data_8IJ
# 
_chem_comp.id                                    8IJ 
_chem_comp.name                                  "(2R)-3-{[(R)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctadecanoate" 
_chem_comp.type                                  non-polymer 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C45 H87 O13 P" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2023-04-20 
_chem_comp.pdbx_modified_date                    2023-05-05 
_chem_comp.pdbx_ambiguous_flag                   N 
_chem_comp.pdbx_release_status                   REL 
_chem_comp.pdbx_replaced_by                      ? 
_chem_comp.pdbx_replaces                         ? 
_chem_comp.formula_weight                        867.138 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     8IJ 
_chem_comp.pdbx_model_coordinates_details        ? 
_chem_comp.pdbx_model_coordinates_missing_flag   N 
_chem_comp.pdbx_ideal_coordinates_details        Corina 
_chem_comp.pdbx_ideal_coordinates_missing_flag   N 
_chem_comp.pdbx_model_coordinates_db_code        8GF8 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  RCSB 
# 
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.alt_atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.charge 
_chem_comp_atom.pdbx_align 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_leaving_atom_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.model_Cartn_x 
_chem_comp_atom.model_Cartn_y 
_chem_comp_atom.model_Cartn_z 
_chem_comp_atom.pdbx_model_Cartn_x_ideal 
_chem_comp_atom.pdbx_model_Cartn_y_ideal 
_chem_comp_atom.pdbx_model_Cartn_z_ideal 
_chem_comp_atom.pdbx_component_atom_id 
_chem_comp_atom.pdbx_component_comp_id 
_chem_comp_atom.pdbx_ordinal 
8IJ C5   C1  C 0 1 N N N 131.972 106.329 105.206 -2.013  -4.085 1.690  C5   8IJ 1   
8IJ C6   C2  C 0 1 N N R 130.597 105.687 105.283 -3.513  -4.021 1.392  C6   8IJ 2   
8IJ C8   C3  C 0 1 N N R 130.599 104.592 106.330 -4.287  -4.693 2.528  C8   8IJ 3   
8IJ C10  C4  C 0 1 N N N 130.799 105.161 107.723 -3.997  -3.966 3.842  C10  8IJ 4   
8IJ C17  C5  C 0 1 N N N 130.320 107.731 102.097 1.215   -3.691 -2.468 C17  8IJ 5   
8IJ C21  C6  C 0 1 N N N 128.192 104.878 98.988  -1.894  -1.113 -3.147 C21  8IJ 6   
8IJ C24  C7  C 0 1 N N N 127.550 103.042 97.406  -4.138  -0.179 -2.657 C24  8IJ 7   
8IJ C26  C8  C 0 1 N N N 128.919 101.737 95.664  -6.397  0.760  -2.150 C26  8IJ 8   
8IJ C28  C9  C 0 1 N N N 131.227 101.004 96.220  -8.656  1.700  -1.643 C28  8IJ 9   
8IJ C12  C10 C 0 1 N N S 131.523 106.503 107.693 -2.497  -4.030 4.140  C12  8IJ 10  
8IJ C14  C11 C 0 1 N N R 132.569 106.578 106.588 -1.723  -3.358 3.004  C14  8IJ 11  
