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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2017-09-09 07:22:23 UTC

Update Date

2022-11-30 19:26:30 UTC

HMDB ID

HMDB0116194

Secondary Accession Numbers

None

Metabolite Identification

Common Name

CDP-DG(i-14:0/i-13:0)

Description

CDP-DG(i-14:0/i-13:0) 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-14:0/i-13:0), in particular, consists of one chain of isotetradecanoic acid at the C-1 position and one chain of isotridecanoic 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-14:0/i-13:0)
  Mrv1652309161722322D          

 60 61  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
    5.2772   -4.1581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2772   -4.9831    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
    7.1637   -5.6800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1637   -6.5051    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
 44 45  1  0  0  0  0
 44 46  1  0  0  0  0
 47  6  1  0  0  0  0
 47 48  2  0  0  0  0
 47 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
 57 58  1  0  0  0  0
 58 59  1  0  0  0  0
 58 60  1  0  0  0  0
M  END

HMDB0116194
     RDKit          3D
CDP-DG(i-14:0/i-13:0)
130131  0  0  0  0  0  0  0  0999 V2000
   -5.0176    1.4375   -3.7644 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6026    1.8112   -3.4082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5151    3.3036   -3.2219 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5945    1.3495   -4.4529 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6551   -0.1476   -4.5870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7026   -0.7157   -5.5983 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2543   -0.3364   -5.1679 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6768   -0.9278   -6.1658 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1298   -0.8102   -5.9626 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8656    0.4400   -5.9128 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5084    1.3690   -4.8029 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4643    2.6023   -4.8782 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1034    3.5596   -3.7970 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2190    3.0650   -2.4212 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1304    3.5547   -1.6899 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3981    2.1065   -1.8809 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4748    1.6375   -0.5798 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7983    1.0519   -0.2404 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.1415   -0.1267   -1.1041 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2342   -1.1617   -1.0016 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7966   -2.3921   -2.0347 P   0  0  0  0  0  5  0  0  0  0  0  0
    4.7976   -3.1945   -1.2255 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5615   -1.6999   -3.3655 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5225   -3.3391   -2.5640 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7864   -4.0384   -1.2074 P   0  0  0  0  0  5  0  0  0  0  0  0
    2.1306   -3.2051    0.0076 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3626   -5.5993   -1.0549 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1187   -3.9644   -1.4801 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5276   -3.3223   -0.4115 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0066   -3.2908   -0.7308 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.5278   -4.5738   -0.8858 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9119   -4.2830   -0.8542 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.6730   -5.4841   -0.9711 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1042   -6.6913   -0.7960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8318   -7.8672   -0.9074 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1779   -7.8359   -1.2048 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9486   -9.0253   -1.3253 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7238   -6.5971   -1.3761 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9855   -5.4744   -1.2602 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5560   -4.3440   -1.4326 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0298   -3.5730    0.4520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8286   -4.4425    1.5141 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7975   -2.6590    0.4017 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.0654   -2.7414    1.5634 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7832    0.5689    1.1250 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5911    1.0743    2.1052 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3996    1.9952    1.8501 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4963    0.5245    3.4652 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3736    1.1909    4.4750 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1065    2.6548    4.6337 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6523    2.9120    5.0530 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4077    4.3807    5.2061 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0025    4.7435    5.6069 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0469    4.2629    4.5603 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3915    4.5993    4.8783 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8592    3.9925    6.1743 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3053    4.3845    6.3979 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4892    5.8777    6.4757 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8212    3.7003    7.6565 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3169    0.4705   -3.2916 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6884    2.2023   -3.3351 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1326    1.4117   -4.8727 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3712    1.3033   -2.4404 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4750    3.7278   -2.8361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3140    3.8418   -4.1812 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6938    3.5651   -2.5207 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6049    1.6918   -4.0843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8014    1.7968   -5.4314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4742   -0.5869   -3.5686 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6858   -0.4937   -4.8443 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8620   -0.2074   -6.5708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7716   -1.8048   -5.6617 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0815   -0.6396   -4.1244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2950    0.7852   -5.2779 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3574   -0.5383   -7.1884 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4146   -2.0354   -6.2142 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3570   -1.3460   -4.9566 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6857   -1.5332   -6.6708 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9697    0.1723   -5.7706 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8759    1.0002   -6.9030 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4992    1.7730   -4.9554 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6830    0.9128   -3.8353 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2665    3.0324   -5.8747 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5125    2.2755   -4.8419 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7799    4.4511   -3.9216 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0744    3.9600   -3.9870 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3274    2.5446    0.0910 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6226    0.9553   -0.3178 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5720    1.8358   -0.2589 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2075    0.2492   -2.1505 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1834   -0.5020   -0.8714 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5248   -1.8951   -3.3241 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8404   -5.6702   -0.1858 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1403   -2.2928   -0.3821 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3314   -3.8970    0.4923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1818   -2.7652   -1.6941 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0779   -3.5522   -1.6782 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0460   -6.7380   -0.5614 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3617   -8.8423   -0.7636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3601   -9.5142   -0.5190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1215   -9.4488   -2.2844 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8958   -2.9231    0.5561 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9602   -3.9506    2.3699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0876   -1.6291    0.1151 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6131   -2.3775    2.3160 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4481    0.5532    3.8282 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7685   -0.5577    3.4645 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1233    0.7131    5.4662 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4197    0.9843    4.2570 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7610    2.9966    5.4903 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3894    3.2850    3.7841 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0257    2.4884    4.2382 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4275    2.3404    5.9750 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6949    4.8568    4.2303 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1590    4.7834    5.9361 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9566    5.8281    5.7697 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8298    4.2769    6.5999 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2937    4.7938    3.6145 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1609    3.1803    4.3469 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5344    5.6789    4.8839 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0154    4.1682    4.0623 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2737    4.4415    6.9987 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8296    2.8884    6.1663 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8714    3.9445    5.5256 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1522    6.1116    7.3581 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0740    6.1945    5.5858 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5321    6.4344    6.5295 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9716    2.6317    7.5000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0767    3.8093    8.4847 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7839    4.1311    7.9785 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  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  2  0
 21 23  1  0
 21 24  1  0
 24 25  1  0
 25 26  2  0
 25 27  1  0
 25 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  1  0
 34 35  2  0
 35 36  1  0
 36 37  1  0
 36 38  2  0
 38 39  1  0
 39 40  2  0
 32 41  1  0
 41 42  1  0
 41 43  1  0
 43 44  1  0
 18 45  1  0
 45 46  1  0
 46 47  2  0
 46 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
 56 57  1  0
 57 58  1  0
 57 59  1  0
 43 30  1  0
 39 33  1  0
  1 60  1  0
  1 61  1  0
  1 62  1  0
  2 63  1  0
  3 64  1  0
  3 65  1  0
  3 66  1  0
  4 67  1  0
  4 68  1  0
  5 69  1  0
  5 70  1  0
  6 71  1  0
  6 72  1  0
  7 73  1  0
  7 74  1  0
  8 75  1  0
  8 76  1  0
  9 77  1  0
  9 78  1  0
 10 79  1  0
 10 80  1  0
 11 81  1  0
 11 82  1  0
 12 83  1  0
 12 84  1  0
 13 85  1  0
 13 86  1  0
 17 87  1  0
 17 88  1  0
 18 89  1  1
 19 90  1  0
 19 91  1  0
 23 92  1  0
 27 93  1  0
 29 94  1  0
 29 95  1  0
 30 96  1  6
 32 97  1  6
 34 98  1  0
 35 99  1  0
 37100  1  0
 37101  1  0
 41102  1  0
 42103  1  0
 43104  1  6
 44105  1  0
 48106  1  0
 48107  1  0
 49108  1  0
 49109  1  0
 50110  1  0
 50111  1  0
 51112  1  0
 51113  1  0
 52114  1  0
 52115  1  0
 53116  1  0
 53117  1  0
 54118  1  0
 54119  1  0
 55120  1  0
 55121  1  0
 56122  1  0
 56123  1  0
 57124  1  0
 58125  1  0
 58126  1  0
 58127  1  0
 59128  1  0
 59129  1  0
 59130  1  0
M  END

