data_L9H
# 
_chem_comp.id                                    L9H 
_chem_comp.name                                  "[(2~{R})-1-octadecoxy-3-[oxidanyl-[(2~{R},3~{R},5~{S},6~{R})-2,3,4,5,6-pentakis(oxidanyl)cyclohexyl]oxy-phosphoryl]oxy-propan-2-yl] octadecanoate" 
_chem_comp.type                                  non-polymer 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C45 H89 O12 P" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2023-08-21 
_chem_comp.pdbx_modified_date                    2023-12-15 
_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                        853.155 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     L9H 
_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        8K9R 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  PDBC 
# 
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.pdbx_backbone_atom_flag 
_chem_comp_atom.pdbx_n_terminal_atom_flag 
_chem_comp_atom.pdbx_c_terminal_atom_flag 
_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 
L9H C5  C1  C 0 1 N N N N N N 129.351 131.661 116.020 4.344   -3.135 -3.934 C5  L9H 1   
L9H O6  O1  O 0 1 N N N N N N 128.832 132.533 115.036 5.128   -3.525 -5.063 O6  L9H 2   
L9H C2  C2  C 0 1 N N R N N N 128.246 131.289 116.976 4.571   -4.125 -2.789 C2  L9H 3   
L9H O1  O2  O 0 1 N N N N N N 127.269 130.579 116.249 5.954   -4.128 -2.430 O1  L9H 4   
L9H C3  C3  C 0 1 N N R N N N 128.769 130.412 118.088 3.731   -3.708 -1.580 C3  L9H 5   
L9H O4  O3  O 0 1 N N N N N N 129.298 129.224 117.525 4.118   -2.397 -1.161 O4  L9H 6   
L9H C7  C4  C 0 1 N N S N N N 130.470 132.363 116.746 2.863   -3.132 -4.318 C7  L9H 7   
L9H O8  O4  O 0 1 N N N N N N 131.529 132.568 115.834 2.651   -2.207 -5.387 O8  L9H 8   
L9H C9  C5  C 0 1 N N R N N N 130.990 131.516 117.882 2.023   -2.715 -3.109 C9  L9H 9   
L9H O10 O5  O 0 1 N N N N N N 131.912 132.424 118.493 0.640   -2.711 -3.468 O10 L9H 10  
L9H CA4 C6  C 0 1 N N N N N N 129.869 131.137 118.831 2.250   -3.704 -1.965 CA4 L9H 11  
L9H OA5 O6  O 0 1 N N N N N N 130.373 130.236 119.833 1.466   -3.315 -0.835 OA5 L9H 12  
L9H PA6 P1  P 0 1 N N N N N N 130.197 130.547 121.355 0.335   -4.259 -0.185 PA6 L9H 13  
L9H OA7 O7  O 0 1 N N N N N N 128.786 129.889 121.621 -0.251  -3.559 1.140  OA7 L9H 14  
L9H CA8 C7  C 0 1 N N N N N N 128.662 128.457 121.627 -1.197  -4.194 2.002  CA8 L9H 15  
L9H CA9 C8  C 0 1 N N R N N N 128.053 128.045 122.924 -1.541  -3.257 3.161  CA9 L9H 16  
L9H OB0 O8  O 0 1 N N N N N N 126.989 127.091 122.646 -2.220  -2.080 2.648  OB0 L9H 17  