8IJ C18  C12 C 0 1 N N R 130.148 107.394 100.655 1.498   -2.526 -3.418 C18  8IJ 12  
8IJ C19  C13 C 0 1 N N N 128.898 106.627 100.429 0.176   -1.973 -3.956 C19  8IJ 13  
8IJ C23  C14 C 0 1 N N N 128.190 104.403 97.579  -2.844  -0.720 -2.045 C23  8IJ 14  
8IJ C25  C15 C 0 1 N N N 127.690 102.556 95.985  -5.103  0.219  -1.538 C25  8IJ 15  
8IJ C27  C16 C 0 1 N N N 130.225 102.121 96.308  -7.362  1.159  -1.032 C27  8IJ 16  
8IJ C29  C17 C 0 1 N N N 132.617 101.376 96.626  -9.621  2.099  -0.525 C29  8IJ 17  
8IJ C37  C18 C 0 1 N N N 134.095 97.704  88.675  -18.656 5.858  1.502  C37  8IJ 18  
8IJ C38  C19 C 0 1 N N N 135.286 98.396  88.042  -19.950 6.399  0.891  C38  8IJ 19  
8IJ C39  C20 C 0 1 N N N 135.610 97.898  86.650  -20.915 6.797  2.009  C39  8IJ 20  
8IJ C41  C21 C 0 1 N N N 130.870 108.709 98.797  3.546   -1.538 -2.704 C41  8IJ 21  
8IJ C43  C22 C 0 1 N N N 130.715 110.018 98.105  4.348   -0.486 -1.983 C43  8IJ 22  
8IJ O1   O1  O 0 1 N N N 132.735 106.297 102.503 -0.812  -5.441 -0.857 O1   8IJ 23  
8IJ O11  O2  O 0 1 N N N 131.512 104.226 108.525 -4.720  -4.593 4.903  O11  8IJ 24  
8IJ O13  O3  O 0 1 N N N 130.600 107.579 107.578 -2.226  -3.351 5.368  O13  8IJ 25  
8IJ O3   O4  O 0 1 N N N 133.866 108.482 103.214 1.048   -4.661 0.661  O3   8IJ 26  
8IJ O4   O5  O 0 1 N N N 131.873 107.577 104.490 -1.290  -3.458 0.629  O4   8IJ 27  
8IJ O7   O6  O 0 1 N N N 129.577 106.643 105.538 -3.919  -2.656 1.281  O7   8IJ 28  
8IJ O9   O7  O 0 1 N N N 129.391 103.846 106.268 -5.687  -4.633 2.250  O9   8IJ 29  
8IJ C30  C23 C 0 1 N N N 133.700 100.720 95.797  -10.915 2.640  -1.136 C30  8IJ 30  
8IJ C31  C24 C 0 1 N N N 133.722 101.170 94.349  -11.880 3.038  -0.018 C31  8IJ 31  
8IJ C32  C25 C 0 1 N N N 133.662 100.040 93.340  -13.173 3.579  -0.630 C32  8IJ 32  
8IJ C33  C26 C 0 1 N N N 134.916 99.180  93.269  -14.138 3.978  0.489  C33  8IJ 33  
8IJ C34  C27 C 0 1 N N N 135.208 98.590  91.890  -15.432 4.519  -0.123 C34  8IJ 34  
8IJ C35  C28 C 0 1 N N N 134.045 97.828  91.255  -16.397 4.918  0.996  C35  8IJ 35  
8IJ C36  C29 C 0 1 N N N 133.534 98.389  89.919  -17.691 5.459  0.384  C36  8IJ 36  
8IJ C44  C30 C 0 1 N N N 129.607 109.959 97.073  5.840   -0.785 -2.139 C44  8IJ 37  
8IJ C45  C31 C 0 1 N N N 129.879 108.984 95.956  6.655   0.283  -1.407 C45  8IJ 38  
8IJ C46  C32 C 0 1 N N N 128.675 108.639 95.131  8.147   -0.017 -1.563 C46  8IJ 39  
8IJ C47  C33 C 0 1 N N N 127.612 107.878 95.863  8.961   1.052  -0.830 C47  8IJ 40  
8IJ C48  C34 C 0 1 N N N 126.546 107.305 94.961  10.453  0.752  -0.986 C48  8IJ 41  
8IJ C49  C35 C 0 1 N N N 126.860 105.951 94.388  11.267  1.821  -0.254 C49  8IJ 42  
8IJ C50  C36 C 0 1 N N N 127.351 105.953 92.980  12.759  1.521  -0.410 C50  8IJ 43  
