data_EIJ
#

_chem_comp.id                                   EIJ
_chem_comp.name                                 "(2S)-1-{[(S)-hydroxy{[(1s,2R,3R,4R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl (5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoate"
_chem_comp.type                                 non-polymer
_chem_comp.pdbx_type                            HETAIN
_chem_comp.formula                              "C47 H83 O13 P"
_chem_comp.mon_nstd_parent_comp_id              ?
_chem_comp.pdbx_synonyms                        ?
_chem_comp.pdbx_formal_charge                   0
_chem_comp.pdbx_initial_date                    2021-12-06
_chem_comp.pdbx_modified_date                   2021-12-24
_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                       887.128
_chem_comp.one_letter_code                      ?
_chem_comp.three_letter_code                    EIJ
_chem_comp.pdbx_model_coordinates_details       ?
_chem_comp.pdbx_model_coordinates_missing_flag  Y
_chem_comp.pdbx_ideal_coordinates_details       Corina
_chem_comp.pdbx_ideal_coordinates_missing_flag  N
_chem_comp.pdbx_model_coordinates_db_code       7SHE
_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
EIJ  C21  C1   C  0  1  N  N  N  169.415  176.338  128.626    0.250  -4.884  -0.651  C21  EIJ    1  
EIJ  C25  C2   C  0  1  N  N  N  171.967  178.199  130.425    3.143  -2.440  -0.593  C25  EIJ    2  
EIJ  C01  C3   C  0  1  N  N  N  174.254  169.048  144.918  -17.949   4.405  -0.801  C01  EIJ    3  
EIJ  C02  C4   C  0  1  N  N  N  174.739  170.072  143.903  -16.539   4.825  -1.218  C02  EIJ    4  
EIJ  C03  C5   C  0  1  N  N  N  173.593  170.890  143.333  -15.536   4.240  -0.256  C03  EIJ    5  
EIJ  C04  C6   C  0  1  N  N  N  174.081  172.175  142.665  -14.548   3.507  -0.706  C04  EIJ    6  
EIJ  C05  C7   C  0  1  N  N  N  172.944  173.048  142.116  -13.545   2.922   0.255  C05  EIJ    7  
EIJ  C06  C8   C  0  1  N  N  N  171.559  172.386  142.204  -13.474   1.430   0.060  C06  EIJ    8  
EIJ  C07  C9   C  0  1  N  N  N  170.557  173.011  141.220  -12.322   0.856  -0.187  C07  EIJ    9  
EIJ  C08  C10  C  0  1  N  N  N  169.095  172.851  141.701  -12.250  -0.637  -0.382  C08  EIJ   10  
EIJ  C09  C11  C  0  1  N  N  N  168.128  172.395  140.585  -11.595  -0.939  -1.705  C09  EIJ   11  
EIJ  C10  C12  C  0  1  N  N  N  168.819  172.227  139.204  -10.545  -1.722  -1.753  C10  EIJ   12  
EIJ  C11  C13  C  0  1  N  N  N  167.839  172.487  138.031   -9.890  -2.024  -3.076  C11  EIJ   13  
EIJ  C12  C14  C  0  1  N  N  N  168.385  171.953  136.679   -8.427  -1.669  -3.005  C12  EIJ   14  
EIJ  C13  C15  C  0  1  N  N  N  167.817  172.752  135.474   -7.521  -2.568  -3.298  C13  EIJ   15  
EIJ  C14  C16  C  0  1  N  N  N  168.368  172.245  134.116   -6.058  -2.213  -3.227  C14  EIJ   16  
