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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2017-09-09 07:19:21 UTC

Update Date

2022-11-30 19:26:30 UTC

HMDB ID

HMDB0116175

Secondary Accession Numbers

None

Metabolite Identification

Common Name

CDP-DG(i-13:0/i-12:0)

Description

CDP-DG(i-13:0/i-12:0) is a cytidine diphosphate diacylglycerol or CDP-diacylglycerol (CDP-DG). CDP-diacylglycerol is an important branchpoint intermediate in eukaryotic phospholipid biosynthesis and could be a key regulatory molecule in phospholipid metabolism. It is a glycerophospholipid in which a cytidine diphosphate moiety occupies a glycerol substitution site. As is the case with diacylglycerols, CDP-diacylglycerols can have many different combinations of fatty acids of varying lengths and saturation attached at the C-1 and C-2 positions. Fatty acids containing 16, 18 and 20 carbons are the most common. CDP-DG(i-13:0/i-12:0), in particular, consists of one chain of isotridecanoic acid at the C-1 position and one chain of isododecanoic acid at the C-2 position. Cytidine diphosphate diacylglycerols are rarely noticed in analyses of lipid compositions of tissues, as they are present is such small amounts (perhaps only 0.05% or so of the total phospholipids).

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI

CDP-DG(i-13:0/i-12:0)
  Mrv1652309161722312D          

 58 59  0  0  1  0            999 V2000
   17.4451   -4.0157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4838   -4.5706    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.5226   -4.0157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4061   -4.5706    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5612   -4.5706    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7337   -5.6806    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3206   -5.7230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.4768   -4.2072    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   19.4768   -5.3368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.8027   -4.5411    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.4768   -3.1857    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8732   -4.1777    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   21.8732   -5.3072    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.1992   -4.5116    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8732   -3.1563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.1589   -6.7486    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   26.8306   -6.7486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.7371   -5.8702    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   26.0550   -5.2081    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.1058   -5.8608    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   26.8357   -7.5484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.1528   -7.5601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.1017   -5.0357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4120   -3.3822    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.4120   -4.2072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6975   -2.9697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6975   -4.6197    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.9830   -3.3822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.9830   -4.2072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6976   -2.1447    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.1119   -4.5018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8468   -4.1581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8468   -3.3867    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1327   -4.5712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4185   -4.1581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7044   -4.5712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9903   -4.1581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2762   -4.5712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5620   -4.1581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8479   -4.5712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1337   -4.1581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4196   -4.5712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7054   -4.1581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9913   -4.5712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9913   -3.7462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0193   -6.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0193   -6.8646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3052   -5.6800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5910   -6.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8769   -5.6800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1627   -6.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4486   -5.6800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7344   -6.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0203   -5.6800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3062   -6.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5920   -5.6800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8779   -6.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8779   -5.2681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  1  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  8  4  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  2  0  0  0  0
 12 10  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
 14 23  1  0  0  0  0
 16 17  1  0  0  0  0
 16 22  1  1  0  0  0
 18 19  1  0  0  0  0
 18 17  1  0  0  0  0
 18 27  1  1  0  0  0
 19 20  1  0  0  0  0
 20 16  1  0  0  0  0
 20 23  1  1  0  0  0
 21 17  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  1  0  0  0  0
 25 31  2  0  0  0  0
 26 28  1  0  0  0  0
 26 30  1  0  0  0  0
 27 29  1  0  0  0  0
 28 29  2  0  0  0  0
 32  5  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 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  1  0  0  0  0
 43 44  1  0  0  0  0
 43 45  1  0  0  0  0
 46  6  1  0  0  0  0
 46 47  2  0  0  0  0
 46 48  1  0  0  0  0
 48 49  1  0  0  0  0
 49 50  1  0  0  0  0
 50 51  1  0  0  0  0
 51 52  1  0  0  0  0
 52 53  1  0  0  0  0
 53 54  1  0  0  0  0
 54 55  1  0  0  0  0
 55 56  1  0  0  0  0
 56 57  1  0  0  0  0
 56 58  1  0  0  0  0
M  END

HMDB0116175
     RDKit          3D
CDP-DG(i-13:0/i-12:0)
124125  0  0  0  0  0  0  0  0999 V2000
    0.8581   -5.9831    1.1793 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3238   -6.4090   -0.1552 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7722   -7.4529    0.1125 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2835   -5.2399   -0.9459 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7968   -5.7287   -2.2785 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1723   -6.3341   -3.1649 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3807   -5.7686   -3.6886 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5291   -4.6245   -4.5758 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2014   -3.2398   -4.3288 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1771   -2.7736   -4.0806 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1901   -1.2202   -3.9478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6539   -0.8709   -3.7113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7887    0.5956   -3.5766 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7063    1.2552   -4.6619 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9900    1.2567   -2.4004 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1029    2.6698   -2.4050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3240    3.1557   -0.9538 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0863    2.8647   -0.1660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1494    3.3142    1.1234 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3025    2.9645    1.9597 P   0  0  0  0  0  5  0  0  0  0  0  0
    0.2506    1.6027    2.5697 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5011    4.1246    3.1481 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6110    3.0651    0.8957 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9769    3.5412    1.7589 P   0  0  0  0  0  5  0  0  0  0  0  0
    2.9008    3.0470    3.1787 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1899    5.2223    1.7589 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3391    2.8977    0.9621 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9589    2.5318   -0.3216 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1263    1.9629   -1.0443 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6973    0.8407   -0.5097 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8393   -0.1924   -0.7553 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.0523   -0.5934    0.3737 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4538   -0.2439    1.6048 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7228   -0.6164    2.7413 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5706   -1.3570    2.5856 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8084   -1.7479    3.7211 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1999   -1.6883    1.3413 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9391   -1.3039    0.2789 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5134   -1.6608   -0.8355 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1441    0.0788   -2.0199 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3733   -0.8341   -3.0289 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7288    1.4389   -2.4359 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7668    2.2938   -2.9251 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4915    2.5756   -0.4530 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6079    3.2961   -0.1115 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6014    4.5485   -0.2268 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8542    2.6877    0.3917 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7759    3.6063    1.0869 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4789    4.1365    2.4142 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3371    4.8670    2.8709 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9500    4.5387    2.9861 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2862    3.5180    3.7655 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3785    2.0692    3.6549 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6647    1.4224    3.9430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5514   -0.1177    3.8268 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5338   -0.6430    4.7987 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2831   -0.5566    2.4318 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6614   -6.6879    1.5450 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1088   -5.8339    1.9567 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3936   -5.0006    1.0430 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0908   -6.9224   -0.7589 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6866   -6.8144    0.3189 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6013   -7.9885    1.0632 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9212   -8.1351   -0.7259 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1761   -4.9270   -0.3661 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3880   -4.3858   -0.9851 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5283   -5.0223   -2.6725 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5061   -6.5993   -1.9440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4431   -6.6834   -4.0895 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4188   -7.4013   -2.7519 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9220   -6.6362   -4.2753 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1972   -5.6624   -2.8641 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0515   -4.9259   -5.6281 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6394   -4.6014   -4.9829 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5603   -2.6070   -5.2369 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9177   -2.8084   -3.5272 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6742   -3.0991   -3.1779 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8403   -2.9577   -4.9567 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3699   -0.9405   -3.0576 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1742   -0.8035   -4.9022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9574   -1.4093   -2.7786 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2967   -1.2508   -4.5596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1859    3.1545   -2.7509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0145    2.9475   -2.9560 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3936    4.2548   -1.0440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0172    1.7369   -0.1070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1944    3.2660   -0.7226 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3729    3.7773    4.0729 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9524    5.6386    0.8884 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5639    3.4155   -0.8638 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1831    1.7363   -0.2126 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8979    2.7508   -1.2687 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5474   -1.0758   -0.9991 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3442    0.3332    1.7897 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0564   -0.3282    3.7261 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1037   -1.4314    4.6686 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9568   -2.3467    3.6086 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0548    0.2666   -1.9537 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8411   -0.4424   -3.8021 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5838    1.3166   -3.0993 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6449    2.1311   -3.9027 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6459    1.7986    1.0330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3858    2.2754   -0.5334 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7804    3.0496    1.1684 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0916    4.4560    0.3686 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3931    4.9266    2.6386 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8567    3.3697    3.1711 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6131    5.3521    3.9283 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3457    5.8839    2.2479 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3760    4.6508    1.9936 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4792    5.5542    3.4623 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1270    3.7515    3.7914 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4860    3.8267    4.8841 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5700    1.5579    4.3011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9887    1.7917    2.6173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5327    1.7090    3.3455 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9314    1.5973    5.0143 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5398   -0.5010    4.1483 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4914    0.0117    5.6926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8535   -1.6508    5.1186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5670   -0.6948    4.2751 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1516   -1.0401    1.9386 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9598    0.2382    1.7404 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4886   -1.3571    2.4548 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 20 23  1  0
 23 24  1  0
 24 25  2  0
 24 26  1  0
 24 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  2  0
 34 35  1  0
 35 36  1  0
 35 37  2  0
 37 38  1  0
 38 39  2  0
 31 40  1  0
 40 41  1  0
 40 42  1  0
 42 43  1  0
 17 44  1  0
 44 45  1  0
 45 46  2  0
 45 47  1  0
 47 48  1  0
 48 49  1  0
 49 50  1  0
 50 51  1  0
 51 52  1  0
 52 53  1  0
 53 54  1  0
 54 55  1  0
 55 56  1  0
 55 57  1  0
 42 29  1  0
 38 32  1  0
  1 58  1  0
  1 59  1  0
  1 60  1  0
  2 61  1  0
  3 62  1  0
  3 63  1  0
  3 64  1  0
  4 65  1  0
  4 66  1  0
  5 67  1  0
  5 68  1  0
  6 69  1  0
  6 70  1  0
  7 71  1  0
  7 72  1  0
  8 73  1  0
  8 74  1  0
  9 75  1  0
  9 76  1  0
 10 77  1  0
 10 78  1  0
 11 79  1  0
 11 80  1  0
 12 81  1  0
 12 82  1  0
 16 83  1  0
 16 84  1  0
 17 85  1  6
 18 86  1  0
 18 87  1  0
 22 88  1  0
 26 89  1  0
 28 90  1  0
 28 91  1  0
 29 92  1  6
 31 93  1  6
 33 94  1  0
 34 95  1  0
 36 96  1  0
 36 97  1  0
 40 98  1  0
 41 99  1  0
 42100  1  6
 43101  1  0
 47102  1  0
 47103  1  0
 48104  1  0
 48105  1  0
 49106  1  0
 49107  1  0
 50108  1  0
 50109  1  0
 51110  1  0
 51111  1  0
 52112  1  0
 52113  1  0
 53114  1  0
 53115  1  0
 54116  1  0
 54117  1  0
 55118  1  0
 56119  1  0
 56120  1  0
 56121  1  0
 57122  1  0
 57123  1  0
 57124  1  0
M  END