8IJ C51  C37 C 0 1 N N N 127.699 104.574 92.527  13.573  2.590  0.322  C51  8IJ 44  
8IJ C52  C38 C 0 1 N N N 127.696 104.421 91.041  15.066  2.290  0.167  C52  8IJ 45  
8IJ C53  C39 C 0 1 N N N 128.838 105.142 90.394  15.880  3.359  0.899  C53  8IJ 46  
8IJ C54  C40 C 0 1 N N N 128.419 106.216 89.412  17.372  3.059  0.743  C54  8IJ 47  
8IJ C55  C41 C 0 1 N N N 128.104 105.712 88.037  18.186  4.127  1.475  C55  8IJ 48  
8IJ C56  C42 C 0 1 N N N 129.315 105.309 87.253  19.678  3.828  1.319  C56  8IJ 49  
8IJ C57  C43 C 0 1 N N N 129.017 104.469 86.039  20.492  4.896  2.052  C57  8IJ 50  
8IJ C58  C44 C 0 1 N N N 130.021 103.386 85.844  21.985  4.596  1.896  C58  8IJ 51  
8IJ C59  C45 C 0 1 N N N 131.391 103.923 85.710  22.799  5.665  2.628  C59  8IJ 52  
8IJ O15  O8  O 0 1 N N N 133.619 105.655 106.846 -0.322  -3.418 3.282  O15  8IJ 53  
8IJ O16  O9  O 0 1 N N N 131.544 108.452 102.287 0.318   -3.261 -1.442 O16  8IJ 54  
8IJ O20  O10 O 0 1 N N N 128.851 106.035 99.114  -0.687  -1.617 -2.844 O20  8IJ 55  
8IJ O22  O11 O 0 1 N N N 127.669 104.290 99.892  -2.218  -0.975 -4.302 O22  8IJ 56  
8IJ O40  O12 O 0 1 N N N 130.100 108.631 99.885  2.205   -1.478 -2.703 O40  8IJ 57  
8IJ O42  O13 O 0 1 N N N 131.548 107.811 98.389  4.111   -2.436 -3.284 O42  8IJ 58  
8IJ P2   P1  P 0 1 N N N 132.652 107.654 103.084 -0.198  -4.232 -0.265 P2   8IJ 59  
8IJ H5   H1  H 0 1 N N N 132.641 105.648 104.660 -1.704  -5.127 1.774  H5   8IJ 60  
8IJ H6   H2  H 0 1 N N N 130.400 105.213 104.310 -3.719  -4.539 0.455  H6   8IJ 61  
8IJ H8   H3  H 0 1 N N N 131.445 103.923 106.116 -3.977  -5.734 2.612  H8   8IJ 62  
8IJ H10  H4  H 0 1 N N N 129.805 105.327 108.164 -4.306  -2.924 3.758  H10  8IJ 63  
8IJ H17B H5  H 0 0 N N N 129.475 108.352 102.430 0.764   -4.512 -3.024 H17B 8IJ 64  
8IJ H17A H6  H 0 0 N N N 130.348 106.803 102.688 2.149   -4.027 -2.017 H17A 8IJ 65  
8IJ H24A H7  H 0 0 N N N 126.482 103.112 97.659  -3.913  0.693  -3.270 H24A 8IJ 66  
8IJ H24B H8  H 0 0 N N N 128.040 102.325 98.081  -4.597  -0.950 -3.275 H24B 8IJ 67  
8IJ H26A H9  H 0 0 N N N 128.704 100.699 95.959  -6.172  1.633  -2.764 H26A 8IJ 68  
8IJ H26B H10 H 0 0 N N N 129.067 101.786 94.575  -6.856  -0.010 -2.769 H26B 8IJ 69  
8IJ H28A H11 H 0 0 N N N 130.887 100.187 96.873  -8.431  2.572  -2.257 H28A 8IJ 70  
8IJ H28B H12 H 0 0 N N N 131.257 100.653 95.178  -9.115  0.929  -2.262 H28B 8IJ 71  
8IJ H12  H13 H 0 1 N N N 132.056 106.604 108.650 -2.188  -5.071 4.225  H12  8IJ 72  
8IJ H14  H14 H 0 1 N N N 132.983 107.597 106.591 -2.033  -2.317 2.920  H14  8IJ 73  
8IJ H18  H15 H 0 1 N N N 131.005 106.790 100.324 2.111   -2.875 -4.250 H18  8IJ 74  
