data_A1L1H
# 
_chem_comp.id                                    A1L1H 
_chem_comp.name                                  "[(2~{R})-3-[2-(dimethylamino)ethoxy-oxidanyl-phosphoryl]oxy-2-[(~{Z})-octadec-9-enoyl]oxy-propyl] (~{Z})-octadec-9-enoate" 
_chem_comp.type                                  non-polymer 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C43 H82 N O8 P" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2024-05-03 
_chem_comp.pdbx_modified_date                    2024-10-11 
_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                        772.087 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     A1L1H 
_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        8YS9 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  PDBJ 
_chem_comp.pdbx_pcm                              ? 
# 
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_n_terminal_atom_flag 
_chem_comp_atom.pdbx_backbone_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 
A1L1H C15 C1  C 0 1 N N N N N N 13.698 28.478 28.575 -4.898  -0.045 2.106  C15 A1L1H 1   
A1L1H C16 C2  C 0 1 N N N N N N 14.489 27.487 29.410 -3.919  0.892  2.816  C16 A1L1H 2   
A1L1H C17 C3  C 0 1 N N N N N N 14.200 27.564 30.862 -2.837  1.339  1.832  C17 A1L1H 3   
A1L1H C18 C4  C 0 1 N N N N N N 14.931 26.493 31.611 -1.872  2.262  2.532  C18 A1L1H 4   
A1L1H C19 C5  C 0 1 N N N N N N 14.724 24.670 33.107 0.055   3.663  2.597  C19 A1L1H 5   
A1L1H C20 C6  C 0 1 N N R N N N 15.003 25.217 34.450 1.171   4.153  1.672  C20 A1L1H 6   
A1L1H C21 C7  C 0 1 N N N N N N 15.603 24.200 35.317 0.555   4.806  0.433  C21 A1L1H 7   
A1L1H C22 C8  C 0 1 N N N N N N 17.511 21.750 37.597 -2.719  2.899  -3.243 C22 A1L1H 8   
A1L1H C23 C9  C 0 1 N N N N N N 17.987 23.035 38.228 -3.355  1.517  -3.408 C23 A1L1H 9   
A1L1H C24 C10 C 0 1 N N N N N N 17.349 24.825 39.777 -5.475  2.226  -2.476 C24 A1L1H 10  
A1L1H C25 C11 C 0 1 N N N N N N 17.376 22.538 40.486 -4.800  -0.094 -2.322 C25 A1L1H 11  
A1L1H C26 C12 C 0 1 N N N N N N 13.394 26.927 34.901 3.287   3.280  1.009  C26 A1L1H 12  
A1L1H C27 C13 C 0 1 N N N N N N 12.059 27.156 35.552 4.203   2.161  0.584  C27 A1L1H 13  
A1L1H C28 C14 C 0 1 N N N N N N 11.590 28.562 35.302 5.611   2.714  0.355  C28 A1L1H 14  
A1L1H C1  C15 C 0 1 N N N N N N 16.463 32.255 36.510 -17.089 -5.066 -4.597 C1  A1L1H 15  
A1L1H C2  C16 C 0 1 N N N N N N 16.484 31.551 35.201 -16.054 -4.104 -4.012 C2  A1L1H 16  
A1L1H C3  C17 C 0 1 N N N N N N 15.649 32.250 34.165 -15.654 -4.575 -2.612 C3  A1L1H 17  
A1L1H C4  C18 C 0 1 N N N N N N 14.613 31.361 33.492 -14.618 -3.613 -2.026 C4  A1L1H 18  
A1L1H C5  C19 C 0 1 N N N N N N 14.102 31.936 32.176 -14.218 -4.084 -0.627 C5  A1L1H 19  