CDP-DG(i-14:0/i-13:0)
  Mrv1652309161722322D          

 60 61  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
    5.2772   -4.1581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2772   -4.9831    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
    7.1637   -5.6800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1637   -6.5051    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
 44 45  1  0  0  0  0
 44 46  1  0  0  0  0
 47  6  1  0  0  0  0
 47 48  2  0  0  0  0
 47 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
 57 58  1  0  0  0  0
 58 59  1  0  0  0  0
 58 60  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0116194

> <DATABASE_NAME>
hmdb

> <SMILES>
[H][C@@](COC(=O)CCCCCCCCCCC(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)CCCCCCCCCC(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C39H71N3O15P2/c1-29(2)20-16-12-8-5-6-10-14-18-22-34(43)52-26-31(55-35(44)23-19-15-11-7-9-13-17-21-30(3)4)27-53-58(48,49)57-59(50,51)54-28-32-36(45)37(46)38(56-32)42-25-24-33(40)41-39(42)47/h24-25,29-32,36-38,45-46H,5-23,26-28H2,1-4H3,(H,48,49)(H,50,51)(H2,40,41,47)/t31-,32-,36+,37?,38-/m1/s1

> <INCHI_KEY>
BVUBOKMWRISSMF-YPOSWXDASA-N

> <FORMULA>
C39H71N3O15P2

> <MOLECULAR_WEIGHT>
883.951

> <EXACT_MASS>
883.436042594

> <JCHEM_ACCEPTOR_COUNT>
12

> <JCHEM_ATOM_COUNT>
130

> <JCHEM_AVERAGE_POLARIZABILITY>
93.47187869190554

> <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)-2-[(11-methyldodecanoyl)oxy]-3-[(12-methyltridecanoyl)oxy]propoxy]phosphoryl}oxy)phosphinic acid

> <ALOGPS_LOGP>
4.33

> <JCHEM_LOGP>
7.018807316333335

> <ALOGPS_LOGS>
-4.39

> <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>
217.10070000000007

> <JCHEM_ROTATABLE_BOND_COUNT>
35

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.58e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy([hydroxy((2R)-2-[(11-methyldodecanoyl)oxy]-3-[(12-methyltridecanoyl)oxy]propoxy)phosphoryl]oxy)phosphinic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0116194
     RDKit          3D
CDP-DG(i-14:0/i-13:0)
130131  0  0  0  0  0  0  0  0999 V2000
   -5.0176    1.4375   -3.7644 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6026    1.8112   -3.4082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5151    3.3036   -3.2219 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5945    1.3495   -4.4529 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6551   -0.1476   -4.5870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7026   -0.7157   -5.5983 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2543   -0.3364   -5.1679 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6768   -0.9278   -6.1658 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1298   -0.8102   -5.9626 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8656    0.4400   -5.9128 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5084    1.3690   -4.8029 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4643    2.6023   -4.8782 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1034    3.5596   -3.7970 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2190    3.0650   -2.4212 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1304    3.5547   -1.6899 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3981    2.1065   -1.8809 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4748    1.6375   -0.5798 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7983    1.0519   -0.2404 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.1415   -0.1267   -1.1041 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2342   -1.1617   -1.0016 O   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-14:0/i-13:0)                             
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   16-SEP-17         0                                  
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HETATM   54  C   UNK     0      20.038 -11.374   0.000  0.00  0.00           C+0
HETATM   55  C   UNK     0      18.705 -10.603   0.000  0.00  0.00           C+0
HETATM   56  C   UNK     0      17.372 -11.374   0.000  0.00  0.00           C+0
HETATM   57  C   UNK     0      16.038 -10.603   0.000  0.00  0.00           C+0
HETATM   58  C   UNK     0      14.705 -11.374   0.000  0.00  0.00           C+0
HETATM   59  C   UNK     0      13.372 -10.603   0.000  0.00  0.00           C+0
HETATM   60  C   UNK     0      13.372 -12.143   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   47                                                       
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                                                       
CONECT   44   43   45   46                                                  
CONECT   45   44                                                            
CONECT   46   44                                                            
CONECT   47    6   48   49                                                  
CONECT   48   47                                                            
CONECT   49   47   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   60                                                  
CONECT   59   58                                                            
CONECT   60   58                                                            
MASTER        0    0    0    0    0    0    0    0   60    0  122    0
END