EIJ  C15  C17  C  0  1  N  N  N  168.409  173.380  133.050   -5.337  -3.202  -2.308  C15  EIJ   17  
EIJ  C16  C18  C  0  1  N  N  N  169.215  172.979  131.787   -3.852  -2.842  -2.236  C16  EIJ   18  
EIJ  C17  C19  C  0  1  N  N  N  168.476  173.410  130.472   -3.142  -3.816  -1.331  C17  EIJ   19  
EIJ  C20  C20  C  0  1  N  N  S  168.456  175.156  128.847   -1.206  -4.667  -0.233  C20  EIJ   20  
EIJ  C23  C21  C  0  1  N  N  N  171.467  177.220  129.352    2.302  -3.677  -0.772  C23  EIJ   21  
EIJ  C26  C22  C  0  1  N  N  N  173.485  178.396  130.371    4.580  -2.732  -1.029  C26  EIJ   22  
EIJ  C27  C23  C  0  1  N  N  N  174.195  177.672  131.507    5.434  -1.475  -0.847  C27  EIJ   23  
EIJ  C28  C24  C  0  1  N  N  N  174.428  178.579  132.711    6.871  -1.768  -1.283  C28  EIJ   24  
EIJ  C29  C25  C  0  1  N  N  N  174.341  177.808  134.024    7.725  -0.511  -1.101  C29  EIJ   25  
EIJ  C30  C26  C  0  1  N  N  N  175.552  178.036  134.916    9.162  -0.803  -1.537  C30  EIJ   26  
EIJ  C31  C27  C  0  1  N  N  N  175.207  177.856  136.386   10.015   0.453  -1.355  C31  EIJ   27  
EIJ  C32  C28  C  0  1  N  N  N  176.000  178.800  137.278   11.453   0.161  -1.791  C32  EIJ   28  
EIJ  C33  C29  C  0  1  N  N  N  175.256  179.116  138.572   12.306   1.418  -1.609  C33  EIJ   29  
EIJ  C34  C30  C  0  1  N  N  N  175.146  180.602  138.805   13.743   1.125  -2.045  C34  EIJ   30  
EIJ  C35  C31  C  0  1  N  N  N  176.262  181.110  139.689   14.597   2.382  -1.863  C35  EIJ   31  
EIJ  C36  C32  C  0  1  N  N  N  175.963  182.477  140.268   16.034   2.090  -2.299  C36  EIJ   32  
EIJ  C37  C33  C  0  1  N  N  N  177.213  183.334  140.359   16.888   3.346  -2.117  C37  EIJ   33  
EIJ  C38  C34  C  0  1  N  N  N  177.023  184.548  141.259   18.325   3.054  -2.553  C38  EIJ   34  
EIJ  C39  C35  C  0  1  N  N  N  176.128  184.257  142.470   19.179   4.310  -2.371  C39  EIJ   35  
EIJ  C40  C36  C  0  1  N  N  N  167.817  174.663  127.535   -1.252  -4.151   1.206  C40  EIJ   36  
EIJ  C46  C37  C  0  1  N  N  N  170.615  175.716  124.587    1.263  -0.145   3.550  C46  EIJ   37  
EIJ  C47  C38  C  0  1  N  N  S  171.702  175.308  125.584    2.779  -0.290   3.697  C47  EIJ   38  
EIJ  C49  C39  C  0  1  N  N  S  172.875  174.486  125.030    3.269   0.604   4.838  C49  EIJ   39  
EIJ  C51  C40  C  0  1  N  N  N  172.886  174.115  123.531    2.923   2.062   4.527  C51  EIJ   40  
EIJ  C53  C41  C  0  1  N  N  R  171.745  174.654  122.670    1.407   2.207   4.380  C53  EIJ   41  
EIJ  C55  C42  C  0  1  N  N  R  171.183  175.962  123.202    0.918   1.312   3.239  C55  EIJ   42  
EIJ  O18  O1   O  0  1  N  N  N  167.320  173.182  130.354   -3.761  -4.707  -0.798  O18  EIJ   43  
EIJ  O19  O2   O  0  1  N  N  N  169.184  174.068  129.418   -1.823  -3.694  -1.116  O19  EIJ   44  
