data_A1A0P
# 
_chem_comp.id                                    A1A0P 
_chem_comp.name                                  "(2R)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(hexadecanoyloxy)propyl (9Z)-heptadec-9-enoate" 
_chem_comp.type                                  non-polymer 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C38 H74 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                     2024-08-01 
_chem_comp.pdbx_modified_date                    2025-01-03 
_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                        703.970 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     A1A0P 
_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        9CL2 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  RCSB 
_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 
A1A0P C2   C1  C 0 1 N N N N N N 172.340 158.488 163.452 -0.224  -3.741 -1.573 C2   A1A0P 1   
A1A0P O3   O1  O 0 1 N N N N N N 172.832 157.445 162.576 -1.121  -2.714 -1.076 O3   A1A0P 2   
A1A0P C4   C2  C 0 1 N N N N N N 171.950 156.612 162.012 -2.269  -2.529 -1.747 C4   A1A0P 3   
A1A0P C1   C3  C 0 1 N N R N N N 171.969 159.633 162.548 1.021   -3.804 -0.686 C1   A1A0P 4   
A1A0P O5   O2  O 0 1 N N N N N N 170.766 156.632 162.223 -2.516  -3.204 -2.718 O5   A1A0P 5   
A1A0P O6   O3  O 0 1 N N N N N N 170.527 159.552 162.285 1.760   -2.560 -0.801 O6   A1A0P 6   
A1A0P C7   C4  C 0 1 N N N N N N 172.629 155.649 161.086 -3.250  -1.480 -1.289 C7   A1A0P 7   
A1A0P C8   C5  C 0 1 N N N N N N 172.226 160.963 163.187 0.600   -4.015 0.770  C8   A1A0P 8   
A1A0P O9   O4  O 0 1 N N N N N N 172.250 161.971 162.155 -0.321  -2.991 1.152  O9   A1A0P 9   
A1A0P O10  O5  O 0 1 N N N N N N 170.724 163.876 162.030 -1.853  -1.559 2.738  O10  A1A0P 10  
A1A0P C11  C6  C 0 1 N N N N N N 170.468 164.028 160.611 -2.476  -1.140 3.953  C11  A1A0P 11  
A1A0P C12  C7  C 0 1 N N N N N N 171.053 165.316 160.109 -3.231  0.169  3.714  C12  A1A0P 12  
A1A0P N13  N1  N 0 1 N N N N N N 172.378 165.578 160.726 -4.334  -0.066 2.773  N13  A1A0P 13  
A1A0P P14  P1  P 0 1 N N N N N N 172.192 163.518 162.544 -0.972  -2.902 2.622  P14  A1A0P 14  
A1A0P O15  O6  O 0 1 N N N N N N 172.257 163.668 164.017 -1.914  -4.184 2.870  O15  A1A0P 15  
A1A0P O16  O7  O 0 1 N N N N N N 173.162 164.241 161.696 0.104   -2.875 3.637  O16  A1A0P 16  
A1A0P C17  C8  C 0 1 N N N N N N 169.999 159.576 161.033 3.091   -2.625 -0.639 C17  A1A0P 17  
A1A0P O18  O8  O 0 1 N N N N N N 168.835 159.778 160.818 3.621   -3.687 -0.409 O18  A1A0P 18  
A1A0P C19  C9  C 0 1 N N N N N N 171.000 159.341 159.930 3.925   -1.374 -0.744 C19  A1A0P 19  