8IJ H19B H16 H 0 0 N N N 128.040 107.306 100.542 0.372   -1.089 -4.562 H19B 8IJ 75  
8IJ H19A H17 H 0 0 N N N 128.833 105.826 101.180 -0.313  -2.732 -4.567 H19A 8IJ 76  
8IJ H23B H18 H 0 0 N N N 129.231 104.346 97.228  -3.069  -1.593 -1.431 H23B 8IJ 77  
8IJ H23A H19 H 0 0 N N N 127.636 105.130 96.967  -2.385  0.050  -1.426 H23A 8IJ 78  
8IJ H25A H20 H 0 0 N N N 127.698 103.440 95.330  -5.328  -0.653 -0.925 H25A 8IJ 79  
8IJ H25B H21 H 0 0 N N N 126.809 101.938 95.756  -4.643  0.990  -0.920 H25B 8IJ 80  
8IJ H27B H22 H 0 0 N N N 130.630 103.007 95.796  -7.587  0.287  -0.418 H27B 8IJ 81  
8IJ H27A H23 H 0 0 N N N 130.046 102.359 97.367  -6.902  1.930  -0.413 H27A 8IJ 82  
8IJ H29A H24 H 0 0 N N N 132.760 101.082 97.676  -9.846  1.227  0.089  H29A 8IJ 83  
8IJ H29B H25 H 0 0 N N N 132.724 102.467 96.533  -9.161  2.870  0.094  H29B 8IJ 84  
8IJ H37B H26 H 0 0 N N N 133.293 97.651  87.924  -18.197 6.628  2.121  H37B 8IJ 85  
8IJ H37A H27 H 0 0 N N N 134.402 96.686  88.956  -18.881 4.985  2.116  H37A 8IJ 86  
8IJ H38B H28 H 0 0 N N N 136.165 98.231  88.683  -19.725 7.271  0.277  H38B 8IJ 87  
8IJ H38A H29 H 0 0 N N N 135.071 99.473  87.984  -20.410 5.628  0.272  H38A 8IJ 88  
8IJ H39A H30 H 0 0 N N N 136.481 98.444  86.258  -21.837 7.183  1.574  H39A 8IJ 89  
8IJ H39C H31 H 0 0 N N N 135.839 96.823  86.689  -21.140 5.925  2.623  H39C 8IJ 90  
8IJ H39B H32 H 0 0 N N N 134.746 98.065  85.991  -20.455 7.568  2.628  H39B 8IJ 91  
8IJ H43A H33 H 0 0 N N N 131.660 110.274 97.604  4.128   0.494  -2.408 H43A 8IJ 92  
8IJ H43B H34 H 0 0 N N N 130.473 110.792 98.849  4.085   -0.490 -0.925 H43B 8IJ 93  
8IJ H11  H35 H 0 1 N N N 131.636 104.585 109.396 -4.583  -4.184 5.769  H11  8IJ 94  
8IJ H13  H36 H 0 1 N N N 129.955 107.519 108.273 -2.685  -3.724 6.133  H13  8IJ 95  
8IJ H1   H37 H 0 1 N N N 134.615 108.002 102.881 1.499   -3.917 1.082  H1   8IJ 96  
8IJ H7   H38 H 0 1 N N N 128.735 106.205 105.579 -4.860  -2.539 1.093  H7   8IJ 97  
8IJ H9   H39 H 0 1 N N N 129.405 103.164 106.929 -6.241  -5.041 2.930  H9   8IJ 98  
8IJ H30B H40 H 0 0 N N N 133.542 99.632  95.819  -10.689 3.512  -1.750 H30B 8IJ 99  
8IJ H30A H41 H 0 0 N N N 134.674 100.958 96.249  -11.374 1.869  -1.755 H30A 8IJ 100 
8IJ H31B H42 H 0 0 N N N 134.651 101.734 94.178  -12.105 2.166  0.596  H31B 8IJ 101 
8IJ H31A H43 H 0 0 N N N 132.857 101.828 94.180  -11.420 3.809  0.601  H31A 8IJ 102 
8IJ H32A H44 H 0 0 N N N 133.491 100.478 92.346  -12.948 4.452  -1.243 H32A 8IJ 103 
8IJ H32B H45 H 0 0 N N N 132.815 99.389  93.605  -13.633 2.809  -1.248 H32B 8IJ 104 
8IJ H33A H46 H 0 0 N N N 134.802 98.349  93.980  -14.363 3.106  1.103  H33A 8IJ 105 