A1L1H C6  C20 C 0 1 N N N N N N 12.604 32.102 32.172 -13.183 -3.122 -0.041 C6  A1L1H 20  
A1L1H C7  C21 C 0 1 N N N N N N 11.871 30.976 31.496 -12.783 -3.593 1.358  C7  A1L1H 21  
A1L1H C8  C22 C 0 1 N N N N N N 10.341 31.085 31.602 -11.748 -2.631 1.944  C8  A1L1H 22  
A1L1H C9  C23 C 0 1 N N N N N N 9.688  31.585 30.341 -11.354 -3.095 3.322  C9  A1L1H 23  
A1L1H C10 C24 C 0 1 N N N N N N 9.275  30.970 29.232 -10.089 -3.254 3.623  C10 A1L1H 24  
A1L1H C11 C25 C 0 1 N N N N N N 9.269  29.530 28.920 -9.022  -2.813 2.654  C11 A1L1H 25  
A1L1H C12 C26 C 0 1 N N N N N N 10.006 29.182 27.630 -8.043  -1.876 3.364  C12 A1L1H 26  
A1L1H C13 C27 C 0 1 N N N N N N 11.504 29.407 27.772 -6.960  -1.429 2.380  C13 A1L1H 27  
A1L1H C14 C28 C 0 1 N N N N N N 12.202 28.316 28.589 -5.981  -0.492 3.090  C14 A1L1H 28  
A1L1H O1  O1  O 0 1 N N N N N N 16.126 26.378 31.627 -2.034  2.534  3.698  O1  A1L1H 29  
A1L1H O2  O2  O 0 1 N N N N N N 14.103 25.629 32.221 -0.833  2.782  1.860  O2  A1L1H 30  
A1L1H O3  O3  O 0 1 N N N N N N 14.817 23.026 35.445 -0.342  3.887  -0.194 O3  A1L1H 31  
A1L1H P1  P1  P 0 1 N N N N N N 15.534 21.625 35.792 -1.169  4.241  -1.529 P1  A1L1H 32  
A1L1H O4  O4  O 0 1 N N N N N N 16.628 21.423 34.780 -0.232  4.675  -2.589 O4  A1L1H 33  
A1L1H O5  O5  O 0 1 N N N N N N 14.465 20.574 35.831 -2.211  5.427  -1.216 O5  A1L1H 34  
A1L1H O6  O6  O 0 1 N N N N N N 16.120 21.842 37.255 -1.973  2.937  -2.024 O6  A1L1H 35  
A1L1H N1  N1  N 0 1 N N N N N N 17.107 23.442 39.361 -4.341  1.301  -2.341 N1  A1L1H 36  
A1L1H O7  O7  O 0 1 N N N N N N 13.748 25.643 35.054 1.994   3.028  1.268  O7  A1L1H 37  
A1L1H O8  O8  O 0 1 N N N N N N 14.026 27.744 34.289 3.716   4.404  1.117  O8  A1L1H 38  
A1L1H C29 C29 C 0 1 N N N N N N 12.318 29.491 36.195 6.541   1.579  -0.076 C29 A1L1H 39  
A1L1H C30 C30 C 0 1 N N N N N N 11.682 29.506 37.569 7.949   2.132  -0.306 C30 A1L1H 40  
A1L1H C31 C31 C 0 1 N N N N N N 12.692 29.762 38.665 8.879   0.996  -0.737 C31 A1L1H 41  
A1L1H C32 C32 C 0 1 N N N N N N 12.169 30.705 39.734 10.287  1.549  -0.967 C32 A1L1H 42  
A1L1H C33 C33 C 0 1 N N N N N N 12.958 31.993 39.671 11.217  0.413  -1.398 C33 A1L1H 43  
A1L1H C34 C34 C 0 1 N N N N N N 14.233 31.753 40.352 12.604  0.958  -1.624 C34 A1L1H 44  
A1L1H C35 C35 C 0 1 N N N N N N 14.762 32.561 41.237 13.631  0.400  -1.032 C35 A1L1H 45  
A1L1H C36 C36 C 0 1 N N N N N N 14.255 33.896 41.595 13.452  -0.883 -0.264 C36 A1L1H 46  
A1L1H C37 C37 C 0 1 N N N N N N 15.134 34.965 40.979 14.449  -1.926 -0.774 C37 A1L1H 47  
A1L1H C38 C38 C 0 1 N N N N N N 14.567 35.383 39.660 14.268  -3.229 0.007  C38 A1L1H 48  
A1L1H C39 C39 C 0 1 N N N N N N 15.379 36.450 38.973 15.265  -4.272 -0.503 C39 A1L1H 49  
A1L1H C40 C40 C 0 1 N N N N N N 15.800 36.045 37.576 15.084  -5.575 0.277  C40 A1L1H 50  