L9H CB1 C9  C 0 1 N N N N N N 127.278 125.792 122.751 -3.558  -2.137 2.564  CB1 L9H 18  
L9H CB2 C10 C 0 1 N N N N N N 126.071 124.949 122.517 -4.331  -0.954 2.040  CB2 L9H 19  
L9H CB3 C11 C 0 1 N N N N N N 125.836 123.955 123.641 -5.826  -1.277 2.048  CB3 L9H 20  
L9H CB4 C12 C 0 1 N N N N N N 125.777 124.608 124.999 -6.611  -0.076 1.516  CB4 L9H 21  
L9H CB5 C13 C 0 1 N N N N N N 125.717 123.629 126.136 -8.106  -0.399 1.525  CB5 L9H 22  
L9H CB6 C14 C 0 1 N N N N N N 124.413 122.883 126.209 -8.891  0.802  0.992  CB6 L9H 23  
L9H CB7 C15 C 0 1 N N N N N N 124.023 122.495 127.612 -10.386 0.479  1.001  CB7 L9H 24  
L9H CB8 C16 C 0 1 N N N N N N 122.729 121.734 127.694 -11.170 1.680  0.469  CB8 L9H 25  
L9H CB9 C17 C 0 1 N N N N N N 122.726 120.668 128.762 -12.666 1.357  0.477  CB9 L9H 26  
L9H CC0 C18 C 0 1 N N N N N N 121.572 119.696 128.655 -13.450 2.558  -0.055 CC0 L9H 27  
L9H CC1 C19 C 0 1 N N N N N N 121.950 118.345 128.111 -14.946 2.234  -0.047 CC1 L9H 28  
L9H CC2 C20 C 0 1 N N N N N N 120.851 117.336 128.246 -15.730 3.436  -0.578 CC2 L9H 29  
L9H CC3 C21 C 0 1 N N N N N N 120.661 116.461 127.039 -17.225 3.112  -0.570 CC3 L9H 30  
L9H CC4 C22 C 0 1 N N N N N N 119.333 115.772 127.014 -18.010 4.313  -1.102 CC4 L9H 31  
L9H CC5 C23 C 0 1 N N N N N N 119.205 114.743 125.950 -19.505 3.990  -1.094 CC5 L9H 32  
L9H CC6 C24 C 0 1 N N N N N N 118.359 113.586 126.375 -20.290 5.191  -1.626 CC6 L9H 33  
L9H CC7 C25 C 0 1 N N N N N N 116.908 113.817 126.166 -21.785 4.868  -1.617 CC7 L9H 34  
L9H CC8 C26 C 0 1 N N N N N N 116.171 112.570 125.844 -22.569 6.069  -2.149 CC8 L9H 35  
L9H OC9 O9  O 0 1 N N N N N N 128.371 125.369 122.991 -4.144  -3.136 2.909  OC9 L9H 36  
L9H CD0 C27 C 0 1 N N N N N N 127.407 129.200 123.605 -0.255  -2.833 3.874  CD0 L9H 37  
L9H OD1 O10 O 0 1 N N N N N N 126.304 128.728 124.351 0.648   -2.260 2.926  OD1 L9H 38  
L9H CD2 C28 C 0 1 N N N N N N 126.545 128.663 125.742 1.887   -1.829 3.492  CD2 L9H 39  
L9H CD3 C29 C 0 1 N N N N N N 125.317 129.134 126.468 2.770   -1.236 2.392  CD3 L9H 40  
L9H CD4 C30 C 0 1 N N N N N N 124.266 128.065 126.606 4.097   -0.774 2.997  CD4 L9H 41  
L9H CD5 C31 C 0 1 N N N N N N 124.175 127.492 127.999 4.980   -0.181 1.898  CD5 L9H 42  
L9H CD6 C32 C 0 1 N N N N N N 122.805 127.633 128.625 6.307   0.281  2.503  CD6 L9H 43  
L9H CD7 C33 C 0 1 N N N N N N 122.608 128.931 129.374 7.190   0.875  1.404  CD7 L9H 44  
L9H CD8 C34 C 0 1 N N N N N N 121.661 128.805 130.535 8.518   1.336  2.009  CD8 L9H 45  
L9H CD9 C35 C 0 1 N N N N N N 122.185 127.916 131.630 9.401   1.930  0.910  CD9 L9H 46  