A1A0P C20  C10 C 0 1 N N N N N N 170.335 159.000 158.606 5.398   -1.723 -0.521 C20  A1A0P 20  
A1A0P C21  C11 C 0 1 N N N N N N 171.305 158.464 157.579 6.245   -0.453 -0.627 C21  A1A0P 21  
A1A0P C22  C12 C 0 1 N N N N N N 170.709 157.373 156.723 7.718   -0.802 -0.404 C22  A1A0P 22  
A1A0P C23  C13 C 0 1 N N N N N N 171.555 157.006 155.527 8.564   0.468  -0.511 C23  A1A0P 23  
A1A0P C24  C14 C 0 1 N N N N N N 170.919 155.958 154.638 10.037  0.120  -0.287 C24  A1A0P 24  
A1A0P C25  C15 C 0 1 N N N N N N 170.844 156.348 153.177 10.884  1.390  -0.394 C25  A1A0P 25  
A1A0P C26  C16 C 0 1 N N N N N N 171.144 155.199 152.243 12.357  1.041  -0.170 C26  A1A0P 26  
A1A0P C27  C17 C 0 1 N N N N N N 170.826 155.484 150.793 13.203  2.311  -0.277 C27  A1A0P 27  
A1A0P C28  C18 C 0 1 N N N N N N 171.610 154.611 149.844 14.676  1.962  -0.054 C28  A1A0P 28  
A1A0P C29  C19 C 0 1 N N N N N N 171.530 155.012 148.385 15.523  3.232  -0.160 C29  A1A0P 29  
A1A0P C30  C20 C 0 1 N N N N N N 171.632 153.843 147.417 16.996  2.884  0.063  C30  A1A0P 30  
A1A0P C31  C21 C 0 1 N N N N N N 172.896 153.840 146.574 17.842  4.153  -0.044 C31  A1A0P 31  
A1A0P C32  C22 C 0 1 N N N N N N 172.933 154.898 145.485 19.315  3.805  0.180  C32  A1A0P 32  
A1A0P C33  C23 C 0 1 N N N N N N 173.705 154.475 144.242 20.162  5.075  0.073  C33  A1A0P 33  
A1A0P C34  C24 C 0 1 N N N N N N 171.960 155.602 159.722 -4.464  -1.476 -2.221 C34  A1A0P 34  
A1A0P C35  C25 C 0 1 N N N N N N 172.919 155.303 158.593 -5.459  -0.412 -1.756 C35  A1A0P 35  
A1A0P C36  C26 C 0 1 N N N N N N 172.396 154.266 157.631 -6.673  -0.408 -2.687 C36  A1A0P 36  
A1A0P C37  C27 C 0 1 N N N N N N 173.332 153.953 156.493 -7.669  0.657  -2.223 C37  A1A0P 37  
A1A0P C38  C28 C 0 1 N N N N N N 172.815 152.854 155.599 -8.883  0.661  -3.154 C38  A1A0P 38  
A1A0P C39  C29 C 0 1 N N N N N N 173.267 152.973 154.158 -9.878  1.726  -2.689 C39  A1A0P 39  
A1A0P C40  C30 C 0 1 N N N N N N 172.371 152.226 153.231 -11.074 1.730  -3.606 C40  A1A0P 40  
A1A0P C41  C31 C 0 1 N N N N N N 172.617 151.933 151.975 -12.282 1.635  -3.108 C41  A1A0P 41  
A1A0P C42  C32 C 0 1 N N N N N N 173.844 152.291 151.208 -12.489 1.693  -1.617 C42  A1A0P 42  
A1A0P C43  C33 C 0 1 N N N N N N 173.652 152.129 149.712 -13.517 2.776  -1.286 C43  A1A0P 43  
A1A0P C44  C34 C 0 1 N N N N N N 174.329 150.929 149.118 -13.727 2.835  0.228  C44  A1A0P 44  
A1A0P C45  C35 C 0 1 N N N N N N 174.108 150.830 147.633 -14.755 3.919  0.559  C45  A1A0P 45  
A1A0P C46  C36 C 0 1 N N N N N N 174.482 149.493 147.050 -14.965 3.977  2.074  C46  A1A0P 46  
A1A0P C47  C37 C 0 1 N N N N N N 174.651 149.544 145.553 -15.993 5.061  2.404  C47  A1A0P 47  