A1L1H C41 C41 C 0 1 N N N N N N 14.860 36.562 36.498 16.081  -6.618 -0.232 C41 A1L1H 51  
A1L1H C42 C42 C 0 1 N N N N N N 15.648 37.252 35.409 15.900  -7.921 0.548  C42 A1L1H 52  
A1L1H C43 C43 C 0 1 N N N N N N 15.775 36.388 34.183 16.897  -8.964 0.038  C43 A1L1H 53  
A1L1H H1  H1  H 0 1 N N N N N N 14.036 28.383 27.532 -5.362  0.480  1.270  H1  A1L1H 54  
A1L1H H2  H2  H 0 1 N N N N N N 13.929 29.488 28.945 -4.362  -0.918 1.735  H2  A1L1H 55  
A1L1H H3  H3  H 0 1 N N N N N N 14.250 26.471 29.062 -4.456  1.765  3.188  H3  A1L1H 56  
A1L1H H4  H4  H 0 1 N N N N N N 15.561 27.683 29.259 -3.456  0.368  3.652  H4  A1L1H 57  
A1L1H H5  H5  H 0 1 N N N N N N 14.516 28.547 31.240 -2.300  0.467  1.461  H5  A1L1H 58  
A1L1H H6  H6  H 0 1 N N N N N N 13.119 27.440 31.021 -3.300  1.864  0.997  H6  A1L1H 59  
A1L1H H7  H7  H 0 1 N N N N N N 14.052 23.806 33.214 0.491   3.120  3.436  H7  A1L1H 60  
A1L1H H8  H8  H 0 1 N N N N N N 15.673 24.343 32.658 -0.509  4.517  2.971  H8  A1L1H 61  
A1L1H H9  H9  H 0 1 N N N N N N 15.684 26.076 34.362 1.786   4.882  2.199  H9  A1L1H 62  
A1L1H H10 H10 H 0 1 N N N N N N 16.581 23.920 34.899 0.010   5.702  0.727  H10 A1L1H 63  
A1L1H H11 H11 H 0 1 N N N N N N 15.743 24.635 36.317 1.346   5.076  -0.267 H11 A1L1H 64  
A1L1H H12 H12 H 0 1 N N N N N N 17.655 20.923 38.308 -2.053  3.095  -4.083 H12 A1L1H 65  
A1L1H H13 H13 H 0 1 N N N N N N 18.096 21.556 36.686 -3.501  3.658  -3.213 H13 A1L1H 66  
A1L1H H14 H14 H 0 1 N N N N N N 19.011 22.892 38.603 -3.850  1.458  -4.377 H14 A1L1H 67  
A1L1H H15 H15 H 0 1 N N N N N N 17.983 23.830 37.468 -2.581  0.752  -3.348 H15 A1L1H 68  
A1L1H H16 H16 H 0 1 N N N N N N 16.680 25.080 40.612 -5.960  2.066  -3.439 H16 A1L1H 69  
A1L1H H17 H17 H 0 1 N N N N N N 18.395 24.933 40.100 -6.189  2.044  -1.674 H17 A1L1H 70  
A1L1H H18 H18 H 0 1 N N N N N N 17.154 25.501 38.932 -5.115  3.253  -2.417 H18 A1L1H 71  
A1L1H H19 H19 H 0 1 N N N N N N 16.739 22.814 41.339 -3.949  -0.754 -2.151 H19 A1L1H 72  
A1L1H H20 H20 H 0 1 N N N N N N 17.156 21.503 40.185 -5.529  -0.227 -1.523 H20 A1L1H 73  
A1L1H H21 H21 H 0 1 N N N N N N 18.434 22.619 40.776 -5.261  -0.338 -3.279 H21 A1L1H 74  
A1L1H H22 H22 H 0 1 N N N N N N 11.326 26.450 35.135 4.234   1.401  1.365  H22 A1L1H 75  
A1L1H H23 H23 H 0 1 N N N N N N 12.151 26.992 36.636 3.831   1.719  -0.340 H23 A1L1H 76  
A1L1H H24 H24 H 0 1 N N N N N N 11.785 28.833 34.254 5.580   3.475  -0.425 H24 A1L1H 77  
A1L1H H25 H25 H 0 1 N N N N N N 10.511 28.630 35.504 5.983   3.157  1.279  H25 A1L1H 78  
A1L1H H26 H26 H 0 1 N N N N N N 17.086 31.707 37.232 -17.374 -4.731 -5.594 H26 A1L1H 79  
A1L1H H27 H27 H 0 1 N N N N N N 16.858 33.274 36.385 -16.661 -6.067 -4.659 H27 A1L1H 80  