CDP-DG(i-13:0/i-12:0)
  Mrv1652309161722312D          

 58 59  0  0  1  0            999 V2000
   17.4451   -4.0157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4838   -4.5706    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.5226   -4.0157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4061   -4.5706    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5612   -4.5706    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7337   -5.6806    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3206   -5.7230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.4768   -4.2072    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   19.4768   -5.3368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.8027   -4.5411    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.4768   -3.1857    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8732   -4.1777    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   21.8732   -5.3072    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.1992   -4.5116    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8732   -3.1563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.1589   -6.7486    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   26.8306   -6.7486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.7371   -5.8702    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   26.0550   -5.2081    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.1058   -5.8608    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   26.8357   -7.5484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.1528   -7.5601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.1017   -5.0357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4120   -3.3822    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.4120   -4.2072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6975   -2.9697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6975   -4.6197    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.9830   -3.3822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.9830   -4.2072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6976   -2.1447    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.1119   -4.5018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8468   -4.1581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8468   -3.3867    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1327   -4.5712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4185   -4.1581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7044   -4.5712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9903   -4.1581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2762   -4.5712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5620   -4.1581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8479   -4.5712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1337   -4.1581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4196   -4.5712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7054   -4.1581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9913   -4.5712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9913   -3.7462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0193   -6.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0193   -6.8646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3052   -5.6800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5910   -6.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8769   -5.6800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1627   -6.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4486   -5.6800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7344   -6.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0203   -5.6800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3062   -6.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5920   -5.6800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8779   -6.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8779   -5.2681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  1  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  8  4  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  2  0  0  0  0
 12 10  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
 14 23  1  0  0  0  0
 16 17  1  0  0  0  0
 16 22  1  1  0  0  0
 18 19  1  0  0  0  0
 18 17  1  0  0  0  0
 18 27  1  1  0  0  0
 19 20  1  0  0  0  0
 20 16  1  0  0  0  0
 20 23  1  1  0  0  0
 21 17  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  1  0  0  0  0
 25 31  2  0  0  0  0
 26 28  1  0  0  0  0
 26 30  1  0  0  0  0
 27 29  1  0  0  0  0
 28 29  2  0  0  0  0
 32  5  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 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  1  0  0  0  0
 43 44  1  0  0  0  0
 43 45  1  0  0  0  0
 46  6  1  0  0  0  0
 46 47  2  0  0  0  0
 46 48  1  0  0  0  0
 48 49  1  0  0  0  0
 49 50  1  0  0  0  0
 50 51  1  0  0  0  0
 51 52  1  0  0  0  0
 52 53  1  0  0  0  0
 53 54  1  0  0  0  0
 54 55  1  0  0  0  0
 55 56  1  0  0  0  0
 56 57  1  0  0  0  0
 56 58  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0116175

> <DATABASE_NAME>
hmdb

> <SMILES>
[H][C@@](COC(=O)CCCCCCCCCC(C)C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C(O)[C@H]1O)N1C=CC(N)=NC1=O)OC(=O)CCCCCCCCC(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C37H67N3O15P2/c1-27(2)18-14-10-6-5-7-12-16-20-32(41)50-24-29(53-33(42)21-17-13-9-8-11-15-19-28(3)4)25-51-56(46,47)55-57(48,49)52-26-30-34(43)35(44)36(54-30)40-23-22-31(38)39-37(40)45/h22-23,27-30,34-36,43-44H,5-21,24-26H2,1-4H3,(H,46,47)(H,48,49)(H2,38,39,45)/t29-,30-,34+,35?,36-/m1/s1

> <INCHI_KEY>
WRKQTBIWOSNSKX-AACFOHPMSA-N

> <FORMULA>
C37H67N3O15P2

> <MOLECULAR_WEIGHT>
855.897

> <EXACT_MASS>
855.404742465

> <JCHEM_ACCEPTOR_COUNT>
12

> <JCHEM_ATOM_COUNT>
124

> <JCHEM_AVERAGE_POLARIZABILITY>
89.11703733585145

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
{[(2R,3R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({hydroxy[(2R)-3-[(11-methyldodecanoyl)oxy]-2-[(10-methylundecanoyl)oxy]propoxy]phosphoryl}oxy)phosphinic acid

> <ALOGPS_LOGP>
3.74

> <JCHEM_LOGP>
6.129669986333333

> <ALOGPS_LOGS>
-4.09

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
3.2716255536258676

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.8631673662376511

> <JCHEM_PKA_STRONGEST_BASIC>
-0.03198989821723941

> <JCHEM_POLAR_SURFACE_AREA>
263.27

> <JCHEM_REFRACTIVITY>
207.89870000000008

> <JCHEM_ROTATABLE_BOND_COUNT>
33

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
6.91e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy([hydroxy((2R)-3-[(11-methyldodecanoyl)oxy]-2-[(10-methylundecanoyl)oxy]propoxy)phosphoryl]oxy)phosphinic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0116175
     RDKit          3D
CDP-DG(i-13:0/i-12:0)
124125  0  0  0  0  0  0  0  0999 V2000
    0.8581   -5.9831    1.1793 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3238   -6.4090   -0.1552 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7722   -7.4529    0.1125 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2835   -5.2399   -0.9459 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7968   -5.7287   -2.2785 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1723   -6.3341   -3.1649 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3807   -5.7686   -3.6886 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5291   -4.6245   -4.5758 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2014   -3.2398   -4.3288 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1771   -2.7736   -4.0806 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1901   -1.2202   -3.9478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6539   -0.8709   -3.7113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7887    0.5956   -3.5766 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7063    1.2552   -4.6619 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9900    1.2567   -2.4004 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1029    2.6698   -2.4050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3240    3.1557   -0.9538 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0863    2.8647   -0.1660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1494    3.3142    1.1234 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3025    2.9645    1.9597 P   0  0  0  0  0  5  0  0  0  0  0  0
    0.2506    1.6027    2.5697 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5011    4.1246    3.1481 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6110    3.0651    0.8957 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9769    3.5412    1.7589 P   0  0  0  0  0  5  0  0  0  0  0  0
    2.9008    3.0470    3.1787 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1899    5.2223    1.7589 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3391    2.8977    0.9621 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9589    2.5318   -0.3216 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1263    1.9629   -1.0443 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6973    0.8407   -0.5097 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8393   -0.1924   -0.7553 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.0523   -0.5934    0.3737 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4538   -0.2439    1.6048 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7228   -0.6164    2.7413 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5706   -1.3570    2.5856 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