COMPND    HMDB0116194
HETATM    1  C1  UNL     1      -5.018   1.438  -3.764  1.00  0.00           C  
HETATM    2  C2  UNL     1      -3.603   1.811  -3.408  1.00  0.00           C  
HETATM    3  C3  UNL     1      -3.515   3.304  -3.222  1.00  0.00           C  
HETATM    4  C4  UNL     1      -2.595   1.349  -4.453  1.00  0.00           C  
HETATM    5  C5  UNL     1      -2.655  -0.148  -4.587  1.00  0.00           C  
HETATM    6  C6  UNL     1      -1.703  -0.716  -5.598  1.00  0.00           C  
HETATM    7  C7  UNL     1      -0.254  -0.336  -5.168  1.00  0.00           C  
HETATM    8  C8  UNL     1       0.677  -0.928  -6.166  1.00  0.00           C  
HETATM    9  C9  UNL     1       2.130  -0.810  -5.963  1.00  0.00           C  
HETATM   10  C10 UNL     1       2.866   0.440  -5.913  1.00  0.00           C  
HETATM   11  C11 UNL     1       2.508   1.369  -4.803  1.00  0.00           C  
HETATM   12  C12 UNL     1       3.464   2.602  -4.878  1.00  0.00           C  
HETATM   13  C13 UNL     1       3.103   3.560  -3.797  1.00  0.00           C  
HETATM   14  C14 UNL     1       3.219   3.065  -2.421  1.00  0.00           C  
HETATM   15  O1  UNL     1       4.130   3.555  -1.690  1.00  0.00           O  
HETATM   16  O2  UNL     1       2.398   2.106  -1.881  1.00  0.00           O  
HETATM   17  C15 UNL     1       2.475   1.637  -0.580  1.00  0.00           C  
HETATM   18  C16 UNL     1       3.798   1.052  -0.240  1.00  0.00           C  
HETATM   19  C17 UNL     1       4.141  -0.127  -1.104  1.00  0.00           C  
HETATM   20  O3  UNL     1       3.234  -1.162  -1.002  1.00  0.00           O  
HETATM   21  P1  UNL     1       3.797  -2.392  -2.035  1.00  0.00           P  
HETATM   22  O4  UNL     1       4.798  -3.194  -1.225  1.00  0.00           O  
HETATM   23  O5  UNL     1       4.561  -1.700  -3.365  1.00  0.00           O  
HETATM   24  O6  UNL     1       2.522  -3.339  -2.564  1.00  0.00           O  
HETATM   25  P2  UNL     1       1.786  -4.038  -1.207  1.00  0.00           P  
HETATM   26  O7  UNL     1       2.131  -3.205   0.008  1.00  0.00           O  
HETATM   27  O8  UNL     1       2.363  -5.599  -1.055  1.00  0.00           O  
HETATM   28  O9  UNL     1       0.119  -3.964  -1.480  1.00  0.00           O  
HETATM   29  C18 UNL     1      -0.528  -3.322  -0.411  1.00  0.00           C  
HETATM   30  C19 UNL     1      -2.007  -3.291  -0.731  1.00  0.00           C  
HETATM   31  O10 UNL     1      -2.528  -4.574  -0.886  1.00  0.00           O  
HETATM   32  C20 UNL     1      -3.912  -4.283  -0.854  1.00  0.00           C  
HETATM   33  N1  UNL     1      -4.673  -5.484  -0.971  1.00  0.00           N  
HETATM   34  C21 UNL     1      -4.104  -6.691  -0.796  1.00  0.00           C  
HETATM   35  C22 UNL     1      -4.832  -7.867  -0.907  1.00  0.00           C  
HETATM   36  C23 UNL     1      -6.178  -7.836  -1.205  1.00  0.00           C  
HETATM   37  N2  UNL     1      -6.949  -9.025  -1.325  1.00  0.00           N  
HETATM   38  N3  UNL     1      -6.724  -6.597  -1.376  1.00  0.00           N  
HETATM   39  C24 UNL     1      -5.985  -5.474  -1.260  1.00  0.00           C  
HETATM   40  O11 UNL     1      -6.556  -4.344  -1.433  1.00  0.00           O  
HETATM   41  C25 UNL     1      -4.030  -3.573   0.452  1.00  0.00           C  
HETATM   42  O12 UNL     1      -3.829  -4.443   1.514  1.00  0.00           O  
HETATM   43  C26 UNL     1      -2.798  -2.659   0.402  1.00  0.00           C  
HETATM   44  O13 UNL     1      -2.065  -2.741   1.563  1.00  0.00           O  
HETATM   45  O14 UNL     1       3.783   0.569   1.125  1.00  0.00           O  
HETATM   46  C27 UNL     1       4.591   1.074   2.105  1.00  0.00           C  
HETATM   47  O15 UNL     1       5.400   1.995   1.850  1.00  0.00           O  
HETATM   48  C28 UNL     1       4.496   0.524   3.465  1.00  0.00           C  
HETATM   49  C29 UNL     1       5.374   1.191   4.475  1.00  0.00           C  
HETATM   50  C30 UNL     1       5.107   2.655   4.634  1.00  0.00           C  
HETATM   51  C31 UNL     1       3.652   2.912   5.053  1.00  0.00           C  
HETATM   52  C32 UNL     1       3.408   4.381   5.206  1.00  0.00           C  
HETATM   53  C33 UNL     1       2.003   4.743   5.607  1.00  0.00           C  
HETATM   54  C34 UNL     1       1.047   4.263   4.560  1.00  0.00           C  
HETATM   55  C35 UNL     1      -0.391   4.599   4.878  1.00  0.00           C  
HETATM   56  C36 UNL     1      -0.859   3.993   6.174  1.00  0.00           C  
HETATM   57  C37 UNL     1      -2.305   4.384   6.398  1.00  0.00           C  
HETATM   58  C38 UNL     1      -2.489   5.878   6.476  1.00  0.00           C  
HETATM   59  C39 UNL     1      -2.821   3.700   7.656  1.00  0.00           C  
HETATM   60  H1  UNL     1      -5.317   0.471  -3.292  1.00  0.00           H  
HETATM   61  H2  UNL     1      -5.688   2.202  -3.335  1.00  0.00           H  
HETATM   62  H3  UNL     1      -5.133   1.412  -4.873  1.00  0.00           H  
HETATM   63  H4  UNL     1      -3.371   1.303  -2.440  1.00  0.00           H  
HETATM   64  H5  UNL     1      -4.475   3.728  -2.836  1.00  0.00           H  
HETATM   65  H6  UNL     1      -3.314   3.842  -4.181  1.00  0.00           H  
HETATM   66  H7  UNL     1      -2.694   3.565  -2.521  1.00  0.00           H  
HETATM   67  H8  UNL     1      -1.605   1.692  -4.084  1.00  0.00           H  
HETATM   68  H9  UNL     1      -2.801   1.797  -5.431  1.00  0.00           H  
HETATM   69  H10 UNL     1      -2.474  -0.587  -3.569  1.00  0.00           H  
HETATM   70  H11 UNL     1      -3.686  -0.494  -4.844  1.00  0.00           H  
HETATM   71  H12 UNL     1      -1.862  -0.207  -6.571  1.00  0.00           H  
HETATM   72  H13 UNL     1      -1.772  -1.805  -5.662  1.00  0.00           H  
HETATM   73  H14 UNL     1      -0.081  -0.640  -4.124  1.00  0.00           H  
HETATM   74  H15 UNL     1      -0.295   0.785  -5.278  1.00  0.00           H  
HETATM   75  H16 UNL     1       0.357  -0.538  -7.188  1.00  0.00           H  
HETATM   76  H17 UNL     1       0.415  -2.035  -6.214  1.00  0.00           H  
HETATM   77  H18 UNL     1       2.357  -1.346  -4.957  1.00  0.00           H  
HETATM   78  H19 UNL     1       2.686  -1.533  -6.671  1.00  0.00           H  
HETATM   79  H20 UNL     1       3.970   0.172  -5.771  1.00  0.00           H  
HETATM   80  H21 UNL     1       2.876   1.000  -6.903  1.00  0.00           H  
HETATM   81  H22 UNL     1       1.499   1.773  -4.955  1.00  0.00           H  
HETATM   82  H23 UNL     1       2.683   0.913  -3.835  1.00  0.00           H  
HETATM   83  H24 UNL     1       3.266   3.032  -5.875  1.00  0.00           H  
HETATM   84  H25 UNL     1       4.513   2.276  -4.842  1.00  0.00           H  
HETATM   85  H26 UNL     1       3.780   4.451  -3.922  1.00  0.00           H  
HETATM   86  H27 UNL     1       2.074   3.960  -3.987  1.00  0.00           H  
HETATM   87  H28 UNL     1       2.327   2.545   0.091  1.00  0.00           H  
HETATM   88  H29 UNL     1       1.623   0.955  -0.318  1.00  0.00           H  
HETATM   89  H30 UNL     1       4.572   1.836  -0.259  1.00  0.00           H  
HETATM   90  H31 UNL     1       4.207   0.249  -2.150  1.00  0.00           H  
HETATM   91  H32 UNL     1       5.183  -0.502  -0.871  1.00  0.00           H  
HETATM   92  H33 UNL     1       5.525  -1.895  -3.324  1.00  0.00           H  
HETATM   93  H34 UNL     1       2.840  -5.670  -0.186  1.00  0.00           H  
HETATM   94  H35 UNL     1      -0.140  -2.293  -0.382  1.00  0.00           H  
HETATM   95  H36 UNL     1      -0.331  -3.897   0.492  1.00  0.00           H  
HETATM   96  H37 UNL     1      -2.182  -2.765  -1.694  1.00  0.00           H  
HETATM   97  H38 UNL     1      -4.078  -3.552  -1.678  1.00  0.00           H  
HETATM   98  H39 UNL     1      -3.046  -6.738  -0.561  1.00  0.00           H  
HETATM   99  H40 UNL     1      -4.362  -8.842  -0.764  1.00  0.00           H  
HETATM  100  H41 UNL     1      -7.360  -9.514  -0.519  1.00  0.00           H  
HETATM  101  H42 UNL     1      -7.122  -9.449  -2.284  1.00  0.00           H  
HETATM  102  H43 UNL     1      -4.896  -2.923   0.556  1.00  0.00           H  
HETATM  103  H44 UNL     1      -3.960  -3.951   2.370  1.00  0.00           H  
HETATM  104  H45 UNL     1      -3.088  -1.629   0.115  1.00  0.00           H  
HETATM  105  H46 UNL     1      -2.613  -2.377   2.316  1.00  0.00           H  
HETATM  106  H47 UNL     1       3.448   0.553   3.828  1.00  0.00           H  
HETATM  107  H48 UNL     1       4.768  -0.558   3.464  1.00  0.00           H  
HETATM  108  H49 UNL     1       5.123   0.713   5.466  1.00  0.00           H  
HETATM  109  H50 UNL     1       6.420   0.984   4.257  1.00  0.00           H  
HETATM  110  H51 UNL     1       5.761   2.997   5.490  1.00  0.00           H  
HETATM  111  H52 UNL     1       5.389   3.285   3.784  1.00  0.00           H  
HETATM  112  H53 UNL     1       3.026   2.488   4.238  1.00  0.00           H  
HETATM  113  H54 UNL     1       3.427   2.340   5.975  1.00  0.00           H  
HETATM  114  H55 UNL     1       3.695   4.857   4.230  1.00  0.00           H  
HETATM  115  H56 UNL     1       4.159   4.783   5.936  1.00  0.00           H  
HETATM  116  H57 UNL     1       1.957   5.828   5.770  1.00  0.00           H  
HETATM  117  H58 UNL     1       1.830   4.277   6.600  1.00  0.00           H  
HETATM  118  H59 UNL     1       1.294   4.794   3.615  1.00  0.00           H  
HETATM  119  H60 UNL     1       1.161   3.180   4.347  1.00  0.00           H  
HETATM  120  H61 UNL     1      -0.534   5.679   4.884  1.00  0.00           H  
HETATM  121  H62 UNL     1      -1.015   4.168   4.062  1.00  0.00           H  
HETATM  122  H63 UNL     1      -0.274   4.442   6.999  1.00  0.00           H  
HETATM  123  H64 UNL     1      -0.830   2.888   6.166  1.00  0.00           H  
HETATM  124  H65 UNL     1      -2.871   3.945   5.526  1.00  0.00           H  
HETATM  125  H66 UNL     1      -3.152   6.112   7.358  1.00  0.00           H  
HETATM  126  H67 UNL     1      -3.074   6.194   5.586  1.00  0.00           H  
HETATM  127  H68 UNL     1      -1.532   6.434   6.530  1.00  0.00           H  
HETATM  128  H69 UNL     1      -2.972   2.632   7.500  1.00  0.00           H  
HETATM  129  H70 UNL     1      -2.077   3.809   8.485  1.00  0.00           H  
HETATM  130  H71 UNL     1      -3.784   4.131   7.979  1.00  0.00           H  
CONECT    1    2   60   61   62
CONECT    2    3    4   63
CONECT    3   64   65   66
CONECT    4    5   67   68
CONECT    5    6   69   70
CONECT    6    7   71   72
CONECT    7    8   73   74
CONECT    8    9   75   76
CONECT    9   10   77   78
CONECT   10   11   79   80
CONECT   11   12   81   82
CONECT   12   13   83   84
CONECT   13   14   85   86
CONECT   14   15   15   16
CONECT   16   17
CONECT   17   18   87   88
CONECT   18   19   45   89
CONECT   19   20   90   91
CONECT   20   21
CONECT   21   22   22   23   24
CONECT   23   92
CONECT   24   25
CONECT   25   26   26   27   28
CONECT   27   93
CONECT   28   29
CONECT   29   30   94   95
CONECT   30   31   43   96
CONECT   31   32
CONECT   32   33   41   97
CONECT   33   34   39
CONECT   34   35   35   98
CONECT   35   36   99
CONECT   36   37   38   38
CONECT   37  100  101
CONECT   38   39
CONECT   39   40   40
CONECT   41   42   43  102
CONECT   42  103
CONECT   43   44  104
CONECT   44  105
CONECT   45   46
CONECT   46   47   47   48
CONECT   48   49  106  107
CONECT   49   50  108  109
CONECT   50   51  110  111
CONECT   51   52  112  113
CONECT   52   53  114  115
CONECT   53   54  116  117
CONECT   54   55  118  119
CONECT   55   56  120  121
CONECT   56   57  122  123
CONECT   57   58   59  124
CONECT   58  125  126  127
CONECT   59  128  129  130
END