A1L1H H28 H28 H 0 1 N N N N N N 15.429 32.306 36.882 -17.970 -5.087 -3.955 H28 A1L1H 81  
A1L1H H29 H29 H 0 1 N N N N N N 16.094 30.532 35.341 -15.173 -4.083 -4.654 H29 A1L1H 82  
A1L1H H30 H30 H 0 1 N N N N N N 17.523 31.500 34.843 -16.482 -3.103 -3.950 H30 A1L1H 83  
A1L1H H31 H31 H 0 1 N N N N N N 16.322 32.644 33.389 -16.534 -4.596 -1.970 H31 A1L1H 84  
A1L1H H32 H32 H 0 1 N N N N N N 15.123 33.084 34.652 -15.226 -5.576 -2.674 H32 A1L1H 85  
A1L1H H33 H33 H 0 1 N N N N N N 13.760 31.237 34.175 -13.738 -3.592 -2.668 H33 A1L1H 86  
A1L1H H34 H34 H 0 1 N N N N N N 15.069 30.380 33.293 -15.046 -2.612 -1.964 H34 A1L1H 87  
A1L1H H35 H35 H 0 1 N N N N N N 14.386 31.257 31.359 -15.099 -4.105 0.015  H35 A1L1H 88  
A1L1H H36 H36 H 0 1 N N N N N N 14.568 32.919 32.014 -13.790 -5.085 -0.689 H36 A1L1H 89  
A1L1H H37 H37 H 0 1 N N N N N N 12.360 33.038 31.649 -12.302 -3.101 -0.683 H37 A1L1H 90  
A1L1H H38 H38 H 0 1 N N N N N N 12.259 32.164 33.215 -13.611 -2.121 0.021  H38 A1L1H 91  
A1L1H H39 H39 H 0 1 N N N N N N 12.185 30.029 31.959 -13.664 -3.614 2.000  H39 A1L1H 92  
A1L1H H40 H40 H 0 1 N N N N N N 12.146 30.972 30.431 -12.355 -4.593 1.296  H40 A1L1H 93  
A1L1H H41 H41 H 0 1 N N N N N N 10.097 31.779 32.420 -10.867 -2.610 1.302  H41 A1L1H 94  
A1L1H H42 H42 H 0 1 N N N N N N 9.936  30.089 31.833 -12.176 -1.630 2.006  H42 A1L1H 95  
A1L1H H43 H43 H 0 1 N N N N N N 9.521  32.652 30.333 -12.114 -3.296 4.062  H43 A1L1H 96  
A1L1H H44 H44 H 0 1 N N N N N N 8.892  31.616 28.456 -9.810  -3.701 4.566  H44 A1L1H 97  
A1L1H H45 H45 H 0 1 N N N N N N 8.224  29.199 28.824 -8.486  -3.686 2.283  H45 A1L1H 98  
A1L1H H46 H46 H 0 1 N N N N N N 9.749  28.992 29.751 -9.485  -2.289 1.818  H46 A1L1H 99  
A1L1H H47 H47 H 0 1 N N N N N N 9.624  29.816 26.817 -8.580  -1.003 3.736  H47 A1L1H 100 
A1L1H H48 H48 H 0 1 N N N N N N 9.824  28.125 27.387 -7.580  -2.401 4.200  H48 A1L1H 101 
A1L1H H49 H49 H 0 1 N N N N N N 11.951 29.431 26.767 -6.424  -2.302 2.009  H49 A1L1H 102 
A1L1H H50 H50 H 0 1 N N N N N N 11.667 30.375 28.269 -7.424  -0.904 1.544  H50 A1L1H 103 
A1L1H H51 H51 H 0 1 N N N N N N 11.848 28.369 29.629 -5.518  -1.017 3.926  H51 A1L1H 104 
A1L1H H52 H52 H 0 1 N N N N N N 11.946 27.334 28.164 -6.518  0.381  3.462  H52 A1L1H 105 
A1L1H H53 H53 H 0 1 N N N N N N 14.651 19.908 35.179 -2.857  5.212  -0.529 H53 A1L1H 106 
A1L1H H55 H55 H 0 1 N N N N N N 13.365 29.164 36.283 6.572   0.818  0.704  H55 A1L1H 107 
A1L1H H56 H56 H 0 1 N N N N N N 12.285 30.505 35.769 6.169   1.136  -1.001 H56 A1L1H 108 
A1L1H H57 H57 H 0 1 N N N N N N 10.920 30.299 37.598 7.918   2.892  -1.086 H57 A1L1H 109 
A1L1H H58 H58 H 0 1 N N N N N N 11.204 28.532 37.749 8.321   2.574  0.618  H58 A1L1H 110 