HEADER    PROTEIN                                 16-SEP-17   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: CDP-DG(i-13:0/i-12:0)                             
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   16-SEP-17         0                                  
HETATM    1  C   UNK     0      32.564  -7.496   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      30.770  -8.532   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      28.976  -7.496   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0      34.358  -8.532   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0      27.181  -8.532   0.000  0.00  0.00           O+0
HETATM    6  O   UNK     0      29.370 -10.604   0.000  0.00  0.00           O+0
HETATM    7  H   UNK     0      32.332 -10.683   0.000  0.00  0.00           H+0
HETATM    8  P   UNK     0      36.357  -7.853   0.000  0.00  0.00           P+0
HETATM    9  O   UNK     0      36.357  -9.962   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0      38.832  -8.477   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0      36.357  -5.947   0.000  0.00  0.00           O+0
HETATM   12  P   UNK     0      40.830  -7.798   0.000  0.00  0.00           P+0
HETATM   13  O   UNK     0      40.830  -9.907   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0      43.305  -8.422   0.000  0.00  0.00           O+0
HETATM   15  O   UNK     0      40.830  -5.892   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0      46.963 -12.597   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      50.084 -12.597   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      51.776 -10.958   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      48.636  -9.722   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0      44.997 -10.940   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      50.093 -14.090   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0      46.952 -14.112   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0      44.990  -9.400   0.000  0.00  0.00           C+0
HETATM   24  N   UNK     0      53.036  -6.313   0.000  0.00  0.00           N+0
HETATM   25  C   UNK     0      53.036  -7.853   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      51.702  -5.543   0.000  0.00  0.00           C+0
HETATM   27  N   UNK     0      51.702  -8.624   0.000  0.00  0.00           N+0
HETATM   28  C   UNK     0      50.368  -6.313   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      50.368  -7.853   0.000  0.00  0.00           C+0
HETATM   30  N   UNK     0      51.702  -4.003   0.000  0.00  0.00           N+0
HETATM   31  O   UNK     0      54.342  -8.403   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0      25.847  -7.762   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0      25.847  -6.322   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0      24.514  -8.533   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      23.181  -7.762   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      21.848  -8.533   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      20.515  -7.762   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      19.182  -8.533   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      17.849  -7.762   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      16.516  -8.533   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      15.183  -7.762   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0      13.850  -8.533   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0      12.517  -7.762   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0      11.184  -8.533   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0      11.184  -6.993   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0      28.036 -11.374   0.000  0.00  0.00           C+0
HETATM   47  O   UNK     0      28.036 -12.814   0.000  0.00  0.00           O+0
HETATM   48  C   UNK     0      26.703 -10.603   0.000  0.00  0.00           C+0
HETATM   49  C   UNK     0      25.370 -11.374   0.000  0.00  0.00           C+0
HETATM   50  C   UNK     0      24.037 -10.603   0.000  0.00  0.00           C+0
HETATM   51  C   UNK     0      22.704 -11.374   0.000  0.00  0.00           C+0
HETATM   52  C   UNK     0      21.371 -10.603   0.000  0.00  0.00           C+0
HETATM   53  C   UNK     0      20.038 -11.374   0.000  0.00  0.00           C+0
HETATM   54  C   UNK     0      18.705 -10.603   0.000  0.00  0.00           C+0
HETATM   55  C   UNK     0      17.372 -11.374   0.000  0.00  0.00           C+0
HETATM   56  C   UNK     0      16.038 -10.603   0.000  0.00  0.00           C+0
HETATM   57  C   UNK     0      14.705 -11.374   0.000  0.00  0.00           C+0
HETATM   58  C   UNK     0      14.705  -9.834   0.000  0.00  0.00           C+0
CONECT    1    2    4                                                       
CONECT    2    1    6    7    3                                             
CONECT    3    2    5                                                       
CONECT    4    1    8                                                       
CONECT    5    3   32                                                       
CONECT    6    2   46                                                       
CONECT    7    2                                                            
CONECT    8    4    9   10   11                                             
CONECT    9    8                                                            
CONECT   10    8   12                                                       
CONECT   11    8                                                            
CONECT   12   10   13   14   15                                             
CONECT   13   12                                                            
CONECT   14   12   23                                                       
CONECT   15   12                                                            
CONECT   16   17   22   20                                                  
CONECT   17   16   18   21                                                  
CONECT   18   19   17   27                                                  
CONECT   19   18   20                                                       
CONECT   20   19   16   23                                                  
CONECT   21   17                                                            
CONECT   22   16                                                            
CONECT   23   14   20                                                       
CONECT   24   25   26                                                       
CONECT   25   24   27   31                                                  
CONECT   26   24   28   30                                                  
CONECT   27   18   25   29                                                  
CONECT   28   26   29                                                       
CONECT   29   27   28                                                       
CONECT   30   26                                                            
CONECT   31   25                                                            
CONECT   32    5   33   34                                                  
CONECT   33   32                                                            
CONECT   34   32   35                                                       
CONECT   35   34   36                                                       
CONECT   36   35   37                                                       
CONECT   37   36   38                                                       
CONECT   38   37   39                                                       
CONECT   39   38   40                                                       
CONECT   40   39   41                                                       
CONECT   41   40   42                                                       
CONECT   42   41   43                                                       
CONECT   43   42   44   45                                                  
CONECT   44   43                                                            
CONECT   45   43                                                            
CONECT   46    6   47   48                                                  
CONECT   47   46                                                            
CONECT   48   46   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   58                                                  
CONECT   57   56                                                            
CONECT   58   56                                                            
MASTER        0    0    0    0    0    0    0    0   58    0  118    0
END