A1A0P C48  C38 C 0 1 N N N N N N 174.195 148.286 144.879 -16.203 5.120  3.919  C48  A1A0P 48  
A1A0P H2A  H1  H 0 1 N N N N N N 173.123 158.796 164.160 -0.732  -4.706 -1.556 H2A  A1A0P 49  
A1A0P H2B  H2  H 0 1 N N N N N N 171.459 158.138 164.009 0.070   -3.503 -2.595 H2B  A1A0P 50  
A1A0P H1   H3  H 0 1 N N N N N N 172.532 159.558 161.606 1.653   -4.633 -1.005 H1   A1A0P 51  
A1A0P H7A  H4  H 0 1 N N N N N N 172.596 154.644 161.532 -3.572  -1.704 -0.273 H7A  A1A0P 52  
A1A0P H7B  H5  H 0 1 N N N N N N 173.677 155.959 160.957 -2.771  -0.501 -1.312 H7B  A1A0P 53  
A1A0P H8B  H6  H 0 1 N N N N N N 173.194 160.943 163.708 0.123   -4.989 0.872  H8B  A1A0P 54  
A1A0P H8A  H7  H 0 1 N N N N N N 171.426 161.189 163.908 1.479   -3.971 1.412  H8A  A1A0P 55  
A1A0P H11B H8  H 0 0 N N N N N N 169.382 164.031 160.437 -3.176  -1.907 4.286  H11B A1A0P 56  
A1A0P H11A H9  H 0 0 N N N N N N 170.924 163.187 160.068 -1.715  -0.986 4.718  H11A A1A0P 57  
A1A0P H12A H10 H 0 0 N N N N N N 171.171 165.255 159.017 -3.632  0.536  4.659  H12A A1A0P 58  
A1A0P H12B H11 H 0 0 N N N N N N 170.371 166.142 160.359 -2.549  0.911  3.297  H12B A1A0P 59  
A1A0P H13A H12 H 0 0 N N N N N N 172.745 166.440 160.376 -4.945  -0.796 3.107  H13A A1A0P 60  
A1A0P H13C H13 H 0 0 N N N N N N 172.277 165.638 161.719 -4.848  0.785  2.599  H13C A1A0P 61  
A1A0P H2   H15 H 0 1 N N N N N N 172.969 164.255 164.245 -2.642  -4.265 2.239  H2   A1A0P 62  
A1A0P H19B H16 H 0 0 N N N N N N 171.656 158.507 160.220 3.802   -0.937 -1.735 H19B A1A0P 63  
A1A0P H19A H17 H 0 0 N N N N N N 171.601 160.253 159.799 3.603   -0.658 0.011  H19A A1A0P 64  
A1A0P H20B H18 H 0 0 N N N N N N 169.867 159.911 158.204 5.522   -2.160 0.470  H20B A1A0P 65  
A1A0P H20A H19 H 0 0 N N N N N N 169.561 158.239 158.788 5.721   -2.439 -1.276 H20A A1A0P 66  
A1A0P H21B H20 H 0 0 N N N N N N 172.183 158.059 158.103 6.121   -0.016 -1.618 H21B A1A0P 67  
A1A0P H21A H21 H 0 0 N N N N N N 171.618 159.292 156.926 5.922   0.263  0.128  H21A A1A0P 68  
A1A0P H22A H22 H 0 0 N N N N N N 169.727 157.713 156.362 7.841   -1.238 0.587  H22A A1A0P 69  
A1A0P H22B H23 H 0 0 N N N N N N 170.580 156.475 157.345 8.040   -1.518 -1.160 H22B A1A0P 70  
A1A0P H23A H24 H 0 0 N N N N N N 172.519 156.618 155.888 8.441   0.905  -1.502 H23A A1A0P 71  
A1A0P H23B H25 H 0 0 N N N N N N 171.725 157.913 154.929 8.242   1.185  0.245  H23B A1A0P 72  
A1A0P H24A H26 H 0 0 N N N N N N 169.896 155.773 154.999 10.161  -0.317 0.704  H24A A1A0P 73  
A1A0P H24B H27 H 0 0 N N N N N N 171.509 155.033 154.719 10.360  -0.597 -1.043 H24B A1A0P 74  
A1A0P H25A H28 H 0 0 N N N N N N 171.573 157.151 152.991 10.760  1.827  -1.385 H25A A1A0P 75  