8IJ H33B H47 H 0 0 N N N 135.775 99.801  93.565  -13.679 4.749  1.107  H33B 8IJ 106 
8IJ H34B H48 H 0 0 N N N 136.057 97.898  91.988  -15.207 5.391  -0.737 H34B 8IJ 107 
8IJ H34A H49 H 0 0 N N N 135.484 99.415  91.217  -15.892 3.748  -0.742 H34A 8IJ 108 
8IJ H35B H50 H 0 0 N N N 133.207 97.835  91.967  -16.622 4.046  1.609  H35B 8IJ 109 
8IJ H35A H51 H 0 0 N N N 134.373 96.792  91.084  -15.938 5.689  1.614  H35A 8IJ 110 
8IJ H36B H52 H 0 0 N N N 133.802 99.455  89.872  -18.151 4.688  -0.235 H36B 8IJ 111 
8IJ H36A H53 H 0 0 N N N 132.439 98.285  89.902  -17.466 6.331  -0.230 H36A 8IJ 112 
8IJ H44B H54 H 0 0 N N N 129.482 110.962 96.638  6.061   -1.765 -1.714 H44B 8IJ 113 
8IJ H44A H55 H 0 0 N N N 128.676 109.660 97.578  6.103   -0.781 -3.197 H44A 8IJ 114 
8IJ H45B H56 H 0 0 N N N 130.272 108.056 96.397  6.434   1.262  -1.832 H45B 8IJ 115 
8IJ H45A H57 H 0 0 N N N 130.637 109.424 95.292  6.392   0.279  -0.349 H45A 8IJ 116 
8IJ H46B H58 H 0 0 N N N 129.007 108.029 94.278  8.367   -0.996 -1.138 H46B 8IJ 117 
8IJ H46A H59 H 0 0 N N N 128.233 109.576 94.762  8.410   -0.012 -2.620 H46A 8IJ 118 
8IJ H47A H60 H 0 0 N N N 127.131 108.558 96.581  8.741   2.031  -1.255 H47A 8IJ 119 
8IJ H47B H61 H 0 0 N N N 128.090 107.049 96.406  8.698   1.048  0.228  H47B 8IJ 120 
8IJ H48B H62 H 0 0 N N N 126.395 108.003 94.124  10.673  -0.227 -0.561 H48B 8IJ 121 
8IJ H48A H63 H 0 0 N N N 125.616 107.222 95.542  10.716  0.757  -2.044 H48A 8IJ 122 
8IJ H49B H64 H 0 0 N N N 125.943 105.344 94.427  11.047  2.800  -0.679 H49B 8IJ 123 
8IJ H49A H65 H 0 0 N N N 127.634 105.487 95.017  11.004  1.816  0.804  H49A 8IJ 124 
8IJ H50A H66 H 0 0 N N N 128.246 106.589 92.913  12.980  0.542  0.015  H50A 8IJ 125 
8IJ H50B H67 H 0 0 N N N 126.564 106.357 92.326  13.022  1.526  -1.468 H50B 8IJ 126 
8IJ H51B H68 H 0 0 N N N 126.966 103.872 92.952  13.353  3.569  -0.102 H51B 8IJ 127 
8IJ H51A H69 H 0 0 N N N 128.703 104.327 92.901  13.311  2.585  1.380  H51A 8IJ 128 
8IJ H52B H70 H 0 0 N N N 126.753 104.825 90.645  15.286  1.311  0.592  H52B 8IJ 129 
8IJ H52A H71 H 0 0 N N N 127.768 103.351 90.795  15.329  2.295  -0.891 H52A 8IJ 130 
8IJ H53B H72 H 0 0 N N N 129.452 104.404 89.857  15.660  4.338  0.474  H53B 8IJ 131 
8IJ H53A H73 H 0 0 N N N 129.440 105.614 91.185  15.617  3.354  1.957  H53A 8IJ 132 
8IJ H54A H74 H 0 0 N N N 129.238 106.946 89.331  17.592  2.080  1.168  H54A 8IJ 133 
8IJ H54B H75 H 0 0 N N N 127.522 106.714 89.809  17.635  3.063  -0.315 H54B 8IJ 134 
8IJ H55B H76 H 0 0 N N N 127.582 106.508 87.486  17.966  5.107  1.050  H55B 8IJ 135 
8IJ H55A H77 H 0 0 N N N 127.443 104.837 88.130  17.923  4.123  2.533  H55A 8IJ 136 