A1L1H H59 H59 H 0 1 N N N N N N 12.950 28.803 39.137 8.910   0.235  0.043  H59 A1L1H 111 
A1L1H H60 H60 H 0 1 N N N N N N 13.594 30.204 38.216 8.507   0.553  -1.661 H60 A1L1H 112 
A1L1H H61 H61 H 0 1 N N N N N N 11.104 30.914 39.555 10.256  2.309  -1.747 H61 A1L1H 113 
A1L1H H62 H62 H 0 1 N N N N N N 12.290 30.245 40.726 10.658  1.992  -0.043 H62 A1L1H 114 
A1L1H H63 H63 H 0 1 N N N N N N 13.138 32.274 38.623 11.248  -0.347 -0.618 H63 A1L1H 115 
A1L1H H64 H64 H 0 1 N N N N N N 12.406 32.798 40.177 10.845  -0.029 -2.322 H64 A1L1H 116 
A1L1H H65 H65 H 0 1 N N N N N N 14.773 30.850 40.108 12.751  1.808  -2.274 H65 A1L1H 117 
A1L1H H66 H66 H 0 1 N N N N N N 15.648 32.217 41.749 14.606  0.861  -1.095 H66 A1L1H 118 
A1L1H H67 H67 H 0 1 N N N N N N 14.260 34.006 42.689 13.628  -0.700 0.796  H67 A1L1H 119 
A1L1H H68 H68 H 0 1 N N N N N N 13.227 34.008 41.220 12.436  -1.253 -0.405 H68 A1L1H 120 
A1L1H H69 H69 H 0 1 N N N N N N 16.148 34.565 40.831 14.273  -2.109 -1.833 H69 A1L1H 121 
A1L1H H70 H70 H 0 1 N N N N N N 15.178 35.835 41.651 15.465  -1.556 -0.633 H70 A1L1H 122 
A1L1H H71 H71 H 0 1 N N N N N N 13.550 35.769 39.824 14.444  -3.046 1.067  H71 A1L1H 123 
A1L1H H72 H72 H 0 1 N N N N N N 14.523 34.501 39.004 13.252  -3.599 -0.134 H72 A1L1H 124 
A1L1H H73 H73 H 0 1 N N N N N N 16.281 36.647 39.571 15.089  -4.455 -1.563 H73 A1L1H 125 
A1L1H H74 H74 H 0 1 N N N N N N 14.775 37.367 38.908 16.281  -3.902 -0.362 H74 A1L1H 126 
A1L1H H75 H75 H 0 1 N N N N N N 15.825 34.947 37.522 15.260  -5.392 1.337  H75 A1L1H 127 
A1L1H H76 H76 H 0 1 N N N N N N 16.807 36.444 37.384 14.068  -5.945 0.136  H76 A1L1H 128 
A1L1H H77 H77 H 0 1 N N N N N N 14.153 37.277 36.944 15.905  -6.801 -1.292 H77 A1L1H 129 
A1L1H H78 H78 H 0 1 N N N N N N 14.304 35.718 36.065 17.097  -6.248 -0.091 H78 A1L1H 130 
A1L1H H79 H79 H 0 1 N N N N N N 16.654 37.483 35.789 16.076  -7.738 1.608  H79 A1L1H 131 
A1L1H H80 H80 H 0 1 N N N N N N 15.136 38.186 35.135 14.884  -8.291 0.407  H80 A1L1H 132 
A1L1H H81 H81 H 0 1 N N N N N N 16.353 36.923 33.415 17.913  -8.594 0.179  H81 A1L1H 133 
A1L1H H82 H82 H 0 1 N N N N N N 16.291 35.453 34.445 16.767  -9.892 0.594  H82 A1L1H 134 
A1L1H H83 H83 H 0 1 N N N N N N 14.773 36.156 33.792 16.721  -9.147 -1.022 H83 A1L1H 135 
# 
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 
A1L1H C12 C13 SING N N 1   
A1L1H C12 C11 SING N N 2   
A1L1H C13 C14 SING N N 3   
A1L1H C15 C14 SING N N 4   
A1L1H C15 C16 SING N N 5   
A1L1H C11 C10 SING N N 6   
A1L1H C10 C9  DOUB N Z 7   
A1L1H C16 C17 SING N N 8   
A1L1H C9  C8  SING N N 9   
A1L1H C17 C18 SING N N 10  
A1L1H C7  C8  SING N N 11  
A1L1H C7  C6  SING N N 12  
A1L1H C18 O1  DOUB N N 13  
A1L1H C18 O2  SING N N 14  
A1L1H C6  C5  SING N N 15  
A1L1H C5  C4  SING N N 16  