HMDB0116194
     RDKit          3D
CDP-DG(i-14:0/i-13:0)
130131  0  0  0  0  0  0  0  0999 V2000
   -5.0176    1.4375   -3.7644 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6026    1.8112   -3.4082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5151    3.3036   -3.2219 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5945    1.3495   -4.4529 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6551   -0.1476   -4.5870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7026   -0.7157   -5.5983 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2543   -0.3364   -5.1679 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6768   -0.9278   -6.1658 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1298   -0.8102   -5.9626 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8656    0.4400   -5.9128 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5084    1.3690   -4.8029 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4643    2.6023   -4.8782 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1034    3.5596   -3.7970 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2190    3.0650   -2.4212 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1304    3.5547   -1.6899 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3981    2.1065   -1.8809 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4748    1.6375   -0.5798 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7983    1.0519   -0.2404 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.1415   -0.1267   -1.1041 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2342   -1.1617   -1.0016 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7966   -2.3921   -2.0347 P   0  0  0  0  0  5  0  0  0  0  0  0
    4.7976   -3.1945   -1.2255 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5615   -1.6999   -3.3655 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5225   -3.3391   -2.5640 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7864   -4.0384   -1.2074 P   0  0  0  0  0  5  0  0  0  0  0  0
    2.1306   -3.2051    0.0076 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3626   -5.5993   -1.0549 O   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-isotetradecanoyl-2-isotridecanoyl-sn-glycero-3-CDP	SMPDB, HMDB
1-isotetradecanoyl-2-isotridecanoyl-sn-glycero-3-cytidine-5'-diphosphate	SMPDB, HMDB
CDP-DG(i-14:0/i-13:0)	SMPDB
CDP-DG(27:0)	SMPDB, HMDB
CDP-diacylglycerol(i-14:0/i-13:0)	SMPDB, HMDB
CDP-diacylglycerol(27:0)	SMPDB, HMDB
{[(2R,3R,5R)-3,4-dihydroxy-5-(2-hydroxy-4-imino-1,4-dihydropyrimidin-1-yl)oxolan-2-yl]methoxy}({hydroxy[(2R)-2-[(11-methyldodecanoyl)oxy]-3-[(12-methyltridecanoyl)oxy]propoxy]phosphoryl}oxy)phosphinate	Generator, HMDB

Chemical Formula

C₃₉H₇₁N₃O₁₅P₂

Average Molecular Weight

883.951

Monoisotopic Molecular Weight

883.436042594

IUPAC Name

{[(2R,3R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({hydroxy[(2R)-2-[(11-methyldodecanoyl)oxy]-3-[(12-methyltridecanoyl)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)-2-[(11-methyldodecanoyl)oxy]-3-[(12-methyltridecanoyl)oxy]propoxy)phosphoryl]oxy)phosphinic acid

CAS Registry Number

Not Available

SMILES

[H][C@@](COC(=O)CCCCCCCCCCC(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)CCCCCCCCCC(C)C

InChI Identifier

InChI=1S/C39H71N3O15P2/c1-29(2)20-16-12-8-5-6-10-14-18-22-34(43)52-26-31(55-35(44)23-19-15-11-7-9-13-17-21-30(3)4)27-53-58(48,49)57-59(50,51)54-28-32-36(45)37(46)38(56-32)42-25-24-33(40)41-39(42)47/h24-25,29-32,36-38,45-46H,5-23,26-28H2,1-4H3,(H,48,49)(H,50,51)(H2,40,41,47)/t31-,32-,36+,37?,38-/m1/s1