A1A0P H25B H29 H 0 0 N N N N N N 169.830 156.717 152.964 10.561  2.106  0.362  H25B A1A0P 76  
A1A0P H26B H30 H 0 0 N N N N N N 170.550 154.330 152.563 12.480  0.604  0.821  H26B A1A0P 77  
A1A0P H26A H31 H 0 0 N N N N N N 172.215 154.960 152.321 12.679  0.325  -0.926 H26A A1A0P 78  
A1A0P H27B H32 H 0 0 N N N N N N 171.063 156.537 150.581 13.080  2.748  -1.268 H27B A1A0P 79  
A1A0P H27A H33 H 0 0 N N N N N N 169.753 155.309 150.627 12.881  3.027  0.479  H27A A1A0P 80  
A1A0P H28A H34 H 0 0 N N N N N N 171.231 153.582 149.936 14.800  1.525  0.937  H28A A1A0P 81  
A1A0P H28B H35 H 0 0 N N N N N N 172.667 154.641 150.148 14.999  1.246  -0.809 H28B A1A0P 82  
A1A0P H29B H36 H 0 0 N N N N N N 172.353 155.710 148.172 15.399  3.669  -1.151 H29B A1A0P 83  
A1A0P H29A H37 H 0 0 N N N N N N 170.568 155.517 148.217 15.200  3.948  0.595  H29A A1A0P 84  
A1A0P H30B H38 H 0 0 N N N N N N 170.766 153.879 146.740 17.119  2.447  1.054  H30B A1A0P 85  
A1A0P H30A H39 H 0 0 N N N N N N 171.603 152.910 147.999 17.318  2.167  -0.692 H30A A1A0P 86  
A1A0P H31B H40 H 0 0 N N N N N N 172.988 152.853 146.097 17.719  4.590  -1.035 H31B A1A0P 87  
A1A0P H31A H41 H 0 0 N N N N N N 173.754 154.005 147.242 17.520  4.870  0.712  H31A A1A0P 88  
A1A0P H32B H42 H 0 0 N N N N N N 173.406 155.802 145.896 19.439  3.368  1.171  H32B A1A0P 89  
A1A0P H32A H43 H 0 0 N N N N N N 171.899 155.127 145.189 19.638  3.089  -0.576 H32A A1A0P 90  
A1A0P H33A H44 H 0 0 N N N N N N 173.687 155.290 143.503 20.038  5.511  -0.918 H33A A1A0P 91  
A1A0P H33B H45 H 0 0 N N N N N N 174.747 154.252 144.516 19.839  5.791  0.829  H33B A1A0P 92  
A1A0P H33C H46 H 0 0 N N N N N N 173.239 153.577 143.809 21.211  4.826  0.233  H33C A1A0P 93  
A1A0P H34A H47 H 0 0 N N N N N N 171.490 156.578 159.531 -4.141  -1.253 -3.237 H34A A1A0P 94  
A1A0P H34B H48 H 0 0 N N N N N N 171.187 154.819 159.739 -4.942  -2.456 -2.198 H34B A1A0P 95  
A1A0P H35A H49 H 0 0 N N N N N N 173.863 154.937 159.023 -5.782  -0.635 -0.739 H35A A1A0P 96  
A1A0P H35B H50 H 0 0 N N N N N N 173.106 156.233 158.037 -4.981  0.567  -1.778 H35B A1A0P 97  
A1A0P H36A H51 H 0 0 N N N N N N 171.449 154.634 157.208 -6.350  -0.184 -3.704 H36A A1A0P 98  
A1A0P H36B H52 H 0 0 N N N N N N 172.211 153.338 158.191 -7.152  -1.387 -2.665 H36B A1A0P 99  
A1A0P H37A H53 H 0 0 N N N N N N 174.301 153.641 156.910 -7.992  0.433  -1.206 H37A A1A0P 100 
A1A0P H37B H54 H 0 0 N N N N N N 173.469 154.862 155.889 -7.190  1.636  -2.245 H37B A1A0P 101 
A1A0P H38A H55 H 0 0 N N N N N N 171.715 152.878 155.620 -8.560  0.885  -4.170 H38A A1A0P 102 
A1A0P H38B H56 H 0 0 N N N N N N 173.168 151.890 155.995 -9.361  -0.318 -3.131 H38B A1A0P 103 