L9H CE0 C36 C 0 1 N N N N N N 122.423 128.646 132.935 10.728  2.391  1.515  CE0 L9H 47  
L9H CE1 C37 C 0 1 N N N N N N 123.880 128.777 133.306 11.611  2.985  0.415  CE1 L9H 48  
L9H CE2 C38 C 0 1 N N N N N N 124.226 128.125 134.622 12.938  3.447  1.021  CE2 L9H 49  
L9H CE3 C39 C 0 1 N N N N N N 123.020 127.757 135.456 13.821  4.040  -0.079 CE3 L9H 50  
L9H CE4 C40 C 0 1 N N N N N N 123.345 127.536 136.923 15.148  4.502  0.527  CE4 L9H 51  
L9H CE5 C41 C 0 1 N N N N N N 122.351 128.157 137.883 16.031  5.095  -0.573 CE5 L9H 52  
L9H CE6 C42 C 0 1 N N N N N N 121.131 127.296 138.145 17.358  5.557  0.033  CE6 L9H 53  
L9H CE7 C43 C 0 1 N N N N N N 121.415 125.808 138.262 18.241  6.150  -1.067 CE7 L9H 54  
L9H CE8 C44 C 0 1 N N N N N N 120.389 124.924 137.596 19.569  6.612  -0.462 CE8 L9H 55  
L9H CE9 C45 C 0 1 N N N N N N 119.353 124.504 138.541 20.452  7.205  -1.561 CE9 L9H 56  
L9H OF0 O11 O 0 1 N N N N N N 130.088 131.999 121.558 0.929   -5.567 0.169  OF0 L9H 57  
L9H OF1 O12 O 0 1 N N N N N N 131.213 129.786 122.096 -0.855  -4.479 -1.247 OF1 L9H 58  
L9H H1  H1  H 0 1 N N N N N N 129.744 130.746 115.552 4.639   -2.136 -3.614 H1  L9H 59  
L9H H2  H2  H 0 1 N N N N N N 128.125 132.101 114.571 6.080   -3.549 -4.891 H2  L9H 60  
L9H H3  H3  H 0 1 N N N N N N 127.818 132.205 117.409 4.276   -5.124 -3.109 H3  L9H 61  
L9H H4  H4  H 0 1 N N N N N N 126.559 130.332 116.830 6.547   -4.384 -3.150 H4  L9H 62  
L9H H5  H5  H 0 1 N N N N N N 127.950 130.180 118.785 3.893   -4.413 -0.765 H5  L9H 63  
L9H H6  H6  H 0 1 N N N N N N 129.630 128.665 118.218 5.046   -2.325 -0.901 H6  L9H 64  
L9H H7  H7  H 0 1 N N N N N N 130.105 133.322 117.142 2.568   -4.131 -4.638 H7  L9H 65  
L9H H8  H8  H 0 1 N N N N N N 132.245 133.010 116.274 3.153   -2.410 -6.188 H8  L9H 66  
L9H H9  H9  H 0 1 N N N N N N 131.493 130.616 117.498 2.318   -1.715 -2.789 H9  L9H 67  
L9H H10 H10 H 0 1 N N N N N N 132.320 132.005 119.242 0.422   -2.105 -4.190 H10 L9H 68  
L9H H11 H11 H 0 1 N N N N N N 129.461 132.045 119.298 1.956   -4.704 -2.284 H11 L9H 69  
L9H H12 H12 H 0 1 N N N N N N 128.018 128.136 120.795 -2.103  -4.425 1.441  H12 L9H 70  
L9H H13 H13 H 0 1 N N N N N N 129.656 127.997 121.520 -0.769  -5.116 2.396  H13 L9H 71  
L9H H14 H14 H 0 1 N N N N N N 128.817 127.597 123.577 -2.194  -3.774 3.866  H14 L9H 72  
L9H H15 H15 H 0 1 N N N N N N 125.192 125.605 122.435 -4.143  -0.087 2.674  H15 L9H 73  
L9H H16 H16 H 0 1 N N N N N N 126.204 124.395 121.576 -4.012  -0.734 1.021  H16 L9H 74  
L9H H17 H17 H 0 1 N N N N N N 124.882 123.438 123.459 -6.014  -2.143 1.414  H17 L9H 75  