COMPND    HMDB0116175
HETATM    1  C1  UNL     1       0.858  -5.983   1.179  1.00  0.00           C  
HETATM    2  C2  UNL     1       0.324  -6.409  -0.155  1.00  0.00           C  
HETATM    3  C3  UNL     1      -0.772  -7.453   0.112  1.00  0.00           C  
HETATM    4  C4  UNL     1      -0.283  -5.240  -0.946  1.00  0.00           C  
HETATM    5  C5  UNL     1      -0.797  -5.729  -2.278  1.00  0.00           C  
HETATM    6  C6  UNL     1       0.172  -6.334  -3.165  1.00  0.00           C  
HETATM    7  C7  UNL     1       1.381  -5.769  -3.689  1.00  0.00           C  
HETATM    8  C8  UNL     1       1.529  -4.625  -4.576  1.00  0.00           C  
HETATM    9  C9  UNL     1       1.201  -3.240  -4.329  1.00  0.00           C  
HETATM   10  C10 UNL     1      -0.177  -2.774  -4.081  1.00  0.00           C  
HETATM   11  C11 UNL     1      -0.190  -1.220  -3.948  1.00  0.00           C  
HETATM   12  C12 UNL     1      -1.654  -0.871  -3.711  1.00  0.00           C  
HETATM   13  C13 UNL     1      -1.789   0.596  -3.577  1.00  0.00           C  
HETATM   14  O1  UNL     1      -1.706   1.255  -4.662  1.00  0.00           O  
HETATM   15  O2  UNL     1      -1.990   1.257  -2.400  1.00  0.00           O  
HETATM   16  C14 UNL     1      -2.103   2.670  -2.405  1.00  0.00           C  
HETATM   17  C15 UNL     1      -2.324   3.156  -0.954  1.00  0.00           C  
HETATM   18  C16 UNL     1      -1.086   2.865  -0.166  1.00  0.00           C  
HETATM   19  O3  UNL     1      -1.149   3.314   1.123  1.00  0.00           O  
HETATM   20  P1  UNL     1       0.302   2.965   1.960  1.00  0.00           P  
HETATM   21  O4  UNL     1       0.251   1.603   2.570  1.00  0.00           O  
HETATM   22  O5  UNL     1       0.501   4.125   3.148  1.00  0.00           O  
HETATM   23  O6  UNL     1       1.611   3.065   0.896  1.00  0.00           O  
HETATM   24  P2  UNL     1       2.977   3.541   1.759  1.00  0.00           P  
HETATM   25  O7  UNL     1       2.901   3.047   3.179  1.00  0.00           O  
HETATM   26  O8  UNL     1       3.190   5.222   1.759  1.00  0.00           O  
HETATM   27  O9  UNL     1       4.339   2.898   0.962  1.00  0.00           O  
HETATM   28  C17 UNL     1       3.959   2.532  -0.322  1.00  0.00           C  
HETATM   29  C18 UNL     1       5.126   1.963  -1.044  1.00  0.00           C  
HETATM   30  O10 UNL     1       5.697   0.841  -0.510  1.00  0.00           O  
HETATM   31  C19 UNL     1       4.839  -0.192  -0.755  1.00  0.00           C  
HETATM   32  N1  UNL     1       4.052  -0.593   0.374  1.00  0.00           N  
HETATM   33  C20 UNL     1       4.454  -0.244   1.605  1.00  0.00           C  
HETATM   34  C21 UNL     1       3.723  -0.616   2.741  1.00  0.00           C  
HETATM   35  C22 UNL     1       2.571  -1.357   2.586  1.00  0.00           C  
HETATM   36  N2  UNL     1       1.808  -1.748   3.721  1.00  0.00           N  
HETATM   37  N3  UNL     1       2.200  -1.688   1.341  1.00  0.00           N  
HETATM   38  C23 UNL     1       2.939  -1.304   0.279  1.00  0.00           C  
HETATM   39  O11 UNL     1       2.513  -1.661  -0.835  1.00  0.00           O  
HETATM   40  C24 UNL     1       4.144   0.079  -2.020  1.00  0.00           C  
HETATM   41  O12 UNL     1       4.373  -0.834  -3.029  1.00  0.00           O  
HETATM   42  C25 UNL     1       4.729   1.439  -2.436  1.00  0.00           C  
HETATM   43  O13 UNL     1       3.767   2.294  -2.925  1.00  0.00           O  
HETATM   44  O14 UNL     1      -3.492   2.576  -0.453  1.00  0.00           O  
HETATM   45  C26 UNL     1      -4.608   3.296  -0.112  1.00  0.00           C  
HETATM   46  O15 UNL     1      -4.601   4.549  -0.227  1.00  0.00           O  
HETATM   47  C27 UNL     1      -5.854   2.688   0.392  1.00  0.00           C  
HETATM   48  C28 UNL     1      -6.776   3.606   1.087  1.00  0.00           C  
HETATM   49  C29 UNL     1      -6.479   4.136   2.414  1.00  0.00           C  
HETATM   50  C30 UNL     1      -5.337   4.867   2.871  1.00  0.00           C  
HETATM   51  C31 UNL     1      -3.950   4.539   2.986  1.00  0.00           C  
HETATM   52  C32 UNL     1      -3.286   3.518   3.766  1.00  0.00           C  
HETATM   53  C33 UNL     1      -3.378   2.069   3.655  1.00  0.00           C  
HETATM   54  C34 UNL     1      -4.665   1.422   3.943  1.00  0.00           C  
HETATM   55  C35 UNL     1      -4.551  -0.118   3.827  1.00  0.00           C  
HETATM   56  C36 UNL     1      -3.534  -0.643   4.799  1.00  0.00           C  
HETATM   57  C37 UNL     1      -4.283  -0.557   2.432  1.00  0.00           C  
HETATM   58  H1  UNL     1       1.661  -6.688   1.545  1.00  0.00           H  
HETATM   59  H2  UNL     1       0.109  -5.834   1.957  1.00  0.00           H  
HETATM   60  H3  UNL     1       1.394  -5.001   1.043  1.00  0.00           H  
HETATM   61  H4  UNL     1       1.091  -6.922  -0.759  1.00  0.00           H  
HETATM   62  H5  UNL     1      -1.687  -6.814   0.319  1.00  0.00           H  
HETATM   63  H6  UNL     1      -0.601  -7.988   1.063  1.00  0.00           H  
HETATM   64  H7  UNL     1      -0.921  -8.135  -0.726  1.00  0.00           H  
HETATM   65  H8  UNL     1      -1.176  -4.927  -0.366  1.00  0.00           H  
HETATM   66  H9  UNL     1       0.388  -4.386  -0.985  1.00  0.00           H  
HETATM   67  H10 UNL     1      -1.528  -5.022  -2.673  1.00  0.00           H  
HETATM   68  H11 UNL     1      -1.506  -6.599  -1.944  1.00  0.00           H  
HETATM   69  H12 UNL     1      -0.443  -6.683  -4.090  1.00  0.00           H  
HETATM   70  H13 UNL     1       0.419  -7.401  -2.752  1.00  0.00           H  
HETATM   71  H14 UNL     1       1.922  -6.636  -4.275  1.00  0.00           H  
HETATM   72  H15 UNL     1       2.197  -5.662  -2.864  1.00  0.00           H  
HETATM   73  H16 UNL     1       1.052  -4.926  -5.628  1.00  0.00           H  
HETATM   74  H17 UNL     1       2.639  -4.601  -4.983  1.00  0.00           H  
HETATM   75  H18 UNL     1       1.560  -2.607  -5.237  1.00  0.00           H  
HETATM   76  H19 UNL     1       1.918  -2.808  -3.527  1.00  0.00           H  
HETATM   77  H20 UNL     1      -0.674  -3.099  -3.178  1.00  0.00           H  
HETATM   78  H21 UNL     1      -0.840  -2.958  -4.957  1.00  0.00           H  
HETATM   79  H22 UNL     1       0.370  -0.941  -3.058  1.00  0.00           H  
HETATM   80  H23 UNL     1       0.174  -0.803  -4.902  1.00  0.00           H  
HETATM   81  H24 UNL     1      -1.957  -1.409  -2.779  1.00  0.00           H  
HETATM   82  H25 UNL     1      -2.297  -1.251  -4.560  1.00  0.00           H  
HETATM   83  H26 UNL     1      -1.186   3.154  -2.751  1.00  0.00           H  
HETATM   84  H27 UNL     1      -3.015   2.947  -2.956  1.00  0.00           H  
HETATM   85  H28 UNL     1      -2.394   4.255  -1.044  1.00  0.00           H  
HETATM   86  H29 UNL     1      -1.017   1.737  -0.107  1.00  0.00           H  
HETATM   87  H30 UNL     1      -0.194   3.266  -0.723  1.00  0.00           H  
HETATM   88  H31 UNL     1       0.373   3.777   4.073  1.00  0.00           H  
HETATM   89  H32 UNL     1       2.952   5.639   0.888  1.00  0.00           H  
HETATM   90  H33 UNL     1       3.564   3.415  -0.864  1.00  0.00           H  
HETATM   91  H34 UNL     1       3.183   1.736  -0.213  1.00  0.00           H  
HETATM   92  H35 UNL     1       5.898   2.751  -1.269  1.00  0.00           H  
HETATM   93  H36 UNL     1       5.547  -1.076  -0.999  1.00  0.00           H  
HETATM   94  H37 UNL     1       5.344   0.333   1.790  1.00  0.00           H  
HETATM   95  H38 UNL     1       4.056  -0.328   3.726  1.00  0.00           H  
HETATM   96  H39 UNL     1       2.104  -1.431   4.669  1.00  0.00           H  
HETATM   97  H40 UNL     1       0.957  -2.347   3.609  1.00  0.00           H  
HETATM   98  H41 UNL     1       3.055   0.267  -1.954  1.00  0.00           H  
HETATM   99  H42 UNL     1       4.841  -0.442  -3.802  1.00  0.00           H  
HETATM  100  H43 UNL     1       5.584   1.317  -3.099  1.00  0.00           H  
HETATM  101  H44 UNL     1       3.645   2.131  -3.903  1.00  0.00           H  
HETATM  102  H45 UNL     1      -5.646   1.799   1.033  1.00  0.00           H  
HETATM  103  H46 UNL     1      -6.386   2.275  -0.533  1.00  0.00           H  
HETATM  104  H47 UNL     1      -7.780   3.050   1.168  1.00  0.00           H  
HETATM  105  H48 UNL     1      -7.092   4.456   0.369  1.00  0.00           H  
HETATM  106  H49 UNL     1      -7.393   4.927   2.639  1.00  0.00           H  
HETATM  107  H50 UNL     1      -6.857   3.370   3.171  1.00  0.00           H  
HETATM  108  H51 UNL     1      -5.613   5.352   3.928  1.00  0.00           H  
HETATM  109  H52 UNL     1      -5.346   5.884   2.248  1.00  0.00           H  
HETATM  110  H53 UNL     1      -3.376   4.651   1.994  1.00  0.00           H  
HETATM  111  H54 UNL     1      -3.479   5.554   3.462  1.00  0.00           H  
HETATM  112  H55 UNL     1      -2.127   3.751   3.791  1.00  0.00           H  
HETATM  113  H56 UNL     1      -3.486   3.827   4.884  1.00  0.00           H  
HETATM  114  H57 UNL     1      -2.570   1.558   4.301  1.00  0.00           H  
HETATM  115  H58 UNL     1      -2.989   1.792   2.617  1.00  0.00           H  
HETATM  116  H59 UNL     1      -5.533   1.709   3.346  1.00  0.00           H  
HETATM  117  H60 UNL     1      -4.931   1.597   5.014  1.00  0.00           H  
HETATM  118  H61 UNL     1      -5.540  -0.501   4.148  1.00  0.00           H  
HETATM  119  H62 UNL     1      -3.491   0.012   5.693  1.00  0.00           H  
HETATM  120  H63 UNL     1      -3.853  -1.651   5.119  1.00  0.00           H  
HETATM  121  H64 UNL     1      -2.567  -0.695   4.275  1.00  0.00           H  
HETATM  122  H65 UNL     1      -5.152  -1.040   1.939  1.00  0.00           H  
HETATM  123  H66 UNL     1      -3.960   0.238   1.740  1.00  0.00           H  
HETATM  124  H67 UNL     1      -3.489  -1.357   2.455  1.00  0.00           H  
CONECT    1    2   58   59   60
CONECT    2    3    4   61
CONECT    3   62   63   64
CONECT    4    5   65   66
CONECT    5    6   67   68
CONECT    6    7   69   70
CONECT    7    8   71   72
CONECT    8    9   73   74
CONECT    9   10   75   76
CONECT   10   11   77   78
CONECT   11   12   79   80
CONECT   12   13   81   82
CONECT   13   14   14   15
CONECT   15   16
CONECT   16   17   83   84
CONECT   17   18   44   85
CONECT   18   19   86   87
CONECT   19   20
CONECT   20   21   21   22   23
CONECT   22   88
CONECT   23   24
CONECT   24   25   25   26   27
CONECT   26   89
CONECT   27   28
CONECT   28   29   90   91
CONECT   29   30   42   92
CONECT   30   31
CONECT   31   32   40   93
CONECT   32   33   38
CONECT   33   34   34   94
CONECT   34   35   95
CONECT   35   36   37   37
CONECT   36   96   97
CONECT   37   38
CONECT   38   39   39
CONECT   40   41   42   98
CONECT   41   99
CONECT   42   43  100
CONECT   43  101
CONECT   44   45
CONECT   45   46   46   47
CONECT   47   48  102  103
CONECT   48   49  104  105
CONECT   49   50  106  107
CONECT   50   51  108  109
CONECT   51   52  110  111
CONECT   52   53  112  113
CONECT   53   54  114  115
CONECT   54   55  116  117
CONECT   55   56   57  118
CONECT   56  119  120  121
CONECT   57  122  123  124
END

HMDB0116175
     RDKit          3D
CDP-DG(i-13:0/i-12:0)
124125  0  0  0  0  0  0  0  0999 V2000
    0.8581   -5.9831    1.1793 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3238   -6.4090   -0.1552 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7722   -7.4529    0.1125 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2835   -5.2399   -0.9459 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7968   -5.7287   -2.2785 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1723   -6.3341   -3.1649 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3807   -5.7686   -3.6886 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5291   -4.6245   -4.5758 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2014   -3.2398   -4.3288 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1771   -2.7736   -4.0806 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1901   -1.2202   -3.9478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6539   -0.8709   -3.7113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7887    0.5956   -3.5766 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7063    1.2552   -4.6619 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9900    1.2567   -2.4004 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1029    2.6698   -2.4050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3240    3.1557   -0.9538 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0863    2.8647   -0.1660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1494    3.3142    1.1234 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3025    2.9645    1.9597 P   0  0  0  0  0  5  0  0  0  0  0  0
    0.2506    1.6027    2.5697 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5011    4.1246    3.1481 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6110    3.0651    0.8957 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9769    3.5412    1.7589 P   0  0  0  0  0  5  0  0  0  0  0  0
    2.9008    3.0470    3.1787 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1899    5.2223    1.7589 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3391    2.8977    0.9621 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9589    2.5318   -0.3216 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1263    1.9629   -1.0443 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6973    0.8407   -0.5097 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8393   -0.1924   -0.7553 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.0523   -0.5934    0.3737 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4538   -0.2439    1.6048 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7228   -0.6164    2.7413 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5706   -1.3570    2.5856 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8084   -1.7479    3.7211 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1999   -1.6883    1.3413 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9391   -1.3039    0.2789 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5134   -1.6608   -0.8355 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1441    0.0788   -2.0199 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3733   -0.8341   -3.0289 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7288    1.4389   -2.4359 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7668    2.2938   -2.9251 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4915    2.5756   -0.4530 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6079    3.2961   -0.1115 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6014    4.5485   -0.2268 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8542    2.6877    0.3917 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7759    3.6063    1.0869 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4789    4.1365    2.4142 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3371    4.8670    2.8709 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9500    4.5387    2.9861 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2862    3.5180    3.7655 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3785    2.0692    3.6549 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6647    1.4224    3.9430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5514   -0.1177    3.8268 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5338   -0.6430    4.7987 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2831   -0.5566    2.4318 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