A1A0P H39B H57 H 0 0 N N N N N N 174.286 152.569 154.070 -10.201 1.502  -1.672 H39B A1A0P 104 
A1A0P H39A H58 H 0 0 N N N N N N 173.268 154.035 153.872 -9.400  2.705  -2.711 H39A A1A0P 105 
A1A0P H40  H59 H 0 1 N N N N N N 171.425 151.892 153.632 -10.935 1.811  -4.674 H40  A1A0P 106 
A1A0P H41  H60 H 0 1 N N N N N N 171.856 151.378 151.446 -13.130 1.515  -3.767 H41  A1A0P 107 
A1A0P H42B H61 H 0 0 N N N N N N 174.668 151.638 151.532 -12.851 0.728  -1.262 H42B A1A0P 108 
A1A0P H42A H62 H 0 0 N N N N N N 174.102 153.339 151.421 -11.543 1.927  -1.128 H42A A1A0P 109 
A1A0P H43A H63 H 0 0 N N N N N N 174.050 153.027 149.217 -13.154 3.741  -1.640 H43A A1A0P 110 
A1A0P H43B H64 H 0 0 N N N N N N 172.573 152.048 149.512 -14.462 2.542  -1.775 H43B A1A0P 111 
A1A0P H44B H65 H 0 0 N N N N N N 173.929 150.023 149.597 -14.089 1.870  0.583  H44B A1A0P 112 
A1A0P H44A H66 H 0 0 N N N N N N 175.410 151.000 149.312 -12.781 3.070  0.717  H44A A1A0P 113 
A1A0P H45A H67 H 0 0 N N N N N N 174.714 151.605 147.140 -14.392 4.884  0.205  H45A A1A0P 114 
A1A0P H45B H68 H 0 0 N N N N N N 173.043 151.012 147.428 -15.700 3.684  0.070  H45B A1A0P 115 
A1A0P H46A H69 H 0 0 N N N N N N 173.690 148.769 147.291 -15.327 3.013  2.428  H46A A1A0P 116 
A1A0P H46B H70 H 0 0 N N N N N N 175.430 149.164 147.501 -14.019 4.212  2.563  H46B A1A0P 117 
A1A0P H47B H71 H 0 0 N N N N N N 175.715 149.701 145.324 -15.630 6.026  2.050  H47B A1A0P 118 
A1A0P H47A H72 H 0 0 N N N N N N 174.063 150.387 145.161 -16.938 4.826  1.915  H47A A1A0P 119 
A1A0P H48A H73 H 0 0 N N N N N N 174.341 148.378 143.793 -16.935 5.892  4.155  H48A A1A0P 120 
A1A0P H48C H74 H 0 0 N N N N N N 174.781 147.435 145.256 -16.565 4.155  4.273  H48C A1A0P 121 
A1A0P H48B H75 H 0 0 N N N N N N 173.129 148.121 145.093 -15.257 5.355  4.408  H48B A1A0P 122 
# 
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 
A1A0P C33 C32  SING N N 1   
A1A0P C48 C47  SING N N 2   
A1A0P C32 C31  SING N N 3   
A1A0P C47 C46  SING N N 4   
A1A0P C31 C30  SING N N 5   
A1A0P C46 C45  SING N N 6   
A1A0P C30 C29  SING N N 7   
A1A0P C45 C44  SING N N 8   
A1A0P C29 C28  SING N N 9   
A1A0P C44 C43  SING N N 10  
A1A0P C43 C42  SING N N 11  
A1A0P C28 C27  SING N N 12  
A1A0P C27 C26  SING N N 13  
A1A0P C42 C41  SING N N 14  
A1A0P C41 C40  DOUB N Z 15  
A1A0P C26 C25  SING N N 16  
A1A0P C25 C24  SING N N 17  
A1A0P C40 C39  SING N N 18  
A1A0P C39 C38  SING N N 19  
A1A0P C24 C23  SING N N 20  
A1A0P C23 C22  SING N N 21  
A1A0P C38 C37  SING N N 22  
A1A0P C37 C36  SING N N 23  
A1A0P C22 C21  SING N N 24  
A1A0P C21 C20  SING N N 25  
A1A0P C36 C35  SING N N 26  