L9H H18 H18 H 0 1 N N N N N N 126.657 123.223 123.639 -6.145  -1.496 3.067  H18 L9H 76  
L9H H19 H19 H 0 1 N N N N N N 126.675 125.231 125.124 -6.423  0.791  2.150  H19 L9H 77  
L9H H20 H20 H 0 1 N N N N N N 124.880 125.244 125.040 -6.292  0.144  0.497  H20 L9H 78  
L9H H21 H21 H 0 1 N N N N N N 126.531 122.899 126.012 -8.294  -1.265 0.891  H21 L9H 79  
L9H H22 H22 H 0 1 N N N N N N 125.858 124.179 127.078 -8.425  -0.618 2.543  H22 L9H 80  
L9H H23 H23 H 0 1 N N N N N N 123.622 123.523 125.791 -8.703  1.668  1.626  H23 L9H 81  
L9H H24 H24 H 0 1 N N N N N N 124.501 121.967 125.606 -8.572  1.021  -0.027 H24 L9H 82  
L9H H25 H25 H 0 1 N N N N N N 124.822 121.867 128.033 -10.574 -0.388 0.367  H25 L9H 83  
L9H H26 H26 H 0 1 N N N N N N 123.924 123.412 128.211 -10.705 0.259  2.020  H26 L9H 84  
L9H H27 H27 H 0 1 N N N N N N 121.919 122.446 127.910 -10.982 2.546  1.103  H27 L9H 85  
L9H H28 H28 H 0 1 N N N N N N 122.545 121.254 126.722 -10.852 1.899  -0.550 H28 L9H 86  
L9H H29 H29 H 0 1 N N N N N N 123.665 120.100 128.687 -12.854 0.490  -0.157 H29 L9H 87  
L9H H30 H30 H 0 1 N N N N N N 122.673 121.161 129.744 -12.984 1.137  1.496  H30 L9H 88  
L9H H31 H31 H 0 1 N N N N N N 120.812 120.135 127.991 -13.262 3.424  0.579  H31 L9H 89  
L9H H32 H32 H 0 1 N N N N N N 121.145 119.556 129.659 -13.132 2.777  -1.074 H32 L9H 90  
L9H H33 H33 H 0 1 N N N N N N 122.831 117.980 128.658 -15.134 1.368  -0.680 H33 L9H 91  
L9H H34 H34 H 0 1 N N N N N N 122.199 118.453 127.045 -15.264 2.015  0.973  H34 L9H 92  
L9H H35 H35 H 0 1 N N N N N N 119.910 117.875 128.432 -15.542 4.302  0.056  H35 L9H 93  
L9H H36 H36 H 0 1 N N N N N N 121.080 116.690 129.107 -15.411 3.655  -1.598 H36 L9H 94  
L9H H37 H37 H 0 1 N N N N N N 121.452 115.696 127.033 -17.413 2.246  -1.204 H37 L9H 95  
L9H H38 H38 H 0 1 N N N N N N 120.748 117.085 126.137 -17.544 2.893  0.449  H38 L9H 96  
L9H H39 H39 H 0 1 N N N N N N 118.553 116.531 126.857 -17.822 5.180  -0.468 H39 L9H 97  
L9H H40 H40 H 0 1 N N N N N N 119.178 115.284 127.988 -17.691 4.533  -2.121 H40 L9H 98  
L9H H41 H41 H 0 1 N N N N N N 120.209 114.372 125.695 -19.693 3.124  -1.728 H41 L9H 99  
L9H H42 H42 H 0 1 N N N N N N 118.749 115.207 125.063 -19.824 3.771  -0.075 H42 L9H 100 
L9H H43 H43 H 0 1 N N N N N N 118.660 112.701 125.795 -20.102 6.058  -0.992 H43 L9H 101 
L9H H44 H44 H 0 1 N N N N N N 118.533 113.400 127.445 -19.971 5.411  -2.645 H44 L9H 102 
L9H H45 H45 H 0 1 N N N N N N 116.781 114.526 125.335 -21.973 4.002  -2.251 H45 L9H 103 
L9H H46 H46 H 0 1 N N N N N N 116.484 114.249 127.085 -22.104 4.649  -0.598 H46 L9H 104 