A1L1H O2  C19 SING N N 17  
A1L1H C19 C20 SING N N 18  
A1L1H C4  C3  SING N N 19  
A1L1H C3  C2  SING N N 20  
A1L1H C43 C42 SING N N 21  
A1L1H O8  C26 DOUB N N 22  
A1L1H C20 O7  SING N N 23  
A1L1H C20 C21 SING N N 24  
A1L1H O4  P1  DOUB N N 25  
A1L1H C26 O7  SING N N 26  
A1L1H C26 C27 SING N N 27  
A1L1H C2  C1  SING N N 28  
A1L1H C28 C27 SING N N 29  
A1L1H C28 C29 SING N N 30  
A1L1H C21 O3  SING N N 31  
A1L1H C42 C41 SING N N 32  
A1L1H O3  P1  SING N N 33  
A1L1H P1  O5  SING N N 34  
A1L1H P1  O6  SING N N 35  
A1L1H C29 C30 SING N N 36  
A1L1H C41 C40 SING N N 37  
A1L1H O6  C22 SING N N 38  
A1L1H C30 C31 SING N N 39  
A1L1H C40 C39 SING N N 40  
A1L1H C22 C23 SING N N 41  
A1L1H C23 N1  SING N N 42  
A1L1H C31 C32 SING N N 43  
A1L1H C39 C38 SING N N 44  
A1L1H N1  C24 SING N N 45  
A1L1H N1  C25 SING N N 46  
A1L1H C38 C37 SING N N 47  
A1L1H C33 C32 SING N N 48  
A1L1H C33 C34 SING N N 49  
A1L1H C34 C35 DOUB N Z 50  
A1L1H C37 C36 SING N N 51  
A1L1H C35 C36 SING N N 52  
A1L1H C15 H1  SING N N 53  
A1L1H C15 H2  SING N N 54  
A1L1H C16 H3  SING N N 55  
A1L1H C16 H4  SING N N 56  
A1L1H C17 H5  SING N N 57  
A1L1H C17 H6  SING N N 58  
A1L1H C19 H7  SING N N 59  
A1L1H C19 H8  SING N N 60  
A1L1H C20 H9  SING N N 61  
A1L1H C21 H10 SING N N 62  
A1L1H C21 H11 SING N N 63  
A1L1H C22 H12 SING N N 64  
A1L1H C22 H13 SING N N 65  
A1L1H C23 H14 SING N N 66  
A1L1H C23 H15 SING N N 67  
A1L1H C24 H16 SING N N 68  
A1L1H C24 H17 SING N N 69  
A1L1H C24 H18 SING N N 70  
A1L1H C25 H19 SING N N 71  
A1L1H C25 H20 SING N N 72  
A1L1H C25 H21 SING N N 73  
A1L1H C27 H22 SING N N 74  
A1L1H C27 H23 SING N N 75  
A1L1H C28 H24 SING N N 76  
A1L1H C28 H25 SING N N 77  
A1L1H C1  H26 SING N N 78  
A1L1H C1  H27 SING N N 79  
A1L1H C1  H28 SING N N 80  
A1L1H C2  H29 SING N N 81  
A1L1H C2  H30 SING N N 82  
A1L1H C3  H31 SING N N 83  
A1L1H C3  H32 SING N N 84  
A1L1H C4  H33 SING N N 85  
A1L1H C4  H34 SING N N 86  
A1L1H C5  H35 SING N N 87  
A1L1H C5  H36 SING N N 88  
A1L1H C6  H37 SING N N 89  
A1L1H C6  H38 SING N N 90  
A1L1H C7  H39 SING N N 91  
A1L1H C7  H40 SING N N 92  
A1L1H C8  H41 SING N N 93  
A1L1H C8  H42 SING N N 94  
A1L1H C9  H43 SING N N 95  
A1L1H C10 H44 SING N N 96  
A1L1H C11 H45 SING N N 97  
A1L1H C11 H46 SING N N 98  
A1L1H C12 H47 SING N N 99  
A1L1H C12 H48 SING N N 100 
A1L1H C13 H49 SING N N 101 
A1L1H C13 H50 SING N N 102 
A1L1H C14 H51 SING N N 103 
A1L1H C14 H52 SING N N 104 
A1L1H O5  H53 SING N N 105 
A1L1H C29 H55 SING N N 106 
A1L1H C29 H56 SING N N 107 
A1L1H C30 H57 SING N N 108 
A1L1H C30 H58 SING N N 109 
A1L1H C31 H59 SING N N 110 
A1L1H C31 H60 SING N N 111 
A1L1H C32 H61 SING N N 112 
A1L1H C32 H62 SING N N 113 
A1L1H C33 H63 SING N N 114 
