  11.453   0.000  0.00  0.00           C+0
HETATM   96  C   UNK     0      22.455  10.081   0.000  0.00  0.00           C+0
HETATM   97  C   UNK     0      23.993  10.000   0.000  0.00  0.00           C+0
HETATM   98  C   UNK     0      24.692   8.628   0.000  0.00  0.00           C+0
HETATM   99  C   UNK     0      26.230   8.547   0.000  0.00  0.00           C+0
HETATM  100  C   UNK     0      26.929   7.175   0.000  0.00  0.00           C+0
HETATM  101  C   UNK     0      28.467   7.094   0.000  0.00  0.00           C+0
HETATM  102  C   UNK     0      29.166   5.722   0.000  0.00  0.00           C+0
HETATM  103  H   UNK     0      24.133  27.354   0.000  0.00  0.00           H+0
HETATM  104  H   UNK     0      38.393  34.619   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   83  103                                             
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   63  104                                             
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   61                                                       
CONECT   61   60   62                                                       
CONECT   62   61                                                            
CONECT   63   39   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   22   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   22                                                            
CONECT  104   39                                                            
MASTER        0    0    0    0    0    0    0    0  104    0  206    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₈₃H₁₄₂O₁₇P₂

Average Mass

1473.9529 Da

Monoisotopic Mass

1472.97223 Da

IUPAC Name

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

Traditional Name

3-{[(2R)-2,3-bis(octadeca-9,12-dienoyloxy)propoxy(hydroxy)phosphoryl]oxy}-2-hydroxypropoxy(2R)-3-(icosa-5,8,11,14-tetraenoyloxy)-2-(octadeca-9,12-dienoyloxy)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)CCCC=CCC=CCC=CCC=CCCCCC)OC(=O)CCCCCCCC=CCC=CCCCCC)OC(=O)CCCCCCCC=CCC=CCCCCC

InChI Identifier

InChI=1S/C83H142O17P2/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/h21-28,33-37,39-42,44,52,56,77-79,84H,5-20,29-32,38,43,45-51,53-55,57-76H2,1-4H3,(H,89,90)(H,91,92)/t77?,78-,79-/m1/s1

InChI Key

SYNXSZYAORKNPA-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	9.19	ALOGPS
logP	24.54	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	78	ChemAxon
Refractivity	427.28 m³·mol⁻¹	ChemAxon
Polarizability	172.87 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

FDB027421

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(20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z)) (NP0338866)

MOL for NP0338866 (CL(20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z)))

3D MOL for NP0338866 (CL(20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z)))

3D SDF for NP0338866 (CL(20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z)))

3D-SDF for NP0338866 (CL(20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z)))

PDB for NP0338866 (CL(20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z)))

3D PDB for NP0338866 (CL(20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z)))

SMILES for NP0338866 (CL(20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z)))

INCHI for NP0338866 (CL(20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z)))

Structure for NP0338866 (CL(20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z)))

3D Structure for NP0338866 (CL(20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z)))