View in JSmol View Stereo Labels

Synonyms

Value	Source
1-Isotridecanoyl-2-isododecanoyl-sn-glycero-3-CDP	HMDB
1-Isotridecanoyl-2-isododecanoyl-sn-glycero-3-cytidine-5'-diphosphate	HMDB
CDP-DG(25:0)	HMDB
CDP-Diacylglycerol(I-13:0/I-12:0)	HMDB
CDP-Diacylglycerol(25:0)	HMDB
{[(2R,3R,5R)-3,4-dihydroxy-5-(2-hydroxy-4-imino-1,4-dihydropyrimidin-1-yl)oxolan-2-yl]methoxy}({hydroxy[(2R)-3-[(11-methyldodecanoyl)oxy]-2-[(10-methylundecanoyl)oxy]propoxy]phosphoryl}oxy)phosphinate	HMDB
CDP-DG(i-13:0/i-12:0)	SMPDB

Chemical Formula

C₃₇H₆₇N₃O₁₅P₂

Average Molecular Weight

855.897

Monoisotopic Molecular Weight

855.404742465

IUPAC Name

{[(2R,3R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({hydroxy[(2R)-3-[(11-methyldodecanoyl)oxy]-2-[(10-methylundecanoyl)oxy]propoxy]phosphoryl}oxy)phosphinic acid

Traditional Name

[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy([hydroxy((2R)-3-[(11-methyldodecanoyl)oxy]-2-[(10-methylundecanoyl)oxy]propoxy)phosphoryl]oxy)phosphinic acid

CAS Registry Number

Not Available

SMILES

[H][C@@](COC(=O)CCCCCCCCCC(C)C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C(O)[C@H]1O)N1C=CC(N)=NC1=O)OC(=O)CCCCCCCCC(C)C

InChI Identifier

InChI=1S/C37H67N3O15P2/c1-27(2)18-14-10-6-5-7-12-16-20-32(41)50-24-29(53-33(42)21-17-13-9-8-11-15-19-28(3)4)25-51-56(46,47)55-57(48,49)52-26-30-34(43)35(44)36(54-30)40-23-22-31(38)39-37(40)45/h22-23,27-30,34-36,43-44H,5-21,24-26H2,1-4H3,(H,46,47)(H,48,49)(H2,38,39,45)/t29-,30-,34+,35?,36-/m1/s1

InChI Key

WRKQTBIWOSNSKX-AACFOHPMSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as cdp-diacylglycerols. These are glycerolipids containing a diacylglycerol, with a cytidine diphosphate attached to the oxygen O1 or O2 of the glycerol part.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Glycerophospholipids

Sub Class

CDP-glycerols

Direct Parent

CDP-diacylglycerols

Alternative Parents

Substituents

Cdp-diacylglycerol
Pyrimidine ribonucleoside diphosphate
Diacyl-glycerol-3-pyrophosphate
Pentose phosphate
Pentose-5-phosphate
Glycosyl compound
N-glycosyl compound
Monosaccharide phosphate
Organic pyrophosphate
Fatty acid ester
Monoalkyl phosphate
Hydroxypyrimidine
Dicarboxylic acid or derivatives
Fatty acyl
Alkyl phosphate
Hydropyrimidine
Pyrimidine
Phosphoric acid ester
Monosaccharide
Organic phosphoric acid derivative
Heteroaromatic compound
Tetrahydrofuran
Carboxylic acid ester
1,2-diol
Secondary alcohol
Oxacycle
Organoheterocyclic compound
Azacycle
Carboxylic acid derivative
Organopnictogen compound
Organic oxide
Alcohol
Organic nitrogen compound
Hydrocarbon derivative
Carbonyl group
Organic oxygen compound
Organooxygen compound
Organonitrogen compound
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

Not Available

Ontology

Not Available

Endogenous (HMDB: HMDB0116175)