EIJ  O22  O3   O  0  1  N  N  N  170.396  176.344  129.631    0.999  -3.655  -0.452  O22  EIJ   45  
EIJ  O24  O4   O  0  1  N  N  N  171.982  177.201  128.287    2.801  -4.689  -1.205  O24  EIJ   46  
EIJ  O41  O5   O  0  1  N  N  N  168.127  175.576  126.520   -0.447  -2.976   1.317  O41  EIJ   47  
EIJ  O43  O6   O  0  1  N  N  N  167.559  176.120  124.058    0.218  -3.084   3.750  O43  EIJ   48  
EIJ  O44  O7   O  0  1  N  N  N  167.278  173.801  124.851   -1.679  -1.536   3.139  O44  EIJ   49  
EIJ  O45  O8   O  0  1  N  N  N  169.662  174.703  124.499    0.806  -0.981   2.485  O45  EIJ   50  
EIJ  O48  O9   O  0  1  N  N  N  171.101  174.553  126.592    3.416   0.101   2.479  O48  EIJ   51  
EIJ  O50  O10  O  0  1  N  N  N  172.965  173.297  125.780    4.685   0.469   4.975  O50  EIJ   52  
EIJ  O52  O11  O  0  1  N  N  N  174.103  174.545  122.965    3.380   2.898   5.593  O52  EIJ   53  
EIJ  O54  O12  O  0  1  N  N  N  170.708  173.695  122.646    1.085   3.568   4.090  O54  EIJ   54  
EIJ  O56  O13  O  0  1  N  N  N  170.157  176.401  122.358    1.554   1.703   2.021  O56  EIJ   55  
EIJ  P42  P1   P  0  1  N  N  N  168.125  175.043  124.958   -0.265  -2.164   2.696  P42  EIJ   56  
EIJ  H1   H1   H  0  1  N  N  N  169.899  176.238  127.643    0.688  -5.678  -0.046  H1   EIJ   57  
EIJ  H2   H2   H  0  1  N  N  N  168.849  177.280  128.662    0.288  -5.166  -1.703  H2   EIJ   58  
EIJ  H3   H3   H  0  1  N  N  N  171.478  179.172  130.271    2.736  -1.632  -1.201  H3   EIJ   59  
EIJ  H4   H4   H  0  1  N  N  N  171.696  177.806  131.416    3.135  -2.144   0.456  H4   EIJ   60  
EIJ  H5   H5   H  0  1  N  N  N  175.100  168.475  145.324  -18.024   3.317  -0.816  H5   EIJ   61  
EIJ  H6   H6   H  0  1  N  N  N  173.718  169.543  145.741  -18.155   4.769   0.205  H6   EIJ   62  
EIJ  H8   H8   H  0  1  N  N  N  175.244  169.545  143.080  -16.333   4.460  -2.224  H8   EIJ   63  
EIJ  H9   H9   H  0  1  N  N  N  175.451  170.751  144.395  -16.464   5.912  -1.203  H9   EIJ   64  
EIJ  H10  H10  H  0  1  N  N  N  172.555  170.598  143.393  -15.632   4.426   0.803  H10  EIJ   65  
EIJ  H12  H12  H  0  1  N  N  N  175.124  172.443  142.587  -14.452   3.321  -1.766  H12  EIJ   66  
EIJ  H14  H14  H  0  1  N  N  N  173.156  173.271  141.060  -12.565   3.361   0.069  H14  EIJ   67  
EIJ  H15  H15  H  0  1  N  N  N  172.918  173.986  142.690  -13.853   3.140   1.278  H15  EIJ   68  
EIJ  H16  H16  H  0  1  N  N  N  171.318  171.577  142.878  -14.371   0.833   0.122  H16  EIJ   69  
EIJ  H18  H18  H  0  1  N  N  N  170.840  173.504  140.301  -11.424   1.453  -0.249  H18  EIJ   70  
EIJ  H20  H20  H  0  1  N  N  N  168.748  173.820  142.089  -11.664  -1.081   0.423  H20  EIJ   71  