A1L1H C33 H64 SING N N 115 
A1L1H C34 H65 SING N N 116 
A1L1H C35 H66 SING N N 117 
A1L1H C36 H67 SING N N 118 
A1L1H C36 H68 SING N N 119 
A1L1H C37 H69 SING N N 120 
A1L1H C37 H70 SING N N 121 
A1L1H C38 H71 SING N N 122 
A1L1H C38 H72 SING N N 123 
A1L1H C39 H73 SING N N 124 
A1L1H C39 H74 SING N N 125 
A1L1H C40 H75 SING N N 126 
A1L1H C40 H76 SING N N 127 
A1L1H C41 H77 SING N N 128 
A1L1H C41 H78 SING N N 129 
A1L1H C42 H79 SING N N 130 
A1L1H C42 H80 SING N N 131 
A1L1H C43 H81 SING N N 132 
A1L1H C43 H82 SING N N 133 
A1L1H C43 H83 SING N N 134 
# 
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 
A1L1H InChI            InChI                1.06  "InChI=1S/C43H82NO8P/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44(3)4)52-43(46)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h19-22,41H,5-18,23-40H2,1-4H3,(H,47,48)/b21-19-,22-20-/t41-/m1/s1" 
A1L1H InChIKey         InChI                1.06  XHPZRQBHFOVLEJ-UNUIOPIBSA-N                                                                                                                                                                                                                    
A1L1H SMILES_CANONICAL CACTVS               3.385 "CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](CO[P](O)(=O)OCCN(C)C)OC(=O)CCCCCCC\C=C/CCCCCCCC"                                                                                                                                                             
A1L1H SMILES           CACTVS               3.385 "CCCCCCCCC=CCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCCN(C)C)OC(=O)CCCCCCCC=CCCCCCCCC"                                                                                                                                                                  
A1L1H SMILES_CANONICAL "OpenEye OEToolkits" 2.0.7 "CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC"                                                                                                                                                               
A1L1H SMILES           "OpenEye OEToolkits" 2.0.7 "CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCCN(C)C)OC(=O)CCCCCCCC=CCCCCCCCC"                                                                                                                                                                       
# 
_pdbx_chem_comp_identifier.comp_id           A1L1H 
_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})-3-[2-(dimethylamino)ethoxy-oxidanyl-phosphoryl]oxy-2-[(~{Z})-octadec-9-enoyl]oxy-propyl] (~{Z})-octadec-9-enoate" 
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
A1L1H "Create component" 2024-05-03 PDBJ 
A1L1H "Initial release"  2024-10-16 RCSB 
# 