Process

Naturally occurring process

Biological process

Biochemical pathway

Disease pathway

Cardiolipin Biosynthesis CL(a-13:0/18:2(9Z,11Z)/i-13:0/i-12:0) (PathBank: SMP0043453)
Cardiolipin Biosynthesis CL(a-13:0/a-13:0/i-13:0/i-12:0) (PathBank: SMP0043775)
Cardiolipin Biosynthesis CL(a-13:0/a-25:0/i-13:0/i-12:0) (PathBank: SMP0045066)
Cardiolipin Biosynthesis CL(a-13:0/i-15:0/i-13:0/i-12:0) (PathBank: SMP0046354)
Cardiolipin Biosynthesis CL(a-13:0/i-17:0/i-13:0/i-12:0) (PathBank: SMP0047000)
Cardiolipin Biosynthesis CL(a-13:0/i-19:0/i-13:0/i-12:0) (PathBank: SMP0047645)
Cardiolipin Biosynthesis CL(i-12:0/18:2(9Z,11Z)/i-13:0/i-12:0) (PathBank: SMP0049254)
Cardiolipin Biosynthesis CL(i-12:0/i-21:0/i-13:0/i-12:0) (PathBank: SMP0054103)
Cardiolipin Biosynthesis CL(i-12:0/i-22:0/i-13:0/i-12:0) (PathBank: SMP0054425)
Cardiolipin Biosynthesis CL(i-12:0/i-24:0/i-13:0/i-12:0) (PathBank: SMP0054746)
Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-13:0/i-12:0) (PathBank: SMP0055395)
Cardiolipin Biosynthesis CL(i-13:0/a-25:0/i-13:0/i-12:0) (PathBank: SMP0056693)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/18:2(9Z,11Z)/i-12:0) (PathBank: SMP0056891)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/18:2(9Z,11Z)/i-16:0) (PathBank: SMP0056895)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/a-13:0/a-21:0) (PathBank: SMP0056907)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/a-13:0/i-15:0) (PathBank: SMP0056912)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/a-13:0/i-18:0) (PathBank: SMP0056915)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/a-13:0/i-19:0) (PathBank: SMP0056916)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/a-13:0/i-21:0) (PathBank: SMP0056918)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/a-13:0/i-22:0) (PathBank: SMP0056919)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/a-15:0/a-17:0) (PathBank: SMP0056924)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/a-15:0/i-14:0) (PathBank: SMP0056929)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/a-15:0/i-18:0) (PathBank: SMP0056933)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/a-15:0/i-20:0) (PathBank: SMP0056935)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/a-17:0/a-13:0) (PathBank: SMP0056940)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/a-17:0/a-25:0) (PathBank: SMP0056944)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/a-17:0/i-15:0) (PathBank: SMP0056948)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/a-17:0/i-21:0) (PathBank: SMP0056953)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/a-21:0/a-21:0) (PathBank: SMP0056960)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/a-21:0/a-25:0) (PathBank: SMP0056961)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/a-21:0/i-13:0) (PathBank: SMP0056963)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/a-21:0/i-17:0) (PathBank: SMP0056967)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/a-21:0/i-19:0) (PathBank: SMP0056969)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/a-25:0/18:2(9Z,11Z)) (PathBank: SMP0056974)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/a-25:0/a-25:0) (PathBank: SMP0056979)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/a-25:0/i-12:0) (PathBank: SMP0056980)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/a-25:0/i-14:0) (PathBank: SMP0056982)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/a-25:0/i-19:0) (PathBank: SMP0056987)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/a-25:0/i-20:0) (PathBank: SMP0056988)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-12:0/a-13:0) (PathBank: SMP0056993)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-12:0/a-25:0) (PathBank: SMP0056997)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-12:0/i-14:0) (PathBank: SMP0057000)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-12:0/i-15:0) (PathBank: SMP0057001)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-12:0/i-16:0) (PathBank: SMP0057002)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-12:0/i-17:0) (PathBank: SMP0057003)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-12:0/i-19:0) (PathBank: SMP0057005)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-12:0/i-20:0) (PathBank: SMP0057006)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-13:0/a-13:0) (PathBank: SMP0057011)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-13:0/a-21:0) (PathBank: SMP0057014)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-13:0/i-12:0) (PathBank: SMP0057016)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-14:0/a-13:0) (PathBank: SMP0057029)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-14:0/i-14:0) (PathBank: SMP0057036)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-14:0/i-21:0) (PathBank: SMP0057043)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-15:0/18:2(9Z,11Z)) (PathBank: SMP0057046)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-15:0/i-16:0) (PathBank: SMP0057056)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-16:0/i-12:0) (PathBank: SMP0057070)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-16:0/i-17:0) (PathBank: SMP0057075)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-17:0/i-20:0) (PathBank: SMP0057095)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-17:0/i-22:0) (PathBank: SMP0057097)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-18:0/a-13:0) (PathBank: SMP0057100)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-18:0/a-15:0) (PathBank: SMP0057101)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-18:0/i-20:0) (PathBank: SMP0057113)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-18:0/i-24:0) (PathBank: SMP0057116)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-19:0/a-13:0) (PathBank: SMP0057118)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-19:0/a-17:0) (PathBank: SMP0057120)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-19:0/i-13:0) (PathBank: SMP0057124)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-19:0/i-16:0) (PathBank: SMP0057127)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-19:0/i-19:0) (PathBank: SMP0057130)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-20:0/a-17:0) (PathBank: SMP0057138)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-22:0/a-17:0) (PathBank: SMP0057174)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-22:0/i-20:0) (PathBank: SMP0057185)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-22:0/i-22:0) (PathBank: SMP0057187)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-22:0/i-24:0) (PathBank: SMP0057188)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-24:0/i-17:0) (PathBank: SMP0057200)
Cardiolipin Biosynthesis CL(i-13:0/i-15:0/i-13:0/i-12:0) (PathBank: SMP0057995)
Cardiolipin Biosynthesis CL(i-14:0/a-13:0/i-13:0/i-12:0) (PathBank: SMP0060962)
Cardiolipin Biosynthesis CL(a-13:0/a-17:0/i-13:0/i-12:0) (PathBank: SMP0044419)
Cardiolipin Biosynthesis CL(a-13:0/a-21:0/i-13:0/i-12:0) (PathBank: SMP0044743)
Cardiolipin Biosynthesis CL(a-13:0/i-22:0/i-13:0/i-12:0) (PathBank: SMP0048609)
Cardiolipin Biosynthesis CL(i-12:0/a-15:0/i-13:0/i-12:0) (PathBank: SMP0049899)
Cardiolipin Biosynthesis CL(i-12:0/i-12:0/i-13:0/i-12:0) (PathBank: SMP0051194)
Cardiolipin Biosynthesis CL(i-12:0/i-16:0/i-13:0/i-12:0) (PathBank: SMP0052486)
Cardiolipin Biosynthesis CL(i-12:0/i-17:0/i-13:0/i-12:0) (PathBank: SMP0052810)
Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-13:0/i-12:0) (PathBank: SMP0053133)
Cardiolipin Biosynthesis CL(i-12:0/i-19:0/i-13:0/i-12:0) (PathBank: SMP0053456)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/18:2(9Z,11Z)/a-25:0) (PathBank: SMP0056890)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/18:2(9Z,11Z)/i-13:0) (PathBank: SMP0056892)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/18:2(9Z,11Z)/i-21:0) (PathBank: SMP0056900)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/a-13:0/a-13:0) (PathBank: SMP0056904)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/a-13:0/a-25:0) (PathBank: SMP0056908)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/a-13:0/i-17:0) (PathBank: SMP0056914)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/a-13:0/i-24:0) (PathBank: SMP0056920)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/a-15:0/18:2(9Z,11Z)) (PathBank: SMP0056921)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/a-15:0/a-13:0) (PathBank: SMP0056922)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/a-15:0/i-15:0) (PathBank: SMP0056930)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/a-15:0/i-19:0) (PathBank: SMP0056934)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/a-17:0/18:2(9Z,11Z)) (PathBank: SMP0056939)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/a-17:0/a-15:0) (PathBank: SMP0056941)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/a-17:0/i-12:0) (PathBank: SMP0056945)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/a-17:0/i-13:0) (PathBank: SMP0056946)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/a-17:0/i-14:0) (PathBank: SMP0056947)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/a-17:0/i-17:0) (PathBank: SMP0056950)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/a-21:0/a-13:0) (PathBank: SMP0056957)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/a-21:0/a-15:0) (PathBank: SMP0056958)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/a-21:0/i-15:0) (PathBank: SMP0056965)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/a-21:0/i-20:0) (PathBank: SMP0056970)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/a-21:0/i-24:0) (PathBank: SMP0056973)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/a-25:0/i-16:0) (PathBank: SMP0056984)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/a-25:0/i-17:0) (PathBank: SMP0056985)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/a-25:0/i-18:0) (PathBank: SMP0056986)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/a-25:0/i-22:0) (PathBank: SMP0056990)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-12:0/a-17:0) (PathBank: SMP0056995)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-12:0/i-13:0) (PathBank: SMP0056999)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-12:0/i-18:0) (PathBank: SMP0057004)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-12:0/i-22:0) (PathBank: SMP0057008)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-12:0/i-24:0) (PathBank: SMP0057009)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-13:0/a-15:0) (PathBank: SMP0057012)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-13:0/a-25:0) (PathBank: SMP0057015)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-13:0/i-14:0) (PathBank: SMP0057018)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-13:0/i-18:0) (PathBank: SMP0057022)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-13:0/i-21:0) (PathBank: SMP0057025)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-14:0/i-15:0) (PathBank: SMP0057037)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-14:0/i-18:0) (PathBank: SMP0057040)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-14:0/i-20:0) (PathBank: SMP0057042)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-15:0/a-17:0) (PathBank: SMP0057049)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-15:0/a-21:0) (PathBank: SMP0057050)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-15:0/i-13:0) (PathBank: SMP0057053)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-15:0/i-19:0) (PathBank: SMP0057059)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-15:0/i-21:0) (PathBank: SMP0057061)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-15:0/i-22:0) (PathBank: SMP0057062)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-15:0/i-24:0) (PathBank: SMP0057063)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-16:0/a-21:0) (PathBank: SMP0057068)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-16:0/a-25:0) (PathBank: SMP0057069)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-16:0/i-13:0) (PathBank: SMP0057071)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-16:0/i-14:0) (PathBank: SMP0057072)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-16:0/i-15:0) (PathBank: SMP0057073)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-16:0/i-19:0) (PathBank: SMP0057077)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-16:0/i-22:0) (PathBank: SMP0057080)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-17:0/i-12:0) (PathBank: SMP0057088)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-17:0/i-13:0) (PathBank: SMP0057089)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-17:0/i-15:0) (PathBank: SMP0057091)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-18:0/a-21:0) (PathBank: SMP0057103)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-18:0/a-25:0) (PathBank: SMP0057104)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-18:0/i-21:0) (PathBank: SMP0057114)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-19:0/18:2(9Z,11Z)) (PathBank: SMP0057117)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-19:0/a-21:0) (PathBank: SMP0057121)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-19:0/a-25:0) (PathBank: SMP0057122)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-19:0/i-12:0) (PathBank: SMP0057123)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-20:0/a-13:0) (PathBank: SMP0057136)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-20:0/a-21:0) (PathBank: SMP0057139)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-20:0/i-12:0) (PathBank: SMP0057141)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-20:0/i-14:0) (PathBank: SMP0057143)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-20:0/i-16:0) (PathBank: SMP0057145)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-20:0/i-18:0) (PathBank: SMP0057147)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-20:0/i-22:0) (PathBank: SMP0057151)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-21:0/18:2(9Z,11Z)) (PathBank: SMP0057153)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-21:0/a-15:0) (PathBank: SMP0057155)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-21:0/a-21:0) (PathBank: SMP0057157)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-21:0/i-17:0) (PathBank: SMP0057164)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-21:0/i-20:0) (PathBank: SMP0057167)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-21:0/i-21:0) (PathBank: SMP0057168)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-21:0/i-22:0) (PathBank: SMP0057169)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-22:0/a-13:0) (PathBank: SMP0057172)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-22:0/i-13:0) (PathBank: SMP0057178)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-22:0/i-16:0) (PathBank: SMP0057181)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-22:0/i-19:0) (PathBank: SMP0057184)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-24:0/18:2(9Z,11Z)) (PathBank: SMP0057189)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-24:0/a-13:0) (PathBank: SMP0057190)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-24:0/a-17:0) (PathBank: SMP0057192)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-24:0/i-13:0) (PathBank: SMP0057196)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-24:0/i-14:0) (PathBank: SMP0057197)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-24:0/i-20:0) (PathBank: SMP0057203)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-24:0/i-22:0) (PathBank: SMP0057205)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-24:0/i-24:0) (PathBank: SMP0057206)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/a-17:0/i-18:0) (PathBank: SMP0057588)
Cardiolipin Biosynthesis CL(i-13:0/i-14:0/i-13:0/i-12:0) (PathBank: SMP0057671)
Cardiolipin Biosynthesis CL(i-13:0/i-17:0/i-13:0/i-12:0) (PathBank: SMP0058638)
Cardiolipin Biosynthesis CL(i-13:0/i-21:0/i-13:0/i-12:0) (PathBank: SMP0059973)
Cardiolipin Biosynthesis CL(i-14:0/a-15:0/i-13:0/i-12:0) (PathBank: SMP0061287)
Cardiolipin Biosynthesis CL(i-14:0/i-12:0/i-13:0/i-12:0) (PathBank: SMP0061779)
Cardiolipin Biosynthesis CL(i-14:0/i-17:0/i-13:0/i-12:0) (PathBank: SMP0063360)
Cardiolipin Biosynthesis CL(a-13:0/i-14:0/i-13:0/i-12:0) (PathBank: SMP0046030)
Cardiolipin Biosynthesis CL(a-13:0/i-18:0/i-13:0/i-12:0) (PathBank: SMP0047321)
Cardiolipin Biosynthesis CL(a-13:0/i-20:0/i-13:0/i-12:0) (PathBank: SMP0047966)
Cardiolipin Biosynthesis CL(a-13:0/i-24:0/i-13:0/i-12:0) (PathBank: SMP0048931)
Cardiolipin Biosynthesis CL(i-12:0/a-13:0/i-13:0/i-12:0) (PathBank: SMP0049577)
Cardiolipin Biosynthesis CL(i-12:0/a-21:0/i-13:0/i-12:0) (PathBank: SMP0050545)
Cardiolipin Biosynthesis CL(i-12:0/i-13:0/i-13:0/i-12:0) (PathBank: SMP0051518)
Cardiolipin Biosynthesis CL(i-12:0/i-14:0/i-13:0/i-12:0) (PathBank: SMP0051841)
Cardiolipin Biosynthesis CL(i-12:0/i-15:0/i-13:0/i-12:0) (PathBank: SMP0052164)
Cardiolipin Biosynthesis CL(i-12:0/i-20:0/i-13:0/i-12:0) (PathBank: SMP0053778)
Cardiolipin Biosynthesis CL(i-13:0/18:2(9Z,11Z)/i-13:0/i-12:0) (PathBank: SMP0055070)
Cardiolipin Biosynthesis CL(i-13:0/a-15:0/i-13:0/i-12:0) (PathBank: SMP0055718)