EIJ  H21  H21  H  0  1  N  N  N  169.073  172.104  142.508  -13.257  -1.053  -0.372  H21  EIJ   72  
EIJ  H22  H22  H  0  1  N  N  N  167.076  172.211  140.749  -11.990  -0.510  -2.614  H22  EIJ   73  
EIJ  H24  H24  H  0  1  N  N  N  169.858  171.961  139.076  -10.150  -2.151  -0.844  H24  EIJ   74  
EIJ  H26  H26  H  0  1  N  N  N  167.673  173.571  137.942   -9.996  -3.086  -3.300  H26  EIJ   75  
EIJ  H27  H27  H  0  1  N  N  N  166.884  171.986  138.250  -10.369  -1.438  -3.861  H27  EIJ   76  
EIJ  H28  H28  H  0  1  N  N  N  169.075  171.127  136.588   -8.127  -0.674  -2.712  H28  EIJ   77  
EIJ  H30  H30  H  0  1  N  N  N  167.117  173.569  135.571   -7.821  -3.563  -3.591  H30  EIJ   78  
EIJ  H32  H32  H  0  1  N  N  N  167.721  171.435  133.749   -5.623  -2.262  -4.225  H32  EIJ   79  
EIJ  H33  H33  H  0  1  N  N  N  169.388  171.860  134.266   -5.947  -1.204  -2.832  H33  EIJ   80  
EIJ  H34  H34  H  0  1  N  N  N  168.876  174.269  133.499   -5.772  -3.153  -1.310  H34  EIJ   81  
EIJ  H35  H35  H  0  1  N  N  N  167.378  173.619  132.750   -5.447  -4.212  -2.703  H35  EIJ   82  
EIJ  H36  H36  H  0  1  N  N  N  169.349  171.887  131.780   -3.417  -2.891  -3.234  H36  EIJ   83  
EIJ  H37  H37  H  0  1  N  N  N  170.199  173.469  131.821   -3.742  -1.832  -1.840  H37  EIJ   84  
EIJ  H38  H38  H  0  1  N  N  N  167.655  175.476  129.530   -1.747  -5.611  -0.298  H38  EIJ   85  
EIJ  H39  H39  H  0  1  N  N  N  173.860  178.007  129.413    4.987  -3.539  -0.421  H39  EIJ   86  
EIJ  H40  H40  H  0  1  N  N  N  173.706  179.471  130.442    4.588  -3.027  -2.078  H40  EIJ   87  
EIJ  H41  H41  H  0  1  N  N  N  173.579  176.817  131.822    5.026  -0.668  -1.455  H41  EIJ   88  
EIJ  H42  H42  H  0  1  N  N  N  175.168  177.309  131.143    5.426  -1.180   0.202  H42  EIJ   89  
EIJ  H43  H43  H  0  1  N  N  N  175.427  179.031  132.629    7.278  -2.575  -0.675  H43  EIJ   90  
EIJ  H44  H44  H  0  1  N  N  N  173.666  179.372  132.712    6.879  -2.063  -2.332  H44  EIJ   91  
EIJ  H45  H45  H  0  1  N  N  N  173.439  178.132  134.564    7.317   0.296  -1.709  H45  EIJ   92  
EIJ  H46  H46  H  0  1  N  N  N  174.267  176.734  133.798    7.716  -0.215  -0.052  H46  EIJ   93  
EIJ  H47  H47  H  0  1  N  N  N  176.337  177.316  134.643    9.569  -1.611  -0.929  H47  EIJ   94  
EIJ  H48  H48  H  0  1  N  N  N  175.923  179.060  134.759    9.170  -1.099  -2.586  H48  EIJ   95  
EIJ  H49  H49  H  0  1  N  N  N  174.134  178.053  136.526    9.608   1.261  -1.963  H49  EIJ   96  
EIJ  H50  H50  H  0  1  N  N  N  175.430  176.819  136.679   10.007   0.749  -0.306  H50  EIJ   97  
EIJ  H51  H51  H  0  1  N  N  N  176.963  178.330  137.527   11.860  -0.647  -1.183  H51  EIJ   98  
EIJ  H52  H52  H  0  1  N  N  N  176.180  179.738  136.733   11.460  -0.135  -2.840  H52  EIJ   99  