InChI Key

BVUBOKMWRISSMF-YPOSWXDASA-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

Physiological effect

Not Available

Disposition

Not Available

Process

Naturally occurring process

Biological process

Biochemical pathway

Disease pathway

Cardiolipin Biosynthesis CL(a-13:0/18:2(9Z,11Z)/i-14:0/i-13:0) (PathBank: SMP0043472)
Cardiolipin Biosynthesis CL(a-13:0/a-13:0/i-14:0/i-13:0) (PathBank: SMP0043794)
Cardiolipin Biosynthesis CL(a-13:0/a-15:0/i-14:0/i-13:0) (PathBank: SMP0044117)
Cardiolipin Biosynthesis CL(a-13:0/a-17:0/i-14:0/i-13:0) (PathBank: SMP0044438)
Cardiolipin Biosynthesis CL(a-13:0/a-21:0/i-14:0/i-13:0) (PathBank: SMP0044762)
Cardiolipin Biosynthesis CL(a-13:0/a-25:0/i-14:0/i-13:0) (PathBank: SMP0045085)
Cardiolipin Biosynthesis CL(a-13:0/i-12:0/i-14:0/i-13:0) (PathBank: SMP0045407)
Cardiolipin Biosynthesis CL(a-13:0/i-13:0/i-14:0/i-13:0) (PathBank: SMP0045727)
Cardiolipin Biosynthesis CL(a-13:0/i-14:0/i-14:0/i-13:0) (PathBank: SMP0046049)
Cardiolipin Biosynthesis CL(a-13:0/i-15:0/i-14:0/i-13:0) (PathBank: SMP0046373)
Cardiolipin Biosynthesis CL(a-13:0/i-16:0/i-14:0/i-13:0) (PathBank: SMP0046695)
Cardiolipin Biosynthesis CL(a-13:0/i-17:0/i-14:0/i-13:0) (PathBank: SMP0047019)
Cardiolipin Biosynthesis CL(a-13:0/i-18:0/i-14:0/i-13:0) (PathBank: SMP0047340)
Cardiolipin Biosynthesis CL(a-13:0/i-19:0/i-14:0/i-13:0) (PathBank: SMP0047664)
Cardiolipin Biosynthesis CL(a-13:0/i-20:0/i-14:0/i-13:0) (PathBank: SMP0047985)
Cardiolipin Biosynthesis CL(a-13:0/i-21:0/i-14:0/i-13:0) (PathBank: SMP0048305)
Cardiolipin Biosynthesis CL(a-13:0/i-22:0/i-14:0/i-13:0) (PathBank: SMP0048628)
Cardiolipin Biosynthesis CL(a-13:0/i-24:0/i-14:0/i-13:0) (PathBank: SMP0048950)
Cardiolipin Biosynthesis CL(i-12:0/18:2(9Z,11Z)/i-14:0/i-13:0) (PathBank: SMP0049273)
Cardiolipin Biosynthesis CL(i-12:0/a-13:0/i-14:0/i-13:0) (PathBank: SMP0049596)
Cardiolipin Biosynthesis CL(i-12:0/a-15:0/i-14:0/i-13:0) (PathBank: SMP0049918)
Cardiolipin Biosynthesis CL(i-12:0/a-17:0/i-14:0/i-13:0) (PathBank: SMP0050242)
Cardiolipin Biosynthesis CL(i-12:0/a-21:0/i-14:0/i-13:0) (PathBank: SMP0050564)
Cardiolipin Biosynthesis CL(i-12:0/a-25:0/i-14:0/i-13:0) (PathBank: SMP0050888)
Cardiolipin Biosynthesis CL(i-12:0/i-12:0/i-14:0/i-13:0) (PathBank: SMP0051213)
Cardiolipin Biosynthesis CL(i-12:0/i-13:0/i-14:0/i-13:0) (PathBank: SMP0051537)
Cardiolipin Biosynthesis CL(i-12:0/i-14:0/i-14:0/i-13:0) (PathBank: SMP0051860)
Cardiolipin Biosynthesis CL(i-12:0/i-15:0/i-14:0/i-13:0) (PathBank: SMP0052183)
Cardiolipin Biosynthesis CL(i-12:0/i-16:0/i-14:0/i-13:0) (PathBank: SMP0052505)
Cardiolipin Biosynthesis CL(i-12:0/i-17:0/i-14:0/i-13:0) (PathBank: SMP0052829)
Cardiolipin Biosynthesis CL(i-12:0/i-18:0/i-14:0/i-13:0) (PathBank: SMP0053152)
Cardiolipin Biosynthesis CL(i-12:0/i-19:0/i-14:0/i-13:0) (PathBank: SMP0053475)
Cardiolipin Biosynthesis CL(i-12:0/i-20:0/i-14:0/i-13:0) (PathBank: SMP0053797)
Cardiolipin Biosynthesis CL(i-12:0/i-21:0/i-14:0/i-13:0) (PathBank: SMP0054122)
Cardiolipin Biosynthesis CL(i-12:0/i-22:0/i-14:0/i-13:0) (PathBank: SMP0054444)
Cardiolipin Biosynthesis CL(i-12:0/i-24:0/i-14:0/i-13:0) (PathBank: SMP0054765)
Cardiolipin Biosynthesis CL(i-13:0/18:2(9Z,11Z)/i-14:0/i-13:0) (PathBank: SMP0055089)
Cardiolipin Biosynthesis CL(i-13:0/a-13:0/i-14:0/i-13:0) (PathBank: SMP0055414)
Cardiolipin Biosynthesis CL(i-13:0/a-15:0/i-14:0/i-13:0) (PathBank: SMP0055737)
Cardiolipin Biosynthesis CL(i-13:0/a-17:0/i-14:0/i-13:0) (PathBank: SMP0056061)
Cardiolipin Biosynthesis CL(i-13:0/a-21:0/i-14:0/i-13:0) (PathBank: SMP0056385)
Cardiolipin Biosynthesis CL(i-13:0/a-25:0/i-14:0/i-13:0) (PathBank: SMP0056712)
Cardiolipin Biosynthesis CL(i-13:0/i-12:0/i-14:0/i-13:0) (PathBank: SMP0057035)
Cardiolipin Biosynthesis CL(i-13:0/i-13:0/i-14:0/i-13:0) (PathBank: SMP0057357)
Cardiolipin Biosynthesis CL(i-13:0/i-14:0/i-14:0/i-13:0) (PathBank: SMP0057690)
Cardiolipin Biosynthesis CL(i-13:0/i-15:0/i-14:0/i-13:0) (PathBank: SMP0058014)
Cardiolipin Biosynthesis CL(i-13:0/i-16:0/i-14:0/i-13:0) (PathBank: SMP0058336)
Cardiolipin Biosynthesis CL(i-13:0/i-17:0/i-14:0/i-13:0) (PathBank: SMP0058657)
Cardiolipin Biosynthesis CL(i-13:0/i-18:0/i-14:0/i-13:0) (PathBank: SMP0059000)
Cardiolipin Biosynthesis CL(i-13:0/i-19:0/i-14:0/i-13:0) (PathBank: SMP0059330)
Cardiolipin Biosynthesis CL(i-13:0/i-20:0/i-14:0/i-13:0) (PathBank: SMP0059655)
Cardiolipin Biosynthesis CL(i-13:0/i-21:0/i-14:0/i-13:0) (PathBank: SMP0059992)
Cardiolipin Biosynthesis CL(i-13:0/i-22:0/i-14:0/i-13:0) (PathBank: SMP0060330)
Cardiolipin Biosynthesis CL(i-13:0/i-24:0/i-14:0/i-13:0) (PathBank: SMP0060652)
Cardiolipin Biosynthesis CL(i-14:0/a-13:0/i-14:0/i-13:0) (PathBank: SMP0060981)
Cardiolipin Biosynthesis CL(i-14:0/a-15:0/i-14:0/i-13:0) (PathBank: SMP0061306)
Cardiolipin Biosynthesis CL(i-14:0/a-17:0/i-14:0/i-13:0) (PathBank: SMP0061579)
Cardiolipin Biosynthesis CL(i-14:0/i-12:0/i-14:0/i-13:0) (PathBank: SMP0061798)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/18:2(9Z,11Z)/18:2(9Z,11Z)) (PathBank: SMP0061969)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/18:2(9Z,11Z)/a-13:0) (PathBank: SMP0061970)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/18:2(9Z,11Z)/a-15:0) (PathBank: SMP0061971)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/18:2(9Z,11Z)/a-17:0) (PathBank: SMP0061972)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/18:2(9Z,11Z)/a-21:0) (PathBank: SMP0061973)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/18:2(9Z,11Z)/a-25:0) (PathBank: SMP0061974)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/18:2(9Z,11Z)/i-12:0) (PathBank: SMP0061975)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/18:2(9Z,11Z)/i-13:0) (PathBank: SMP0061976)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/18:2(9Z,11Z)/i-14:0) (PathBank: SMP0061977)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/18:2(9Z,11Z)/i-15:0) (PathBank: SMP0061978)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/18:2(9Z,11Z)/i-16:0) (PathBank: SMP0061979)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/18:2(9Z,11Z)/i-17:0) (PathBank: SMP0061980)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/18:2(9Z,11Z)/i-18:0) (PathBank: SMP0061981)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/18:2(9Z,11Z)/i-19:0) (PathBank: SMP0061982)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/18:2(9Z,11Z)/i-20:0) (PathBank: SMP0061983)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/18:2(9Z,11Z)/i-21:0) (PathBank: SMP0061984)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/18:2(9Z,11Z)/i-22:0) (PathBank: SMP0061985)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/18:2(9Z,11Z)/i-24:0) (PathBank: SMP0061986)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/a-13:0/18:2(9Z,11Z)) (PathBank: SMP0061987)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/a-13:0/a-13:0) (PathBank: SMP0061988)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/a-13:0/a-15:0) (PathBank: SMP0061989)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/a-13:0/a-17:0) (PathBank: SMP0061990)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/a-13:0/a-21:0) (PathBank: SMP0061991)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/a-13:0/a-25:0) (PathBank: SMP0061992)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/a-13:0/i-12:0) (PathBank: SMP0061993)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/a-13:0/i-13:0) (PathBank: SMP0061994)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/a-13:0/i-14:0) (PathBank: SMP0061995)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/a-13:0/i-15:0) (PathBank: SMP0061996)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/a-13:0/i-16:0) (PathBank: SMP0061997)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/a-13:0/i-17:0) (PathBank: SMP0061998)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/a-13:0/i-18:0) (PathBank: SMP0061999)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/a-13:0/i-19:0) (PathBank: SMP0062000)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/a-13:0/i-20:0) (PathBank: SMP0062001)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/a-13:0/i-21:0) (PathBank: SMP0062002)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/a-13:0/i-22:0) (PathBank: SMP0062003)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/a-13:0/i-24:0) (PathBank: SMP0062004)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/a-15:0/18:2(9Z,11Z)) (PathBank: SMP0062005)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/a-15:0/a-13:0) (PathBank: SMP0062006)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/a-15:0/a-15:0) (PathBank: SMP0062007)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/a-15:0/a-17:0) (PathBank: SMP0062008)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/a-15:0/a-21:0) (PathBank: SMP0062009)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/a-15:0/a-25:0) (PathBank: SMP0062010)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/a-15:0/i-12:0) (PathBank: SMP0062011)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/a-15:0/i-13:0) (PathBank: SMP0062012)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/a-15:0/i-14:0) (PathBank: SMP0062013)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/a-15:0/i-15:0) (PathBank: SMP0062014)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/a-15:0/i-16:0) (PathBank: SMP0062015)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/a-15:0/i-17:0) (PathBank: SMP0062016)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/a-15:0/i-18:0) (PathBank: SMP0062017)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/a-15:0/i-19:0) (PathBank: SMP0062018)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/a-15:0/i-20:0) (PathBank: SMP0062019)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/a-15:0/i-21:0) (PathBank: SMP0062020)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/a-15:0/i-22:0) (PathBank: SMP0062021)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/a-15:0/i-24:0) (PathBank: SMP0062022)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/a-17:0/18:2(9Z,11Z)) (PathBank: SMP0062023)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/a-17:0/a-13:0) (PathBank: SMP0062024)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/a-17:0/a-15:0) (PathBank: SMP0062025)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/a-17:0/a-17:0) (PathBank: SMP0062026)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/a-17:0/a-21:0) (PathBank: SMP0062027)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/a-17:0/a-25:0) (PathBank: SMP0062028)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/a-17:0/i-12:0) (PathBank: SMP0062029)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/a-17:0/i-13:0) (PathBank: SMP0062030)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/a-17:0/i-14:0) (PathBank: SMP0062031)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/a-17:0/i-15:0) (PathBank: SMP0062032)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/a-17:0/i-16:0) (PathBank: SMP0062033)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/a-17:0/i-17:0) (PathBank: SMP0062034)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/a-17:0/i-18:0) (PathBank: SMP0062035)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/a-17:0/i-19:0) (PathBank: SMP0062036)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/a-17:0/i-20:0) (PathBank: SMP0062037)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/a-17:0/i-21:0) (PathBank: SMP0062038)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/a-17:0/i-22:0) (PathBank: SMP0062039)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/a-17:0/i-24:0) (PathBank: SMP0062040)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/a-21:0/18:2(9Z,11Z)) (PathBank: SMP0062041)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/a-21:0/a-13:0) (PathBank: SMP0062042)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/a-21:0/a-15:0) (PathBank: SMP0062043)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/a-21:0/a-17:0) (PathBank: SMP0062044)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/a-21:0/a-21:0) (PathBank: SMP0062045)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/a-21:0/a-25:0) (PathBank: SMP0062046)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/a-21:0/i-12:0) (PathBank: SMP0062047)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/a-21:0/i-13:0) (PathBank: SMP0062048)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/a-21:0/i-14:0) (PathBank: SMP0062049)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/a-21:0/i-15:0) (PathBank: SMP0062050)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/a-21:0/i-16:0) (PathBank: SMP0062051)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/a-21:0/i-17:0) (PathBank: SMP0062052)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/a-21:0/i-18:0) (PathBank: SMP0062053)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/a-21:0/i-19:0) (PathBank: SMP0062054)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/a-21:0/i-20:0) (PathBank: SMP0062055)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/a-21:0/i-21:0) (PathBank: SMP0062056)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/a-21:0/i-22:0) (PathBank: SMP0062057)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/a-21:0/i-24:0) (PathBank: SMP0062058)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/a-25:0/18:2(9Z,11Z)) (PathBank: SMP0062059)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/a-25:0/a-13:0) (PathBank: SMP0062060)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/a-25:0/a-15:0) (PathBank: SMP0062061)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/a-25:0/a-17:0) (PathBank: SMP0062062)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/a-25:0/a-21:0) (PathBank: SMP0062063)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/a-25:0/a-25:0) (PathBank: SMP0062064)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/a-25:0/i-12:0) (PathBank: SMP0062065)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/a-25:0/i-13:0) (PathBank: SMP0062066)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/a-25:0/i-14:0) (PathBank: SMP0062067)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/a-25:0/i-15:0) (PathBank: SMP0062068)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/a-25:0/i-16:0) (PathBank: SMP0062069)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/a-25:0/i-17:0) (PathBank: SMP0062070)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/a-25:0/i-18:0) (PathBank: SMP0062071)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/a-25:0/i-19:0) (PathBank: SMP0062072)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/a-25:0/i-20:0) (PathBank: SMP0062073)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/a-25:0/i-21:0) (PathBank: SMP0062074)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/a-25:0/i-22:0) (PathBank: SMP0062075)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/a-25:0/i-24:0) (PathBank: SMP0062076)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-12:0/18:2(9Z,11Z)) (PathBank: SMP0062077)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-12:0/a-13:0) (PathBank: SMP0062078)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-12:0/a-15:0) (PathBank: SMP0062079)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-12:0/a-17:0) (PathBank: SMP0062080)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-12:0/a-21:0) (PathBank: SMP0062081)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-12:0/a-25:0) (PathBank: SMP0062082)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-12:0/i-12:0) (PathBank: SMP0062083)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-12:0/i-13:0) (PathBank: SMP0062084)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-12:0/i-14:0) (PathBank: SMP0062085)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-12:0/i-15:0) (PathBank: SMP0062086)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-12:0/i-16:0) (PathBank: SMP0062087)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-12:0/i-17:0) (PathBank: SMP0062088)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-12:0/i-18:0) (PathBank: SMP0062089)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-12:0/i-19:0) (PathBank: SMP0062090)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-12:0/i-20:0) (PathBank: SMP0062091)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-12:0/i-21:0) (PathBank: SMP0062092)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-12:0/i-22:0) (PathBank: SMP0062093)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-12:0/i-24:0) (PathBank: SMP0062094)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-13:0/18:2(9Z,11Z)) (PathBank: SMP0062095)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-13:0/a-13:0) (PathBank: SMP0062096)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-13:0/a-15:0) (PathBank: SMP0062097)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-13:0/a-17:0) (PathBank: SMP0062098)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-13:0/a-21:0) (PathBank: SMP0062099)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-13:0/a-25:0) (PathBank: SMP0062100)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-13:0/i-12:0) (PathBank: SMP0062101)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-13:0/i-13:0) (PathBank: SMP0062102)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-13:0/i-14:0) (PathBank: SMP0062103)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-13:0/i-15:0) (PathBank: SMP0062104)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-13:0/i-16:0) (PathBank: SMP0062105)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-13:0/i-17:0) (PathBank: SMP0062106)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-13:0/i-18:0) (PathBank: SMP0062107)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-13:0/i-19:0) (PathBank: SMP0062108)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-13:0/i-20:0) (PathBank: SMP0062109)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-13:0/i-21:0) (PathBank: SMP0062110)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-13:0/i-22:0) (PathBank: SMP0062111)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-13:0/i-24:0) (PathBank: SMP0062112)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-14:0/18:2(9Z,11Z)) (PathBank: SMP0062113)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-14:0/a-13:0) (PathBank: SMP0062114)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-14:0/a-15:0) (PathBank: SMP0062115)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-14:0/a-17:0) (PathBank: SMP0062116)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-14:0/a-21:0) (PathBank: SMP0062117)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-14:0/a-25:0) (PathBank: SMP0062118)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-14:0/i-12:0) (PathBank: SMP0062119)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-14:0/i-13:0) (PathBank: SMP0062120)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-14:0/i-14:0) (PathBank: SMP0062121)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-14:0/i-15:0) (PathBank: SMP0062122)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-14:0/i-16:0) (PathBank: SMP0062123)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-14:0/i-17:0) (PathBank: SMP0062124)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-14:0/i-18:0) (PathBank: SMP0062125)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-14:0/i-19:0) (PathBank: SMP0062126)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-14:0/i-20:0) (PathBank: SMP0062127)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-14:0/i-21:0) (PathBank: SMP0062128)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-14:0/i-22:0) (PathBank: SMP0062129)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-14:0/i-24:0) (PathBank: SMP0062130)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-15:0/18:2(9Z,11Z)) (PathBank: SMP0062131)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-15:0/a-13:0) (PathBank: SMP0062132)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-15:0/a-15:0) (PathBank: SMP0062133)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-15:0/a-17:0) (PathBank: SMP0062134)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-15:0/a-21:0) (PathBank: SMP0062135)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-15:0/a-25:0) (PathBank: SMP0062136)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-15:0/i-12:0) (PathBank: SMP0062137)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-15:0/i-13:0) (PathBank: SMP0062138)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-15:0/i-14:0) (PathBank: SMP0062139)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-15:0/i-15:0) (PathBank: SMP0062140)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-15:0/i-16:0) (PathBank: SMP0062141)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-15:0/i-17:0) (PathBank: SMP0062142)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-15:0/i-18:0) (PathBank: SMP0062143)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-15:0/i-19:0) (PathBank: SMP0062144)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-15:0/i-20:0) (PathBank: SMP0062145)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-15:0/i-21:0) (PathBank: SMP0062146)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-15:0/i-22:0) (PathBank: SMP0062147)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-15:0/i-24:0) (PathBank: SMP0062148)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-16:0/18:2(9Z,11Z)) (PathBank: SMP0062149)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-16:0/a-13:0) (PathBank: SMP0062150)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-16:0/a-15:0) (PathBank: SMP0062151)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-16:0/a-17:0) (PathBank: SMP0062152)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-16:0/a-21:0) (PathBank: SMP0062153)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-16:0/a-25:0) (PathBank: SMP0062154)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-16:0/i-12:0) (PathBank: SMP0062155)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-16:0/i-13:0) (PathBank: SMP0062156)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-16:0/i-14:0) (PathBank: SMP0062157)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-16:0/i-15:0) (PathBank: SMP0062158)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-16:0/i-16:0) (PathBank: SMP0062159)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-16:0/i-17:0) (PathBank: SMP0062160)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-16:0/i-18:0) (PathBank: SMP0062161)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-16:0/i-19:0) (PathBank: SMP0062162)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-16:0/i-20:0) (PathBank: SMP0062163)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-16:0/i-21:0) (PathBank: SMP0062164)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-16:0/i-22:0) (PathBank: SMP0062165)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-16:0/i-24:0) (PathBank: SMP0062166)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-17:0/18:2(9Z,11Z)) (PathBank: SMP0062167)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-17:0/a-13:0) (PathBank: SMP0062168)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-17:0/a-15:0) (PathBank: SMP0062169)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-17:0/a-17:0) (PathBank: SMP0062170)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-17:0/a-21:0) (PathBank: SMP0062171)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-17:0/a-25:0) (PathBank: SMP0062172)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-17:0/i-12:0) (PathBank: SMP0062173)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-17:0/i-13:0) (PathBank: SMP0062174)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-17:0/i-14:0) (PathBank: SMP0062175)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-17:0/i-15:0) (PathBank: SMP0062176)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-17:0/i-16:0) (PathBank: SMP0062177)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-17:0/i-17:0) (PathBank: SMP0062178)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-17:0/i-18:0) (PathBank: SMP0062179)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-17:0/i-19:0) (PathBank: SMP0062180)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-17:0/i-20:0) (PathBank: SMP0062181)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-17:0/i-21:0) (PathBank: SMP0062182)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-17:0/i-22:0) (PathBank: SMP0062183)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-17:0/i-24:0) (PathBank: SMP0062184)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-18:0/18:2(9Z,11Z)) (PathBank: SMP0062185)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-18:0/a-13:0) (PathBank: SMP0062186)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-18:0/a-15:0) (PathBank: SMP0062187)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-18:0/a-17:0) (PathBank: SMP0062188)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-18:0/a-21:0) (PathBank: SMP0062189)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-18:0/a-25:0) (PathBank: SMP0062190)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-18:0/i-12:0) (PathBank: SMP0062191)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-18:0/i-13:0) (PathBank: SMP0062192)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-18:0/i-14:0) (PathBank: SMP0062193)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-18:0/i-15:0) (PathBank: SMP0062194)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-18:0/i-16:0) (PathBank: SMP0062195)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-18:0/i-17:0) (PathBank: SMP0062196)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-18:0/i-18:0) (PathBank: SMP0062197)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-18:0/i-19:0) (PathBank: SMP0062198)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-18:0/i-20:0) (PathBank: SMP0062199)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-18:0/i-21:0) (PathBank: SMP0062200)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-18:0/i-24:0) (PathBank: SMP0062201)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-19:0/18:2(9Z,11Z)) (PathBank: SMP0062202)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-19:0/a-13:0) (PathBank: SMP0062203)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-19:0/a-15:0) (PathBank: SMP0062204)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-19:0/a-17:0) (PathBank: SMP0062205)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-19:0/a-21:0) (PathBank: SMP0062206)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-19:0/a-25:0) (PathBank: SMP0062207)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-19:0/i-12:0) (PathBank: SMP0062208)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-19:0/i-13:0) (PathBank: SMP0062209)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-19:0/i-14:0) (PathBank: SMP0062210)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-19:0/i-15:0) (PathBank: SMP0062211)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-19:0/i-16:0) (PathBank: SMP0062212)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-19:0/i-17:0) (PathBank: SMP0062213)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-19:0/i-18:0) (PathBank: SMP0062214)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-19:0/i-19:0) (PathBank: SMP0062215)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-19:0/i-20:0) (PathBank: SMP0062216)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-19:0/i-21:0) (PathBank: SMP0062217)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-19:0/i-22:0) (PathBank: SMP0062218)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-19:0/i-24:0) (PathBank: SMP0062219)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-20:0/18:2(9Z,11Z)) (PathBank: SMP0062220)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-20:0/a-13:0) (PathBank: SMP0062221)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-20:0/a-15:0) (PathBank: SMP0062222)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-20:0/a-17:0) (PathBank: SMP0062223)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-20:0/a-21:0) (PathBank: SMP0062224)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-20:0/a-25:0) (PathBank: SMP0062225)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-20:0/i-12:0) (PathBank: SMP0062226)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-20:0/i-13:0) (PathBank: SMP0062227)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-20:0/i-14:0) (PathBank: SMP0062228)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-20:0/i-15:0) (PathBank: SMP0062229)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-20:0/i-16:0) (PathBank: SMP0062230)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-20:0/i-17:0) (PathBank: SMP0062231)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-20:0/i-18:0) (PathBank: SMP0062232)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-20:0/i-19:0) (PathBank: SMP0062233)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-20:0/i-20:0) (PathBank: SMP0062234)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-20:0/i-21:0) (PathBank: SMP0062235)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-20:0/i-22:0) (PathBank: SMP0062236)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-20:0/i-24:0) (PathBank: SMP0062237)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-21:0/18:2(9Z,11Z)) (PathBank: SMP0062238)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-21:0/a-13:0) (PathBank: SMP0062239)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-21:0/a-15:0) (PathBank: SMP0062240)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-21:0/a-17:0) (PathBank: SMP0062241)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-21:0/a-21:0) (PathBank: SMP0062242)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-21:0/a-25:0) (PathBank: SMP0062243)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-21:0/i-12:0) (PathBank: SMP0062244)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-21:0/i-13:0) (PathBank: SMP0062245)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-21:0/i-14:0) (PathBank: SMP0062246)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-21:0/i-15:0) (PathBank: SMP0062247)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-21:0/i-16:0) (PathBank: SMP0062248)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-21:0/i-17:0) (PathBank: SMP0062249)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-21:0/i-18:0) (PathBank: SMP0062250)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-21:0/i-19:0) (PathBank: SMP0062251)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-21:0/i-20:0) (PathBank: SMP0062252)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-21:0/i-21:0) (PathBank: SMP0062253)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-21:0/i-22:0) (PathBank: SMP0062254)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-21:0/i-24:0) (PathBank: SMP0062255)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-22:0/18:2(9Z,11Z)) (PathBank: SMP0062256)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-22:0/a-13:0) (PathBank: SMP0062257)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-22:0/a-15:0) (PathBank: SMP0062258)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-22:0/a-17:0) (PathBank: SMP0062259)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-22:0/a-21:0) (PathBank: SMP0062260)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-22:0/a-25:0) (PathBank: SMP0062261)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-22:0/i-12:0) (PathBank: SMP0062262)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-22:0/i-13:0) (PathBank: SMP0062263)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-22:0/i-14:0) (PathBank: SMP0062264)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-22:0/i-15:0) (PathBank: SMP0062265)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-22:0/i-16:0) (PathBank: SMP0062266)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-22:0/i-17:0) (PathBank: SMP0062267)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-22:0/i-18:0) (PathBank: SMP0062268)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-22:0/i-19:0) (PathBank: SMP0062269)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-22:0/i-20:0) (PathBank: SMP0062270)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-22:0/i-21:0) (PathBank: SMP0062271)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-22:0/i-22:0) (PathBank: SMP0062272)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-22:0/i-24:0) (PathBank: SMP0062273)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-24:0/18:2(9Z,11Z)) (PathBank: SMP0062274)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-24:0/a-13:0) (PathBank: SMP0062275)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-24:0/a-15:0) (PathBank: SMP0062276)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-24:0/a-17:0) (PathBank: SMP0062277)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-24:0/a-21:0) (PathBank: SMP0062278)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-24:0/a-25:0) (PathBank: SMP0062279)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-24:0/i-12:0) (PathBank: SMP0062280)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-24:0/i-13:0) (PathBank: SMP0062281)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-24:0/i-14:0) (PathBank: SMP0062282)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-24:0/i-15:0) (PathBank: SMP0062283)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-24:0/i-16:0) (PathBank: SMP0062284)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-24:0/i-17:0) (PathBank: SMP0062285)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-24:0/i-18:0) (PathBank: SMP0062286)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-24:0/i-19:0) (PathBank: SMP0062287)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-24:0/i-20:0) (PathBank: SMP0062288)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-24:0/i-21:0) (PathBank: SMP0062289)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-24:0/i-22:0) (PathBank: SMP0062290)
Cardiolipin Biosynthesis CL(i-14:0/i-13:0/i-24:0/i-24:0) (PathBank: SMP0062291)
Cardiolipin Biosynthesis CL(i-14:0/i-14:0/i-14:0/i-13:0) (PathBank: SMP0062443)
Cardiolipin Biosynthesis CL(i-14:0/i-15:0/i-14:0/i-13:0) (PathBank: SMP0062770)
Cardiolipin Biosynthesis CL(i-14:0/i-16:0/i-14:0/i-13:0) (PathBank: SMP0063106)
Cardiolipin Biosynthesis CL(i-14:0/i-17:0/i-14:0/i-13:0) (PathBank: SMP0063379)