Cardiolipin Biosynthesis CL(i-13:0/a-17:0/i-13:0/i-12:0) (PathBank: SMP0056042)
Cardiolipin Biosynthesis CL(i-13:0/a-21:0/i-13:0/i-12:0) (PathBank: SMP0056366)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/18:2(9Z,11Z)/18:2(9Z,11Z)) (PathBank: SMP0056885)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/18:2(9Z,11Z)/a-21:0) (PathBank: SMP0056889)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/18:2(9Z,11Z)/i-17:0) (PathBank: SMP0056896)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/18:2(9Z,11Z)/i-19:0) (PathBank: SMP0056898)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/18:2(9Z,11Z)/i-20:0) (PathBank: SMP0056899)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/a-13:0/18:2(9Z,11Z)) (PathBank: SMP0056903)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/a-13:0/a-15:0) (PathBank: SMP0056905)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/a-13:0/a-17:0) (PathBank: SMP0056906)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/a-13:0/i-13:0) (PathBank: SMP0056910)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/a-13:0/i-14:0) (PathBank: SMP0056911)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/a-13:0/i-16:0) (PathBank: SMP0056913)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/a-13:0/i-20:0) (PathBank: SMP0056917)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/a-15:0/a-25:0) (PathBank: SMP0056926)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/a-15:0/i-16:0) (PathBank: SMP0056931)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/a-15:0/i-17:0) (PathBank: SMP0056932)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/a-17:0/a-17:0) (PathBank: SMP0056942)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/a-17:0/a-21:0) (PathBank: SMP0056943)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/a-17:0/i-16:0) (PathBank: SMP0056949)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/a-17:0/i-19:0) (PathBank: SMP0056951)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/a-17:0/i-20:0) (PathBank: SMP0056952)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/a-21:0/i-12:0) (PathBank: SMP0056962)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/a-21:0/i-21:0) (PathBank: SMP0056971)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/a-25:0/a-15:0) (PathBank: SMP0056976)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/a-25:0/a-17:0) (PathBank: SMP0056977)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/a-25:0/a-21:0) (PathBank: SMP0056978)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/a-25:0/i-13:0) (PathBank: SMP0056981)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/a-25:0/i-15:0) (PathBank: SMP0056983)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-12:0/18:2(9Z,11Z)) (PathBank: SMP0056992)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-12:0/a-15:0) (PathBank: SMP0056994)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-12:0/i-12:0) (PathBank: SMP0056998)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-12:0/i-21:0) (PathBank: SMP0057007)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-13:0/a-17:0) (PathBank: SMP0057013)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-13:0/i-17:0) (PathBank: SMP0057021)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-13:0/i-20:0) (PathBank: SMP0057024)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-14:0/a-15:0) (PathBank: SMP0057030)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-14:0/a-17:0) (PathBank: SMP0057031)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-14:0/i-13:0) (PathBank: SMP0057035)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-14:0/i-17:0) (PathBank: SMP0057039)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-14:0/i-19:0) (PathBank: SMP0057041)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-14:0/i-24:0) (PathBank: SMP0057045)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-15:0/a-13:0) (PathBank: SMP0057047)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-15:0/i-12:0) (PathBank: SMP0057052)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-15:0/i-14:0) (PathBank: SMP0057054)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-15:0/i-20:0) (PathBank: SMP0057060)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-16:0/18:2(9Z,11Z)) (PathBank: SMP0057064)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-16:0/a-13:0) (PathBank: SMP0057065)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-16:0/a-15:0) (PathBank: SMP0057066)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-16:0/a-17:0) (PathBank: SMP0057067)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-16:0/i-16:0) (PathBank: SMP0057074)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-16:0/i-18:0) (PathBank: SMP0057076)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-16:0/i-20:0) (PathBank: SMP0057078)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-16:0/i-24:0) (PathBank: SMP0057081)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-17:0/a-13:0) (PathBank: SMP0057083)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-17:0/a-15:0) (PathBank: SMP0057084)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-17:0/a-17:0) (PathBank: SMP0057085)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-17:0/i-14:0) (PathBank: SMP0057090)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-17:0/i-17:0) (PathBank: SMP0057093)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-17:0/i-19:0) (PathBank: SMP0057094)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-17:0/i-21:0) (PathBank: SMP0057096)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-17:0/i-24:0) (PathBank: SMP0057098)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-18:0/a-17:0) (PathBank: SMP0057102)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-18:0/i-13:0) (PathBank: SMP0057106)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-18:0/i-14:0) (PathBank: SMP0057107)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-18:0/i-15:0) (PathBank: SMP0057108)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-18:0/i-18:0) (PathBank: SMP0057111)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-18:0/i-19:0) (PathBank: SMP0057112)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-18:0/i-22:0) (PathBank: SMP0057115)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-19:0/i-15:0) (PathBank: SMP0057126)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-19:0/i-17:0) (PathBank: SMP0057128)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-19:0/i-20:0) (PathBank: SMP0057131)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-19:0/i-21:0) (PathBank: SMP0057132)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-19:0/i-22:0) (PathBank: SMP0057133)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-20:0/i-13:0) (PathBank: SMP0057142)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-20:0/i-17:0) (PathBank: SMP0057146)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-20:0/i-19:0) (PathBank: SMP0057148)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-20:0/i-20:0) (PathBank: SMP0057149)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-20:0/i-21:0) (PathBank: SMP0057150)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-20:0/i-24:0) (PathBank: SMP0057152)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-21:0/a-13:0) (PathBank: SMP0057154)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-21:0/a-25:0) (PathBank: SMP0057158)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-21:0/i-12:0) (PathBank: SMP0057159)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-21:0/i-14:0) (PathBank: SMP0057161)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-21:0/i-15:0) (PathBank: SMP0057162)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-21:0/i-18:0) (PathBank: SMP0057165)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-21:0/i-24:0) (PathBank: SMP0057170)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-22:0/a-25:0) (PathBank: SMP0057176)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-22:0/i-14:0) (PathBank: SMP0057179)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-22:0/i-21:0) (PathBank: SMP0057186)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-24:0/i-12:0) (PathBank: SMP0057195)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-24:0/i-16:0) (PathBank: SMP0057199)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-24:0/i-21:0) (PathBank: SMP0057204)
Cardiolipin Biosynthesis CL(i-13:0/i-13:0/i-13:0/i-12:0) (PathBank: SMP0057338)
Cardiolipin Biosynthesis CL(i-13:0/i-16:0/i-13:0/i-12:0) (PathBank: SMP0058319)
Cardiolipin Biosynthesis CL(i-13:0/i-19:0/i-13:0/i-12:0) (PathBank: SMP0059311)
Cardiolipin Biosynthesis CL(i-13:0/i-20:0/i-13:0/i-12:0) (PathBank: SMP0059636)
Cardiolipin Biosynthesis CL(i-13:0/i-22:0/i-13:0/i-12:0) (PathBank: SMP0060312)
Cardiolipin Biosynthesis CL(i-14:0/a-17:0/i-13:0/i-12:0) (PathBank: SMP0061560)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-13:0/i-12:0) (PathBank: SMP0062101)
Cardiolipin Biosynthesis CL(i-14:0/i-14:0/i-13:0/i-12:0) (PathBank: SMP0062424)
Cardiolipin Biosynthesis CL(i-14:0/i-16:0/i-13:0/i-12:0) (PathBank: SMP0063087)
Cardiolipin Biosynthesis CL(a-13:0/a-15:0/i-13:0/i-12:0) (PathBank: SMP0044099)
Cardiolipin Biosynthesis CL(a-13:0/i-12:0/i-13:0/i-12:0) (PathBank: SMP0045388)
Cardiolipin Biosynthesis CL(a-13:0/i-13:0/i-13:0/i-12:0) (PathBank: SMP0045708)
Cardiolipin Biosynthesis CL(a-13:0/i-16:0/i-13:0/i-12:0) (PathBank: SMP0046676)
Cardiolipin Biosynthesis CL(a-13:0/i-21:0/i-13:0/i-12:0) (PathBank: SMP0048287)
Cardiolipin Biosynthesis CL(i-12:0/a-17:0/i-13:0/i-12:0) (PathBank: SMP0050223)
Cardiolipin Biosynthesis CL(i-12:0/a-25:0/i-13:0/i-12:0) (PathBank: SMP0050869)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/18:2(9Z,11Z)/a-13:0) (PathBank: SMP0056886)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/18:2(9Z,11Z)/a-15:0) (PathBank: SMP0056887)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/18:2(9Z,11Z)/a-17:0) (PathBank: SMP0056888)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/18:2(9Z,11Z)/i-14:0) (PathBank: SMP0056893)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/18:2(9Z,11Z)/i-15:0) (PathBank: SMP0056894)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/18:2(9Z,11Z)/i-18:0) (PathBank: SMP0056897)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/18:2(9Z,11Z)/i-22:0) (PathBank: SMP0056901)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/18:2(9Z,11Z)/i-24:0) (PathBank: SMP0056902)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/a-13:0/i-12:0) (PathBank: SMP0056909)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/a-15:0/a-15:0) (PathBank: SMP0056923)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/a-15:0/a-21:0) (PathBank: SMP0056925)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/a-15:0/i-12:0) (PathBank: SMP0056927)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/a-15:0/i-13:0) (PathBank: SMP0056928)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/a-15:0/i-21:0) (PathBank: SMP0056936)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/a-15:0/i-22:0) (PathBank: SMP0056937)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/a-15:0/i-24:0) (PathBank: SMP0056938)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/a-17:0/i-22:0) (PathBank: SMP0056954)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/a-17:0/i-24:0) (PathBank: SMP0056955)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/a-21:0/18:2(9Z,11Z)) (PathBank: SMP0056956)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/a-21:0/a-17:0) (PathBank: SMP0056959)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/a-21:0/i-14:0) (PathBank: SMP0056964)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/a-21:0/i-16:0) (PathBank: SMP0056966)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/a-21:0/i-18:0) (PathBank: SMP0056968)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/a-21:0/i-22:0) (PathBank: SMP0056972)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/a-25:0/a-13:0) (PathBank: SMP0056975)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/a-25:0/i-21:0) (PathBank: SMP0056989)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/a-25:0/i-24:0) (PathBank: SMP0056991)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-12:0/a-21:0) (PathBank: SMP0056996)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-13:0/18:2(9Z,11Z)) (PathBank: SMP0057010)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-13:0/i-13:0) (PathBank: SMP0057017)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-13:0/i-15:0) (PathBank: SMP0057019)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-13:0/i-16:0) (PathBank: SMP0057020)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-13:0/i-19:0) (PathBank: SMP0057023)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-13:0/i-22:0) (PathBank: SMP0057026)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-13:0/i-24:0) (PathBank: SMP0057027)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-14:0/18:2(9Z,11Z)) (PathBank: SMP0057028)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-14:0/a-21:0) (PathBank: SMP0057032)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-14:0/a-25:0) (PathBank: SMP0057033)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-14:0/i-12:0) (PathBank: SMP0057034)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-14:0/i-16:0) (PathBank: SMP0057038)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-14:0/i-22:0) (PathBank: SMP0057044)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-15:0/a-15:0) (PathBank: SMP0057048)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-15:0/a-25:0) (PathBank: SMP0057051)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-15:0/i-15:0) (PathBank: SMP0057055)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-15:0/i-17:0) (PathBank: SMP0057057)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-15:0/i-18:0) (PathBank: SMP0057058)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-16:0/i-21:0) (PathBank: SMP0057079)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-17:0/18:2(9Z,11Z)) (PathBank: SMP0057082)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-17:0/a-21:0) (PathBank: SMP0057086)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-17:0/a-25:0) (PathBank: SMP0057087)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-17:0/i-16:0) (PathBank: SMP0057092)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-18:0/18:2(9Z,11Z)) (PathBank: SMP0057099)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-18:0/i-12:0) (PathBank: SMP0057105)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-18:0/i-16:0) (PathBank: SMP0057109)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-18:0/i-17:0) (PathBank: SMP0057110)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-19:0/a-15:0) (PathBank: SMP0057119)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-19:0/i-14:0) (PathBank: SMP0057125)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-19:0/i-18:0) (PathBank: SMP0057129)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-19:0/i-24:0) (PathBank: SMP0057134)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-20:0/18:2(9Z,11Z)) (PathBank: SMP0057135)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-20:0/a-15:0) (PathBank: SMP0057137)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-20:0/a-25:0) (PathBank: SMP0057140)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-20:0/i-15:0) (PathBank: SMP0057144)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-21:0/a-17:0) (PathBank: SMP0057156)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-21:0/i-13:0) (PathBank: SMP0057160)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-21:0/i-16:0) (PathBank: SMP0057163)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-21:0/i-19:0) (PathBank: SMP0057166)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-22:0/18:2(9Z,11Z)) (PathBank: SMP0057171)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-22:0/a-15:0) (PathBank: SMP0057173)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-22:0/a-21:0) (PathBank: SMP0057175)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-22:0/i-12:0) (PathBank: SMP0057177)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-22:0/i-15:0) (PathBank: SMP0057180)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-22:0/i-17:0) (PathBank: SMP0057182)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-22:0/i-18:0) (PathBank: SMP0057183)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-24:0/a-15:0) (PathBank: SMP0057191)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-24:0/a-21:0) (PathBank: SMP0057193)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-24:0/a-25:0) (PathBank: SMP0057194)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-24:0/i-15:0) (PathBank: SMP0057198)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-24:0/i-18:0) (PathBank: SMP0057201)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-24:0/i-19:0) (PathBank: SMP0057202)
Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-13:0/i-12:0) (PathBank: SMP0058981)
Cardiolipin Biosynthesis CL(i-13:0/i-24:0/i-13:0/i-12:0) (PathBank: SMP0060633)
Cardiolipin Biosynthesis CL(i-14:0/i-15:0/i-13:0/i-12:0) (PathBank: SMP0062751)