8IJ H56B H78 H 0 0 N N N 129.978 104.734 87.915  19.899  2.848  1.744  H56B 8IJ 137 
8IJ H56A H79 H 0 0 N N N 129.830 106.223 86.922  19.941  3.832  0.262  H56A 8IJ 138 
8IJ H57B H80 H 0 0 N N N 129.018 105.117 85.150  20.272  5.876  1.627  H57B 8IJ 139 
8IJ H57A H81 H 0 0 N N N 128.023 104.013 86.159  20.229  4.892  3.110  H57A 8IJ 140 
8IJ H58A H82 H 0 0 N N N 129.768 102.826 84.932  22.205  3.617  2.321  H58A 8IJ 141 
8IJ H58B H83 H 0 0 N N N 129.987 102.709 86.711  22.247  4.601  0.838  H58B 8IJ 142 
8IJ H59C H84 H 0 0 N N N 132.099 103.093 85.568  22.578  6.644  2.203  H59C 8IJ 143 
8IJ H59B H85 H 0 0 N N N 131.437 104.597 84.842  22.536  5.661  3.686  H59B 8IJ 144 
8IJ H59A H86 H 0 0 N N N 131.657 104.480 86.621  23.862  5.452  2.517  H59A 8IJ 145 
8IJ H15  H87 H 0 1 N N N 133.982 105.820 107.708 -0.065  -2.976 4.103  H15  8IJ 146 
# 
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal 
8IJ C59 C58  SING N N 1   
8IJ C58 C57  SING N N 2   
8IJ C57 C56  SING N N 3   
8IJ C39 C38  SING N N 4   
8IJ C56 C55  SING N N 5   
8IJ C55 C54  SING N N 6   
8IJ C38 C37  SING N N 7   
8IJ C37 C36  SING N N 8   
8IJ C54 C53  SING N N 9   
8IJ C36 C35  SING N N 10  
8IJ C53 C52  SING N N 11  
8IJ C52 C51  SING N N 12  
8IJ C35 C34  SING N N 13  
8IJ C34 C33  SING N N 14  
8IJ C51 C50  SING N N 15  
8IJ C50 C49  SING N N 16  
8IJ C33 C32  SING N N 17  
8IJ C32 C31  SING N N 18  
8IJ C31 C30  SING N N 19  
8IJ C49 C48  SING N N 20  
8IJ C48 C47  SING N N 21  
8IJ C46 C47  SING N N 22  
8IJ C46 C45  SING N N 23  
8IJ C26 C25  SING N N 24  
8IJ C26 C27  SING N N 25  
8IJ C30 C29  SING N N 26  
8IJ C45 C44  SING N N 27  
8IJ C25 C24  SING N N 28  
8IJ C28 C27  SING N N 29  
8IJ C28 C29  SING N N 30  
8IJ C44 C43  SING N N 31  
8IJ C24 C23  SING N N 32  
8IJ C23 C21  SING N N 33  
8IJ C43 C41  SING N N 34  
8IJ O42 C41  DOUB N N 35  
8IJ C41 O40  SING N N 36  
8IJ C21 O20  SING N N 37  
8IJ C21 O22  DOUB N N 38  
8IJ O20 C19  SING N N 39  
8IJ O40 C18  SING N N 40  
8IJ C19 C18  SING N N 41  
8IJ C18 C17  SING N N 42  
8IJ C17 O16  SING N N 43  
8IJ O16 P2   SING N N 44  
8IJ O1  P2   DOUB N N 45  
8IJ P2  O3   SING N N 46  
8IJ P2  O4   SING N N 47  
8IJ O4  C5   SING N N 48  
8IJ C5  C6   SING N N 49  
8IJ C5  C14  SING N N 50  
8IJ C6  O7   SING N N 51  
8IJ C6  C8   SING N N 52  
8IJ O9  C8   SING N N 53  
8IJ C8  C10  SING N N 54  
8IJ C14 O15  SING N N 55  
8IJ C14 C12  SING N N 56  
8IJ O13 C12  SING N N 57  
8IJ C12 C10  SING N N 58  
8IJ C10 O11  SING N N 59  
8IJ C5  H5   SING N N 60  
8IJ C6  H6   SING N N 61  
8IJ C8  H8   SING N N 62  
8IJ C10 H10  SING N N 63  
8IJ C17 H17B SING N N 64  
8IJ C17 H17A SING N N 65  