A1A0P C35 C34  SING N N 27  
A1A0P C20 C19  SING N N 28  
A1A0P C34 C7   SING N N 29  
A1A0P C19 C17  SING N N 30  
A1A0P C12 C11  SING N N 31  
A1A0P C12 N13  SING N N 32  
A1A0P C11 O10  SING N N 33  
A1A0P O18 C17  DOUB N N 34  
A1A0P C17 O6   SING N N 35  
A1A0P C7  C4   SING N N 36  
A1A0P O16 P14  DOUB N N 37  
A1A0P C4  O5   DOUB N N 38  
A1A0P C4  O3   SING N N 39  
A1A0P O10 P14  SING N N 40  
A1A0P O9  P14  SING N N 41  
A1A0P O9  C8   SING N N 42  
A1A0P O6  C1   SING N N 43  
A1A0P P14 O15  SING N N 44  
A1A0P C1  C8   SING N N 45  
A1A0P C1  C2   SING N N 46  
A1A0P O3  C2   SING N N 47  
A1A0P C2  H2A  SING N N 48  
A1A0P C2  H2B  SING N N 49  
A1A0P C1  H1   SING N N 50  
A1A0P C7  H7A  SING N N 51  
A1A0P C7  H7B  SING N N 52  
A1A0P C8  H8B  SING N N 53  
A1A0P C8  H8A  SING N N 54  
A1A0P C11 H11B SING N N 55  
A1A0P C11 H11A SING N N 56  
A1A0P C12 H12A SING N N 57  
A1A0P C12 H12B SING N N 58  
A1A0P N13 H13A SING N N 59  
A1A0P N13 H13C SING N N 60  
A1A0P O15 H2   SING N N 61  
A1A0P C19 H19B SING N N 62  
A1A0P C19 H19A SING N N 63  
A1A0P C20 H20B SING N N 64  
A1A0P C20 H20A SING N N 65  
A1A0P C21 H21B SING N N 66  
A1A0P C21 H21A SING N N 67  
A1A0P C22 H22A SING N N 68  
A1A0P C22 H22B SING N N 69  
A1A0P C23 H23A SING N N 70  
A1A0P C23 H23B SING N N 71  
A1A0P C24 H24A SING N N 72  
A1A0P C24 H24B SING N N 73  
A1A0P C25 H25A SING N N 74  
A1A0P C25 H25B SING N N 75  
A1A0P C26 H26B SING N N 76  
A1A0P C26 H26A SING N N 77  
A1A0P C27 H27B SING N N 78  
A1A0P C27 H27A SING N N 79  
A1A0P C28 H28A SING N N 80  
A1A0P C28 H28B SING N N 81  
A1A0P C29 H29B SING N N 82  
A1A0P C29 H29A SING N N 83  
A1A0P C30 H30B SING N N 84  
A1A0P C30 H30A SING N N 85  
A1A0P C31 H31B SING N N 86  
A1A0P C31 H31A SING N N 87  
A1A0P C32 H32B SING N N 88  
A1A0P C32 H32A SING N N 89  
A1A0P C33 H33A SING N N 90  
A1A0P C33 H33B SING N N 91  
A1A0P C33 H33C SING N N 92  
A1A0P C34 H34A SING N N 93  
A1A0P C34 H34B SING N N 94  
A1A0P C35 H35A SING N N 95  
A1A0P C35 H35B SING N N 96  
A1A0P C36 H36A SING N N 97  
A1A0P C36 H36B SING N N 98  
A1A0P C37 H37A SING N N 99  
A1A0P C37 H37B SING N N 100 
A1A0P C38 H38A SING N N 101 
A1A0P C38 H38B SING N N 102 
A1A0P C39 H39B SING N N 103 
A1A0P C39 H39A SING N N 104 
A1A0P C40 H40  SING N N 105 
A1A0P C41 H41  SING N N 106 
A1A0P C42 H42B SING N N 107 
A1A0P C42 H42A SING N N 108 
A1A0P C43 H43A SING N N 109 
A1A0P C43 H43B SING N N 110 
A1A0P C44 H44B SING N N 111 
A1A0P C44 H44A SING N N 112 
A1A0P C45 H45A SING N N 113 
A1A0P C45 H45B SING N N 114 
A1A0P C46 H46A SING N N 115 
A1A0P C46 H46B SING N N 116 
A1A0P C47 H47B SING N N 117 