Role

Not Available

Physical Properties

State

Solid

Experimental Molecular 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

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
logP	3.74	ALOGPS
logP	6.13	ChemAxon
logS	-4.1	ALOGPS
pKa (Strongest Acidic)	1.86	ChemAxon
pKa (Strongest Basic)	-0.032	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	12	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	263.27 Å²	ChemAxon
Rotatable Bond Count	33	ChemAxon
Refractivity	207.9 m³·mol⁻¹	ChemAxon
Polarizability	89.12 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DeepCCS	[M+H]+	262.66	30932474
DeepCCS	[M-H]-	260.835	30932474
DeepCCS	[M-2H]-	294.424	30932474
DeepCCS	[M+Na]+	268.266	30932474
AllCCS	[M+H]+	280.1	32859911
AllCCS	[M+H-H2O]+	280.4	32859911
AllCCS	[M+NH4]+	279.8	32859911
AllCCS	[M+Na]+	279.7	32859911
AllCCS	[M-H]-	270.8	32859911
AllCCS	[M+Na-2H]-	276.8	32859911
AllCCS	[M+HCOO]-	283.3	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
CDP-DG(i-13:0/i-12:0)	[H][C@@](COC(=O)CCCCCCCCCC(C)C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C(O)[C@H]1O)N1C=CC(N)=NC1=O)OC(=O)CCCCCCCCC(C)C	5501.1	Standard polar	33892256
CDP-DG(i-13:0/i-12:0)	[H][C@@](COC(=O)CCCCCCCCCC(C)C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C(O)[C@H]1O)N1C=CC(N)=NC1=O)OC(=O)CCCCCCCCC(C)C	5038.5	Standard non polar	33892256
CDP-DG(i-13:0/i-12:0)	[H][C@@](COC(=O)CCCCCCCCCC(C)C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C(O)[C@H]1O)N1C=CC(N)=NC1=O)OC(=O)CCCCCCCCC(C)C	5926.5	Semi standard non polar	33892256

Spectra

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - CDP-DG(i-13:0/i-12:0) 10V, Positive-QTOF	splash10-03di-0900001010-a2903a16892d805f5268	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - CDP-DG(i-13:0/i-12:0) 20V, Positive-QTOF	splash10-03di-1900000000-f13b9fecd9ac92eb1fed	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - CDP-DG(i-13:0/i-12:0) 40V, Positive-QTOF	splash10-03di-3910000000-7695a6ce3c1029d4e232	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - CDP-DG(i-13:0/i-12:0) 10V, Negative-QTOF	splash10-08fs-0920002020-0b8acf9442fc763189c9	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - CDP-DG(i-13:0/i-12:0) 20V, Negative-QTOF	splash10-03di-4932102010-4c0949c01d36cb778e07	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - CDP-DG(i-13:0/i-12:0) 40V, Negative-QTOF	splash10-08i0-4910000000-e3e87cc02f5fc82758ef	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - CDP-DG(i-13:0/i-12:0) 10V, Negative-QTOF	splash10-0udi-0000000090-1d173a4a09110dc92ba6	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - CDP-DG(i-13:0/i-12:0) 20V, Negative-QTOF	splash10-01u3-9410515020-1cc1443fc6d449d325c3	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - CDP-DG(i-13:0/i-12:0) 40V, Negative-QTOF	splash10-0560-3809403020-cd768d483e16bdc2ba24	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - CDP-DG(i-13:0/i-12:0) 10V, Positive-QTOF	splash10-0a4i-0100000290-51b0ace59d30f6e817dc	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - CDP-DG(i-13:0/i-12:0) 20V, Positive-QTOF	splash10-03ki-1100000940-b8903f3a0780f36f78a7	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - CDP-DG(i-13:0/i-12:0) 40V, Positive-QTOF	splash10-000i-0029100000-fd3c46d5acae882c3be4	2021-09-24	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Name	SMPDB/PathBank	KEGG
Cardiolipin Biosynthesis CL(a-13:0/18:2(9Z,11Z)/i-13:0/i-12:0)		Not Available
Cardiolipin Biosynthesis CL(a-13:0/a-13:0/i-13:0/i-12:0)		Not Available
Cardiolipin Biosynthesis CL(a-13:0/a-15:0/i-13:0/i-12:0)		Not Available
Cardiolipin Biosynthesis CL(a-13:0/a-17:0/i-13:0/i-12:0)		Not Available
Cardiolipin Biosynthesis CL(a-13:0/a-21:0/i-13:0/i-12:0)		Not Available