8IJ C24 H24A SING N N 66  
8IJ C24 H24B SING N N 67  
8IJ C26 H26A SING N N 68  
8IJ C26 H26B SING N N 69  
8IJ C28 H28A SING N N 70  
8IJ C28 H28B SING N N 71  
8IJ C12 H12  SING N N 72  
8IJ C14 H14  SING N N 73  
8IJ C18 H18  SING N N 74  
8IJ C19 H19B SING N N 75  
8IJ C19 H19A SING N N 76  
8IJ C23 H23B SING N N 77  
8IJ C23 H23A SING N N 78  
8IJ C25 H25A SING N N 79  
8IJ C25 H25B SING N N 80  
8IJ C27 H27B SING N N 81  
8IJ C27 H27A SING N N 82  
8IJ C29 H29A SING N N 83  
8IJ C29 H29B SING N N 84  
8IJ C37 H37B SING N N 85  
8IJ C37 H37A SING N N 86  
8IJ C38 H38B SING N N 87  
8IJ C38 H38A SING N N 88  
8IJ C39 H39A SING N N 89  
8IJ C39 H39C SING N N 90  
8IJ C39 H39B SING N N 91  
8IJ C43 H43A SING N N 92  
8IJ C43 H43B SING N N 93  
8IJ O11 H11  SING N N 94  
8IJ O13 H13  SING N N 95  
8IJ O3  H1   SING N N 96  
8IJ O7  H7   SING N N 97  
8IJ O9  H9   SING N N 98  
8IJ C30 H30B SING N N 99  
8IJ C30 H30A SING N N 100 
8IJ C31 H31B SING N N 101 
8IJ C31 H31A SING N N 102 
8IJ C32 H32A SING N N 103 
8IJ C32 H32B SING N N 104 
8IJ C33 H33A SING N N 105 
8IJ C33 H33B SING N N 106 
8IJ C34 H34B SING N N 107 
8IJ C34 H34A SING N N 108 
8IJ C35 H35B SING N N 109 
8IJ C35 H35A SING N N 110 
8IJ C36 H36B SING N N 111 
8IJ C36 H36A SING N N 112 
8IJ C44 H44B SING N N 113 
8IJ C44 H44A SING N N 114 
8IJ C45 H45B SING N N 115 
8IJ C45 H45A SING N N 116 
8IJ C46 H46B SING N N 117 
8IJ C46 H46A SING N N 118 
8IJ C47 H47A SING N N 119 
8IJ C47 H47B SING N N 120 
8IJ C48 H48B SING N N 121 
8IJ C48 H48A SING N N 122 
8IJ C49 H49B SING N N 123 
8IJ C49 H49A SING N N 124 
8IJ C50 H50A SING N N 125 
8IJ C50 H50B SING N N 126 
8IJ C51 H51B SING N N 127 
8IJ C51 H51A SING N N 128 
8IJ C52 H52B SING N N 129 
8IJ C52 H52A SING N N 130 
8IJ C53 H53B SING N N 131 
8IJ C53 H53A SING N N 132 
8IJ C54 H54A SING N N 133 
8IJ C54 H54B SING N N 134 
8IJ C55 H55B SING N N 135 
8IJ C55 H55A SING N N 136 
8IJ C56 H56B SING N N 137 
8IJ C56 H56A SING N N 138 
8IJ C57 H57B SING N N 139 
8IJ C57 H57A SING N N 140 
8IJ C58 H58A SING N N 141 
8IJ C58 H58B SING N N 142 
8IJ C59 H59C SING N N 143 
8IJ C59 H59B SING N N 144 
8IJ C59 H59A SING N N 145 
8IJ O15 H15  SING N N 146 
# 
loop_
_pdbx_chem_comp_descriptor.comp_id 
_pdbx_chem_comp_descriptor.type 
_pdbx_chem_comp_descriptor.program 
_pdbx_chem_comp_descriptor.program_version 
_pdbx_chem_comp_descriptor.descriptor 
8IJ SMILES           ACDLabs              12.01 "OP(=O)(OC1C(O)C(O)C(O)C(O)C1O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC"                                                                                                                                                                                         