EIJ  H53  H53  H  0  1  N  N  N  174.244  178.689  138.515   11.899   2.225  -2.217  H53  EIJ  100  
EIJ  H54  H54  H  0  1  N  N  N  175.798  178.662  139.415   12.298   1.713  -0.560  H54  EIJ  101  
EIJ  H55  H55  H  0  1  N  N  N  175.194  181.120  137.836   14.151   0.318  -1.437  H55  EIJ  102  
EIJ  H56  H56  H  0  1  N  N  N  174.182  180.817  139.288   13.751   0.830  -3.094  H56  EIJ  103  
EIJ  H57  H57  H  0  1  N  N  N  176.408  180.400  140.516   14.190   3.189  -2.471  H57  EIJ  104  
EIJ  H58  H58  H  0  1  N  N  N  177.184  181.173  139.093   14.589   2.677  -0.814  H58  EIJ  105  
EIJ  H59  H59  H  0  1  N  N  N  175.229  182.984  139.624   16.441   1.282  -1.691  H59  EIJ  106  
EIJ  H60  H60  H  0  1  N  N  N  175.542  182.353  141.277   16.042   1.794  -3.349  H60  EIJ  107  
EIJ  H61  H61  H  0  1  N  N  N  178.033  182.721  140.762   16.481   4.154  -2.725  H61  EIJ  108  
EIJ  H62  H62  H  0  1  N  N  N  177.477  183.681  139.349   16.880   3.642  -1.068  H62  EIJ  109  
EIJ  H63  H63  H  0  1  N  N  N  178.009  184.874  141.621   18.732   2.246  -1.945  H63  EIJ  110  
EIJ  H64  H64  H  0  1  N  N  N  176.564  185.355  140.669   18.333   2.758  -3.602  H64  EIJ  111  
EIJ  H65  H65  H  0  1  N  N  N  176.670  183.778  143.299   18.771   5.118  -2.979  H65  EIJ  112  
EIJ  H66  H66  H  0  1  N  N  N  175.605  185.150  142.841   19.171   4.606  -1.322  H66  EIJ  113  
EIJ  H68  H68  H  0  1  N  N  N  166.726  174.598  127.655   -2.281  -3.913   1.474  H68  EIJ  114  
EIJ  H69  H69  H  0  1  N  N  N  168.217  173.671  127.277   -0.870  -4.918   1.880  H69  EIJ  115  
EIJ  H70  H70  H  0  1  N  N  N  170.149  176.646  124.944    0.778  -0.444   4.479  H70  EIJ  116  
EIJ  H71  H71  H  0  1  N  N  N  172.118  176.229  126.017    3.025  -1.329   3.919  H71  EIJ  117  
EIJ  H72  H72  H  0  1  N  N  N  173.786  175.076  125.212    2.783   0.306   5.767  H72  EIJ  118  
EIJ  H73  H73  H  0  1  N  N  N  172.842  173.017  123.474    3.409   2.360   3.598  H73  EIJ  119  
EIJ  H74  H74  H  0  1  N  N  N  172.126  174.824  121.652    0.922   1.909   5.309  H74  EIJ  120  
EIJ  H75  H75  H  0  1  N  N  N  171.990  176.707  123.265   -0.162   1.415   3.134  H75  EIJ  121  
EIJ  H76  H76  H  0  1  N  N  N  166.566  173.954  124.241   -2.056  -0.922   2.494  H76  EIJ  122  
EIJ  H77  H77  H  0  1  N  N  N  171.758  174.288  127.224    4.380   0.034   2.500  H77  EIJ  123  
EIJ  H78  H78  H  0  1  N  N  N  172.960  173.506  126.707    5.065   1.009   5.682  H78  EIJ  124  
EIJ  H79  H79  H  0  1  N  N  N  174.828  174.220  123.486    3.195   3.838   5.463  H79  EIJ  125  
EIJ  H80  H80  H  0  1  N  N  N  171.046  172.871  122.315    1.366   4.193   4.772  H80  EIJ  126  
EIJ  H81  H81  H  0  1  N  N  N  169.803  177.219  122.688    1.379   2.618   1.762  H81  EIJ  127  