L9H H47 H47 H 0 1 N N N N N N 115.105 112.800 125.700 -22.381 6.936  -1.515 H47 L9H 105 
L9H H48 H48 H 0 1 N N N N N N 116.579 112.131 124.922 -22.251 6.289  -3.168 H48 L9H 106 
L9H H49 H49 H 0 1 N N N N N N 116.283 111.854 126.672 -23.635 5.839  -2.144 H49 L9H 107 
L9H H50 H50 H 0 1 N N N N N N 128.130 129.684 124.279 -0.491  -2.097 4.642  H50 L9H 108 
L9H H51 H51 H 0 1 N N N N N N 127.062 129.927 122.854 0.208   -3.705 4.336  H51 L9H 109 
L9H H52 H52 H 0 1 N N N N N N 126.770 127.626 126.030 1.696   -1.072 4.252  H52 L9H 110 
L9H H53 H53 H 0 1 N N N N N N 127.398 129.308 126.000 2.395   -2.680 3.946  H53 L9H 111 
L9H H54 H54 H 0 1 N N N N N N 125.611 129.467 127.474 2.961   -1.993 1.632  H54 L9H 112 
L9H H55 H55 H 0 1 N N N N N N 124.885 129.980 125.913 2.262   -0.385 1.938  H55 L9H 113 
L9H H56 H56 H 0 1 N N N N N N 123.290 128.499 126.343 3.906   -0.017 3.758  H56 L9H 114 
L9H H57 H57 H 0 1 N N N N N N 124.505 127.249 125.908 4.605   -1.625 3.452  H57 L9H 115 
L9H H58 H58 H 0 1 N N N N N N 124.427 126.422 127.952 5.172   -0.938 1.138  H58 L9H 116 
L9H H59 H59 H 0 1 N N N N N N 124.904 128.013 128.637 4.473   0.670  1.444  H59 L9H 117 
L9H H60 H60 H 0 1 N N N N N N 122.051 127.576 127.826 6.116   1.038  3.264  H60 L9H 118 
L9H H61 H61 H 0 1 N N N N N N 122.658 126.801 129.329 6.815   -0.570 2.957  H61 L9H 119 
L9H H62 H62 H 0 1 N N N N N N 123.584 129.268 129.753 7.382   0.118  0.643  H62 L9H 120 
L9H H63 H63 H 0 1 N N N N N N 122.208 129.681 128.676 6.683   1.725  0.950  H63 L9H 121 
L9H H64 H64 H 0 1 N N N N N N 121.484 129.807 130.952 8.326   2.093  2.770  H64 L9H 122 
L9H H65 H65 H 0 1 N N N N N N 120.712 128.387 130.169 9.025   0.485  2.463  H65 L9H 123 
L9H H66 H66 H 0 1 N N N N N N 121.454 127.114 131.808 9.592   1.173  0.149  H66 L9H 124 
L9H H67 H67 H 0 1 N N N N N N 123.137 127.477 131.297 8.893   2.781  0.456  H67 L9H 125 
L9H H68 H68 H 0 1 N N N N N N 121.995 129.656 132.850 10.536  3.148  2.276  H68 L9H 126 
L9H H69 H69 H 0 1 N N N N N N 121.909 128.097 133.738 11.236  1.541  1.969  H69 L9H 127 
L9H H70 H70 H 0 1 N N N N N N 124.484 128.308 132.515 11.802  2.228  -0.345 H70 L9H 128 
L9H H71 H71 H 0 1 N N N N N N 124.128 129.847 133.371 11.103  3.836  -0.039 H71 L9H 129 
L9H H72 H72 H 0 1 N N N N N N 124.798 127.208 134.415 12.747  4.204  1.781  H72 L9H 130 
L9H H73 H73 H 0 1 N N N N N N 124.849 128.822 135.201 13.446  2.596  1.475  H73 L9H 131 
L9H H74 H74 H 0 1 N N N N N N 122.283 128.570 135.381 14.012  3.283  -0.839 H74 L9H 132 