8IJ InChI            InChI                1.06  "InChI=1S/C45H87O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)55-35-37(36-56-59(53,54)58-45-43(51)41(49)40(48)42(50)44(45)52)57-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37,40-45,48-52H,3-36H2,1-2H3,(H,53,54)/t37-,40-,41-,42+,43-,44-,45-/m1/s1" 
8IJ InChIKey         InChI                1.06  FQZQXPXKJFOAGE-KQKURGKFSA-N                                                                                                                                                                                                                                                  
8IJ SMILES_CANONICAL CACTVS               3.385 "CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P](O)(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCCCC"                                                                                                                                                         
8IJ SMILES           CACTVS               3.385 "CCCCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)O[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1O)OC(=O)CCCCCCCCCCCCCCCCC"                                                                                                                                                                  
8IJ SMILES_CANONICAL "OpenEye OEToolkits" 2.0.7 "CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)O)O)O)OC(=O)CCCCCCCCCCCCCCCCC"                                                                                                                                                                    
8IJ SMILES           "OpenEye OEToolkits" 2.0.7 "CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OC1C(C(C(C(C1O)O)O)O)O)OC(=O)CCCCCCCCCCCCCCCCC"                                                                                                                                                                                         
# 
loop_
_pdbx_chem_comp_identifier.comp_id 
_pdbx_chem_comp_identifier.type 
_pdbx_chem_comp_identifier.program 
_pdbx_chem_comp_identifier.program_version 
_pdbx_chem_comp_identifier.identifier 
8IJ "SYSTEMATIC NAME" ACDLabs              12.01 "(2R)-3-{[(R)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctadecanoate"                    
8IJ "SYSTEMATIC NAME" "OpenEye OEToolkits" 2.0.7 "[(2~{R})-2-octadecanoyloxy-3-[oxidanyl-[(2~{R},3~{R},5~{S},6~{R})-2,3,4,5,6-pentakis(oxidanyl)cyclohexyl]oxy-phosphoryl]oxy-propyl] octadecanoate" 
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
8IJ "Create component" 2023-04-20 RCSB 
8IJ "Initial release"  2023-05-10 RCSB 
# 