EIJ  C1   C43  C  0  1  N  N  N        ?        ?        ?   20.616   4.018  -2.807  C1   EIJ  128  
EIJ  C2   C44  C  0  1  N  N  N        ?        ?        ?   21.470   5.275  -2.625  C2   EIJ  129  
EIJ  C3   C45  C  0  1  N  N  N        ?        ?        ?  -18.967   4.998  -1.777  C3   EIJ  130  
EIJ  C4   C46  C  0  1  N  N  N        ?        ?        ?  -20.378   4.578  -1.361  C4   EIJ  131  
EIJ  C5   C47  C  0  1  N  N  N        ?        ?        ?  -21.396   5.171  -2.337  C5   EIJ  132  
EIJ  H7   H7   H  0  1  N  N  N        ?        ?        ?   21.023   3.211  -2.199  H7   EIJ  133  
EIJ  H11  H11  H  0  1  N  N  N        ?        ?        ?   20.624   3.723  -3.856  H11  EIJ  134  
EIJ  H13  H13  H  0  1  N  N  N        ?        ?        ?   21.062   6.082  -3.233  H13  EIJ  135  
EIJ  H17  H17  H  0  1  N  N  N        ?        ?        ?   21.462   5.570  -1.576  H17  EIJ  136  
EIJ  H19  H19  H  0  1  N  N  N        ?        ?        ?   22.493   5.067  -2.936  H19  EIJ  137  
EIJ  H23  H23  H  0  1  N  N  N        ?        ?        ?  -18.893   6.086  -1.763  H23  EIJ  138  
EIJ  H25  H25  H  0  1  N  N  N        ?        ?        ?  -18.762   4.633  -2.783  H25  EIJ  139  
EIJ  H29  H29  H  0  1  N  N  N        ?        ?        ?  -20.452   3.490  -1.375  H29  EIJ  140  
EIJ  H31  H31  H  0  1  N  N  N        ?        ?        ?  -20.584   4.942  -0.355  H31  EIJ  141  
EIJ  H67  H67  H  0  1  N  N  N        ?        ?        ?  -21.190   4.807  -3.343  H67  EIJ  142  
EIJ  H82  H82  H  0  1  N  N  N        ?        ?        ?  -22.402   4.872  -2.040  H82  EIJ  143  
EIJ  H83  H83  H  0  1  N  N  N        ?        ?        ?  -21.322   6.259  -2.322  H83  EIJ  144  
#   #
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
EIJ  O56  C55  SING  N  N    1  
EIJ  O54  C53  SING  N  N    2  
EIJ  C53  C55  SING  N  N    3  
EIJ  C53  C51  SING  N  N    4  
EIJ  O52  C51  SING  N  N    5  
EIJ  C55  C46  SING  N  N    6  
EIJ  C51  C49  SING  N  N    7  
EIJ  O43  P42  DOUB  N  N    8  
EIJ  O45  C46  SING  N  N    9  
EIJ  O45  P42  SING  N  N   10  
EIJ  C46  C47  SING  N  N   11  
EIJ  O44  P42  SING  N  N   12  
EIJ  P42  O41  SING  N  N   13  
EIJ  C49  C47  SING  N  N   14  
EIJ  C49  O50  SING  N  N   15  
EIJ  C47  O48  SING  N  N   16  
EIJ  O41  C40  SING  N  N   17  
EIJ  C40  C20  SING  N  N   18  
EIJ  O24  C23  DOUB  N  N   19  
EIJ  C21  C20  SING  N  N   20  
EIJ  C21  O22  SING  N  N   21  
EIJ  C20  O19  SING  N  N   22  
EIJ  C23  O22  SING  N  N   23  
EIJ  C23  C25  SING  N  N   24  
EIJ  O19  C17  SING  N  N   25  
EIJ  O18  C17  DOUB  N  N   26  
EIJ  C26  C25  SING  N  N   27  
EIJ  C26  C27  SING  N  N   28  
EIJ  C17  C16  SING  N  N   29  
EIJ  C27  C28  SING  N  N   30  
EIJ  C16  C15  SING  N  N   31  