L9H H75 H75 H 0 1 N N N N N N 122.586 126.831 135.052 13.313  4.891  -0.533 H75 L9H 133 
L9H H76 H76 H 0 1 N N N N N N 123.373 126.452 137.110 14.957  5.259  1.287  H76 L9H 134 
L9H H77 H77 H 0 1 N N N N N N 124.336 127.969 137.125 15.656  3.651  0.981  H77 L9H 135 
L9H H78 H78 H 0 1 N N N N N N 122.861 128.337 138.841 16.223  4.338  -1.333 H78 L9H 136 
L9H H79 H79 H 0 1 N N N N N N 122.014 129.116 137.461 15.524  5.946  -1.027 H79 L9H 137 
L9H H80 H80 H 0 1 N N N N N N 120.671 127.632 139.086 17.167  6.314  0.793  H80 L9H 138 
L9H H81 H81 H 0 1 N N N N N N 120.423 127.445 137.317 17.866  4.706  0.487  H81 L9H 139 
L9H H82 H82 H 0 1 N N N N N N 121.452 125.548 139.330 18.433  5.393  -1.827 H82 L9H 140 
L9H H83 H83 H 0 1 N N N N N N 122.393 125.607 137.801 17.734  7.001  -1.521 H83 L9H 141 
L9H H84 H84 H 0 1 N N N N N N 119.918 125.480 136.772 19.377  7.369  0.299  H84 L9H 142 
L9H H85 H85 H 0 1 N N N N N N 120.892 124.031 137.195 20.076  5.761  -0.007 H85 L9H 143 
L9H H86 H86 H 0 1 N N N N N N 118.623 123.863 138.025 20.643  6.448  -2.322 H86 L9H 144 
L9H H87 H87 H 0 1 N N N N N N 119.815 123.942 139.366 19.944  8.056  -2.015 H87 L9H 145 
L9H H88 H88 H 0 1 N N N N N N 118.842 125.391 138.943 21.397  7.534  -1.130 H88 L9H 146 
L9H H89 H89 H 0 1 N N N N N N 131.707 130.376 122.654 -1.291  -3.662 -1.525 H89 L9H 147 
# 
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 
L9H O6  C5  SING N N 1   
L9H O8  C7  SING N N 2   
L9H C5  C7  SING N N 3   
L9H C5  C2  SING N N 4   
L9H O1  C2  SING N N 5   
L9H C7  C9  SING N N 6   
L9H C2  C3  SING N N 7   
L9H O4  C3  SING N N 8   
L9H C9  O10 SING N N 9   
L9H C9  CA4 SING N N 10  
L9H C3  CA4 SING N N 11  
L9H CA4 OA5 SING N N 12  
L9H OA5 PA6 SING N N 13  
L9H PA6 OF0 DOUB N N 14  
L9H PA6 OA7 SING N N 15  
L9H PA6 OF1 SING N N 16  
L9H OA7 CA8 SING N N 17  
L9H CA8 CA9 SING N N 18  
L9H CB2 CB1 SING N N 19  
L9H CB2 CB3 SING N N 20  
L9H OB0 CB1 SING N N 21  
L9H OB0 CA9 SING N N 22  
L9H CB1 OC9 DOUB N N 23  
L9H CA9 CD0 SING N N 24  
L9H CD0 OD1 SING N N 25  
L9H CB3 CB4 SING N N 26  
L9H OD1 CD2 SING N N 27  
L9H CB4 CB5 SING N N 28  
L9H CD2 CD3 SING N N 29  
L9H CC8 CC7 SING N N 30  
L9H CC5 CC6 SING N N 31  
L9H CC5 CC4 SING N N 32  
L9H CB5 CB6 SING N N 33  
L9H CC7 CC6 SING N N 34  
L9H CB6 CB7 SING N N 35  
L9H CD3 CD4 SING N N 36  
L9H CD4 CD5 SING N N 37  
L9H CC4 CC3 SING N N 38  
L9H CC3 CC2 SING N N 39  
L9H CB7 CB8 SING N N 40  
L9H CB8 CB9 SING N N 41  
L9H CD5 CD6 SING N N 42  
L9H CC1 CC2 SING N N 43  
L9H CC1 CC0 SING N N 44  
L9H CD6 CD7 SING N N 45  
L9H CC0 CB9 SING N N 46  