A1A0P C47 H47A SING N N 118 
A1A0P C48 H48A SING N N 119 
A1A0P C48 H48C SING N N 120 
A1A0P C48 H48B SING N N 121 
# 
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 
A1A0P SMILES           ACDLabs              12.01 "NCCOP(O)(=O)OCC(COC(=O)CCCCCCC/C=C\CCCCCCC)OC(=O)CCCCCCCCCCCCCCC"                                                                                                                                                             
A1A0P InChI            InChI                1.06  "InChI=1S/C38H74NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-37(40)44-34-36(35-46-48(42,43)45-33-32-39)47-38(41)31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h15,17,36H,3-14,16,18-35,39H2,1-2H3,(H,42,43)/b17-15-/t36-/m1/s1" 
A1A0P InChIKey         InChI                1.06  STZSQXAKBIOPFK-HZVSPZAISA-N                                                                                                                                                                                                    
A1A0P SMILES_CANONICAL CACTVS               3.385 "CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCC)CO[P](O)(=O)OCCN"                                                                                                                                                       
A1A0P SMILES           CACTVS               3.385 "CCCCCCCCCCCCCCCC(=O)O[CH](COC(=O)CCCCCCCC=CCCCCCCC)CO[P](O)(=O)OCCN"                                                                                                                                                          
A1A0P SMILES_CANONICAL "OpenEye OEToolkits" 2.0.7 "CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCCC)COP(=O)(O)OCCN"                                                                                                                                                         
A1A0P SMILES           "OpenEye OEToolkits" 2.0.7 "CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCC=CCCCCCCC)COP(=O)(O)OCCN"                                                                                                                                                               
# 
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 
A1A0P "SYSTEMATIC NAME" ACDLabs              12.01 "(2R)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(hexadecanoyloxy)propyl (9Z)-heptadec-9-enoate" 
A1A0P "SYSTEMATIC NAME" "OpenEye OEToolkits" 2.0.7 "[(2~{R})-3-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-2-hexadecanoyloxy-propyl] (~{Z})-heptadec-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 
A1A0P "Create component" 2024-08-01 RCSB 
A1A0P "Initial release"  2025-01-08 RCSB 
# 