EIJ  C28  C29  SING  N  N   32  
EIJ  C15  C14  SING  N  N   33  
EIJ  C29  C30  SING  N  N   34  
EIJ  C14  C13  SING  N  N   35  
EIJ  C30  C31  SING  N  N   36  
EIJ  C13  C12  DOUB  N  E   37  
EIJ  C31  C32  SING  N  N   38  
EIJ  C12  C11  SING  N  N   39  
EIJ  C32  C33  SING  N  N   40  
EIJ  C11  C10  SING  N  N   41  
EIJ  C33  C34  SING  N  N   42  
EIJ  C34  C35  SING  N  N   43  
EIJ  C10  C09  DOUB  N  E   44  
EIJ  C35  C36  SING  N  N   45  
EIJ  C36  C37  SING  N  N   46  
EIJ  C37  C38  SING  N  N   47  
EIJ  C09  C08  SING  N  N   48  
EIJ  C07  C08  SING  N  N   49  
EIJ  C07  C06  DOUB  N  E   50  
EIJ  C38  C39  SING  N  N   51  
EIJ  C05  C06  SING  N  N   52  
EIJ  C05  C04  SING  N  N   53  
EIJ  C04  C03  DOUB  N  E   54  
EIJ  C03  C02  SING  N  N   55  
EIJ  C02  C01  SING  N  N   56  
EIJ  C21  H1   SING  N  N   57  
EIJ  C21  H2   SING  N  N   58  
EIJ  C25  H3   SING  N  N   59  
EIJ  C25  H4   SING  N  N   60  
EIJ  C01  H5   SING  N  N   61  
EIJ  C01  H6   SING  N  N   62  
EIJ  C02  H8   SING  N  N   63  
EIJ  C02  H9   SING  N  N   64  
EIJ  C03  H10  SING  N  N   65  
EIJ  C04  H12  SING  N  N   66  
EIJ  C05  H14  SING  N  N   67  
EIJ  C05  H15  SING  N  N   68  
EIJ  C06  H16  SING  N  N   69  
EIJ  C07  H18  SING  N  N   70  
EIJ  C08  H20  SING  N  N   71  
EIJ  C08  H21  SING  N  N   72  
EIJ  C09  H22  SING  N  N   73  
EIJ  C10  H24  SING  N  N   74  
EIJ  C11  H26  SING  N  N   75  
EIJ  C11  H27  SING  N  N   76  
EIJ  C12  H28  SING  N  N   77  
EIJ  C13  H30  SING  N  N   78  
EIJ  C14  H32  SING  N  N   79  
EIJ  C14  H33  SING  N  N   80  
EIJ  C15  H34  SING  N  N   81  
EIJ  C15  H35  SING  N  N   82  
EIJ  C16  H36  SING  N  N   83  
EIJ  C16  H37  SING  N  N   84  
EIJ  C20  H38  SING  N  N   85  
EIJ  C26  H39  SING  N  N   86  
EIJ  C26  H40  SING  N  N   87  
EIJ  C27  H41  SING  N  N   88  
EIJ  C27  H42  SING  N  N   89  
EIJ  C28  H43  SING  N  N   90  
EIJ  C28  H44  SING  N  N   91  
EIJ  C29  H45  SING  N  N   92  
EIJ  C29  H46  SING  N  N   93  
EIJ  C30  H47  SING  N  N   94  
EIJ  C30  H48  SING  N  N   95  
EIJ  C31  H49  SING  N  N   96  
EIJ  C31  H50  SING  N  N   97  
EIJ  C32  H51  SING  N  N   98  
EIJ  C32  H52  SING  N  N   99  
EIJ  C33  H53  SING  N  N  100  
EIJ  C33  H54  SING  N  N  101  
EIJ  C34  H55  SING  N  N  102  
EIJ  C34  H56  SING  N  N  103  
EIJ  C35  H57  SING  N  N  104  
EIJ  C35  H58  SING  N  N  105  
EIJ  C36  H59  SING  N  N  106  
EIJ  C36  H60  SING  N  N  107  
EIJ  C37  H61  SING  N  N  108  
EIJ  C37  H62  SING  N  N  109  
EIJ  C38  H63  SING  N  N  110  
EIJ  C38  H64  SING  N  N  111  
EIJ  C39  H65  SING  N  N  112  
EIJ  C39  H66  SING  N  N  113  
EIJ  C40  H68  SING  N  N  114  
EIJ  C40  H69  SING  N  N  115  
EIJ  C46  H70  SING  N  N  116  