L9H CD7 CD8 SING N N 47  
L9H CD8 CD9 SING N N 48  
L9H CD9 CE0 SING N N 49  
L9H CE0 CE1 SING N N 50  
L9H CE1 CE2 SING N N 51  
L9H CE2 CE3 SING N N 52  
L9H CE3 CE4 SING N N 53  
L9H CE4 CE5 SING N N 54  
L9H CE8 CE7 SING N N 55  
L9H CE8 CE9 SING N N 56  
L9H CE5 CE6 SING N N 57  
L9H CE6 CE7 SING N N 58  
L9H C5  H1  SING N N 59  
L9H O6  H2  SING N N 60  
L9H C2  H3  SING N N 61  
L9H O1  H4  SING N N 62  
L9H C3  H5  SING N N 63  
L9H O4  H6  SING N N 64  
L9H C7  H7  SING N N 65  
L9H O8  H8  SING N N 66  
L9H C9  H9  SING N N 67  
L9H O10 H10 SING N N 68  
L9H CA4 H11 SING N N 69  
L9H CA8 H12 SING N N 70  
L9H CA8 H13 SING N N 71  
L9H CA9 H14 SING N N 72  
L9H CB2 H15 SING N N 73  
L9H CB2 H16 SING N N 74  
L9H CB3 H17 SING N N 75  
L9H CB3 H18 SING N N 76  
L9H CB4 H19 SING N N 77  
L9H CB4 H20 SING N N 78  
L9H CB5 H21 SING N N 79  
L9H CB5 H22 SING N N 80  
L9H CB6 H23 SING N N 81  
L9H CB6 H24 SING N N 82  
L9H CB7 H25 SING N N 83  
L9H CB7 H26 SING N N 84  
L9H CB8 H27 SING N N 85  
L9H CB8 H28 SING N N 86  
L9H CB9 H29 SING N N 87  
L9H CB9 H30 SING N N 88  
L9H CC0 H31 SING N N 89  
L9H CC0 H32 SING N N 90  
L9H CC1 H33 SING N N 91  
L9H CC1 H34 SING N N 92  
L9H CC2 H35 SING N N 93  
L9H CC2 H36 SING N N 94  
L9H CC3 H37 SING N N 95  
L9H CC3 H38 SING N N 96  
L9H CC4 H39 SING N N 97  
L9H CC4 H40 SING N N 98  
L9H CC5 H41 SING N N 99  
L9H CC5 H42 SING N N 100 
L9H CC6 H43 SING N N 101 
L9H CC6 H44 SING N N 102 
L9H CC7 H45 SING N N 103 
L9H CC7 H46 SING N N 104 
L9H CC8 H47 SING N N 105 
L9H CC8 H48 SING N N 106 
L9H CC8 H49 SING N N 107 
L9H CD0 H50 SING N N 108 
L9H CD0 H51 SING N N 109 
L9H CD2 H52 SING N N 110 
L9H CD2 H53 SING N N 111 
L9H CD3 H54 SING N N 112 
L9H CD3 H55 SING N N 113 
L9H CD4 H56 SING N N 114 
L9H CD4 H57 SING N N 115 
L9H CD5 H58 SING N N 116 
L9H CD5 H59 SING N N 117 
L9H CD6 H60 SING N N 118 
L9H CD6 H61 SING N N 119 
L9H CD7 H62 SING N N 120 
L9H CD7 H63 SING N N 121 
L9H CD8 H64 SING N N 122 
L9H CD8 H65 SING N N 123 
L9H CD9 H66 SING N N 124 
L9H CD9 H67 SING N N 125 
L9H CE0 H68 SING N N 126 
L9H CE0 H69 SING N N 127 
L9H CE1 H70 SING N N 128 
L9H CE1 H71 SING N N 129 
L9H CE2 H72 SING N N 130 
L9H CE2 H73 SING N N 131 
L9H CE3 H74 SING N N 132 
L9H CE3 H75 SING N N 133 
L9H CE4 H76 SING N N 134 
L9H CE4 H77 SING N N 135 
L9H CE5 H78 SING N N 136 
L9H CE5 H79 SING N N 137 
L9H CE6 H80 SING N N 138 
L9H CE6 H81 SING N N 139 
L9H CE7 H82 SING N N 140 
L9H CE7 H83 SING N N 141 
L9H CE8 H84 SING N N 142 
L9H CE8 H85 SING N N 143 
L9H CE9 H86 SING N N 144 
L9H CE9 H87 SING N N 145 