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	4.33	ALOGPS
logP	7.02	ChemAxon
logS	-4.4	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	35	ChemAxon
Refractivity	217.1 m³·mol⁻¹	ChemAxon
Polarizability	93.47 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]+	266.661	30932474
DeepCCS	[M-H]-	264.836	30932474
DeepCCS	[M-2H]-	298.471	30932474
DeepCCS	[M+Na]+	272.267	30932474
AllCCS	[M+H]+	285.9	32859911
AllCCS	[M+H-H2O]+	286.3	32859911
AllCCS	[M+NH4]+	285.6	32859911
AllCCS	[M+Na]+	285.5	32859911
AllCCS	[M-H]-	277.5	32859911
AllCCS	[M+Na-2H]-	283.7	32859911
AllCCS	[M+HCOO]-	290.5	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
CDP-DG(i-14:0/i-13:0)	[H][C@@](COC(=O)CCCCCCCCCCC(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)CCCCCCCCCC(C)C	5604.3	Standard polar	33892256
CDP-DG(i-14:0/i-13:0)	[H][C@@](COC(=O)CCCCCCCCCCC(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)CCCCCCCCCC(C)C	5205.1	Standard non polar	33892256
CDP-DG(i-14:0/i-13:0)	[H][C@@](COC(=O)CCCCCCCCCCC(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)CCCCCCCCCC(C)C	6114.1	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-14:0/i-13:0) 10V, Positive-QTOF	splash10-03di-0910001010-18a62998a640893ee5e8	2019-02-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - CDP-DG(i-14:0/i-13:0) 20V, Positive-QTOF	splash10-03di-1900000000-f57226f4b92e9344101a	2019-02-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - CDP-DG(i-14:0/i-13:0) 40V, Positive-QTOF	splash10-03di-3910000000-6cec7576d2a606a1f27b	2019-02-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - CDP-DG(i-14:0/i-13:0) 10V, Negative-QTOF	splash10-0bt9-0890003030-4a2d1e96ccdc105c0fc5	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - CDP-DG(i-14:0/i-13:0) 20V, Negative-QTOF	splash10-06vi-5982303010-58e436d306fdf1d30d6a	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - CDP-DG(i-14:0/i-13:0) 40V, Negative-QTOF	splash10-0bvi-5921000000-aef31c192ca201d4785c	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - CDP-DG(i-14:0/i-13:0) 10V, Positive-QTOF	splash10-001i-0100100290-d898d5b855c299c2513d	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - CDP-DG(i-14:0/i-13:0) 20V, Positive-QTOF	splash10-11di-4100000690-b467331a7d75724e7b50	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - CDP-DG(i-14:0/i-13:0) 40V, Positive-QTOF	splash10-0udi-0129100000-b272441cac2f40409e81	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - CDP-DG(i-14:0/i-13:0) 10V, Negative-QTOF	splash10-001i-0000001090-cb916b48413f17ffb5d9	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - CDP-DG(i-14:0/i-13:0) 20V, Negative-QTOF	splash10-004i-9230713010-9a832c96998754781cb1	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - CDP-DG(i-14:0/i-13:0) 40V, Negative-QTOF	splash10-0mlu-6829605040-797411c158d8c3c96536	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-14:0/i-13:0)		Not Available
Cardiolipin Biosynthesis CL(a-13:0/a-13:0/i-14:0/i-13:0)		Not Available
Cardiolipin Biosynthesis CL(a-13:0/a-15:0/i-14:0/i-13:0)		Not Available
Cardiolipin Biosynthesis CL(a-13:0/a-17:0/i-14:0/i-13:0)		Not Available
Cardiolipin Biosynthesis CL(a-13:0/a-21:0/i-14:0/i-13:0)		Not Available