EIJ  C47  H71  SING  N  N  117  
EIJ  C49  H72  SING  N  N  118  
EIJ  C51  H73  SING  N  N  119  
EIJ  C53  H74  SING  N  N  120  
EIJ  C55  H75  SING  N  N  121  
EIJ  O44  H76  SING  N  N  122  
EIJ  O48  H77  SING  N  N  123  
EIJ  O50  H78  SING  N  N  124  
EIJ  O52  H79  SING  N  N  125  
EIJ  O54  H80  SING  N  N  126  
EIJ  O56  H81  SING  N  N  127  
EIJ  C39  C1   SING  N  N  128  
EIJ  C1   C2   SING  N  N  129  
EIJ  C01  C3   SING  N  N  130  
EIJ  C3   C4   SING  N  N  131  
EIJ  C4   C5   SING  N  N  132  
EIJ  C1   H7   SING  N  N  133  
EIJ  C1   H11  SING  N  N  134  
EIJ  C2   H13  SING  N  N  135  
EIJ  C2   H17  SING  N  N  136  
EIJ  C2   H19  SING  N  N  137  
EIJ  C3   H23  SING  N  N  138  
EIJ  C3   H25  SING  N  N  139  
EIJ  C4   H29  SING  N  N  140  
EIJ  C4   H31  SING  N  N  141  
EIJ  C5   H67  SING  N  N  142  
EIJ  C5   H82  SING  N  N  143  
EIJ  C5   H83  SING  N  N  144  
#   #
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
EIJ  SMILES            ACDLabs               12.01  "OP(=O)(OC1C(O)C(O)C(O)C(O)C1O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C\C\C=C\C\C=C\C\C=C\CCCCC"  
EIJ  InChI             InChI                 1.03   "InChI=1S/C47H83O13P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)59-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)37-57-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,17,19,22,24,28,30,39,42-47,50-54H,3-10,12,14-16,18,20-21,23,25-27,29,31-38H2,1-2H3,(H,55,56)/b13-11+,19-17+,24-22+,30-28+/t39-,42-,43-,44+,45-,46+,47-/m0/s1"  
EIJ  InChIKey          InChI                 1.03   KRTOMQDUKGRFDJ-ROVRCULJSA-N  
EIJ  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)CCC\C=C\C\C=C\C\C=C\C\C=C\CCCCC"  
EIJ  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)CCCC=CCC=CCC=CCC=CCCCCC"  
EIJ  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)CCC/C=C/C/C=C/C/C=C/C/C=C/CCCCC"  
EIJ  SMILES            "OpenEye OEToolkits"  2.0.7  "CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OC1C(C(C(C(C1O)O)O)O)O)OC(=O)CCCC=CCC=CCC=CCC=CCCCCC"  
#   #
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
EIJ  "SYSTEMATIC NAME"  ACDLabs               12.01  "(2S)-1-{[(S)-hydroxy{[(1s,2R,3R,4R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl (5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoate"  
EIJ  "SYSTEMATIC NAME"  "OpenEye OEToolkits"  2.0.7  "[(2~{S})-1-octadecanoyloxy-3-[oxidanyl-[(2~{S},3~{S},5~{R},6~{R})-2,3,4,5,6-pentakis(oxidanyl)cyclohexyl]oxy-phosphoryl]oxy-propan-2-yl] (5~{E},8~{E},11~{E},14~{E})-icosa-5,8,11,14-tetraenoate"  
#   #
loop_
_pdbx_chem_comp_audit.comp_id
_pdbx_chem_comp_audit.action_type
_pdbx_chem_comp_audit.date
_pdbx_chem_comp_audit.processing_site
EIJ  "Create component"  2021-12-06  RCSB  
EIJ  "Initial release"   2021-12-29  RCSB  
##