L9H CE9 H88 SING N N 146 
L9H OF1 H89 SING N N 147 
# 
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 
L9H InChI            InChI                1.06  "InChI=1S/C45H89O12P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-54-36-38(37-55-58(52,53)57-45-43(50)41(48)40(47)42(49)44(45)51)56-39(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h38,40-45,47-51H,3-37H2,1-2H3,(H,52,53)/t38-,40-,41-,42+,43-,44-,45-/m1/s1" 
L9H InChIKey         InChI                1.06  DCGQAFILALMHKI-ZUOUNGDVSA-N                                                                                                                                                                                                                                               
L9H SMILES_CANONICAL CACTVS               3.385 "CCCCCCCCCCCCCCCCCCOC[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"                                                                                                                                                          
L9H SMILES           CACTVS               3.385 "CCCCCCCCCCCCCCCCCCOC[CH](CO[P](O)(=O)O[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1O)OC(=O)CCCCCCCCCCCCCCCCC"                                                                                                                                                                   
L9H SMILES_CANONICAL "OpenEye OEToolkits" 2.0.7 "CCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)O)O)O)OC(=O)CCCCCCCCCCCCCCCCC"                                                                                                                                                                     
L9H SMILES           "OpenEye OEToolkits" 2.0.7 "CCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)OC1C(C(C(C(C1O)O)O)O)O)OC(=O)CCCCCCCCCCCCCCCCC"                                                                                                                                                                                          
# 
_pdbx_chem_comp_identifier.comp_id           L9H 
_pdbx_chem_comp_identifier.type              "SYSTEMATIC NAME" 
_pdbx_chem_comp_identifier.program           "OpenEye OEToolkits" 
_pdbx_chem_comp_identifier.program_version   2.0.7 
_pdbx_chem_comp_identifier.identifier        "[(2~{R})-1-octadecoxy-3-[oxidanyl-[(2~{R},3~{R},5~{S},6~{R})-2,3,4,5,6-pentakis(oxidanyl)cyclohexyl]oxy-phosphoryl]oxy-propan-2-yl] 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 
L9H "Create component" 2023-08-21 PDBC 
L9H "Initial release"  2023-12-20 RCSB 
# 
