data_A1L2F
# 
_chem_comp.id                                    A1L2F 
_chem_comp.name                                  "[(2~{R})-1-octadecanoyloxy-3-[oxidanyl-[(2~{R},3~{S},5~{R},6~{R})-2,3,5,6-tetrakis(oxidanyl)-4-phosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propan-2-yl] nonadecanoate" 
_chem_comp.type                                  non-polymer 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C46 H90 O16 P2" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2024-06-13 
_chem_comp.pdbx_modified_date                    2025-03-07 
_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                        961.145 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     A1L2F 
_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        8ZTJ 
_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 
A1L2F C10  C1  C 0 1 N N N N N N 100.240 110.429 123.522 10.711  -3.027 -1.534 C10  A1L2F 1   
A1L2F C13  C2  C 0 1 N N N N N N 102.941 111.607 124.535 7.199   -1.452 -1.467 C13  A1L2F 2   
A1L2F C15  C3  C 0 1 N N N N N N 104.586 112.190 126.362 4.958   -0.481 -1.997 C15  A1L2F 3   
A1L2F C17  C4  C 0 1 N N N N N N 106.092 111.400 128.234 2.718   0.490  -2.527 C17  A1L2F 4   
A1L2F C21  C5  C 0 1 N N N N N N 106.340 108.518 127.592 -0.292  1.723  -4.467 C21  A1L2F 5   
A1L2F C02  C6  C 0 1 N N N N N N 93.377  115.313 122.563 19.672  -6.911 0.586  C02  A1L2F 6   
A1L2F C04  C7  C 0 1 N N N N N N 94.472  113.302 121.478 17.432  -5.940 0.056  C04  A1L2F 7   
A1L2F C06  C8  C 0 1 N N N N N N 96.945  113.001 121.849 15.192  -4.969 -0.474 C06  A1L2F 8   
A1L2F C08  C9  C 0 1 N N N N N N 98.475  111.011 121.800 12.952  -3.998 -1.004 C08  A1L2F 9   
A1L2F C11  C10 C 0 1 N N N N N N 101.384 110.935 122.658 9.439   -2.422 -0.937 C11  A1L2F 10  
A1L2F C12  C11 C 0 1 N N N N N N 102.740 110.715 123.319 8.471   -2.056 -2.064 C12  A1L2F 11  
A1L2F C16  C12 C 0 1 N N N N N N 106.020 111.939 126.811 3.991   -0.114 -3.124 C16  A1L2F 12  
A1L2F C18  C13 C 0 1 N N N N N N 107.314 110.504 128.432 1.765   0.851  -3.638 C18  A1L2F 13  
A1L2F C23  C14 C 0 1 N N N N N N 106.302 108.114 125.132 -1.270  3.539  -3.058 C23  A1L2F 14  
A1L2F C01  C15 C 0 1 N N N N N N 93.128  116.008 123.897 20.640  -7.277 1.713  C01  A1L2F 15  
A1L2F C03  C16 C 0 1 N N N N N N 93.819  113.862 122.738 18.400  -6.306 1.183  C03  A1L2F 16  
A1L2F C05  C17 C 0 1 N N N N N N 95.587  112.319 121.806 16.160  -5.335 0.653  C05  A1L2F 17  
A1L2F C07  C18 C 0 1 N N N N N N 97.962  112.179 122.621 13.919  -4.364 0.123  C07  A1L2F 18  
A1L2F C09  C19 C 0 1 N N N N N N 99.076  109.924 122.679 11.679  -3.393 -0.407 C09  A1L2F 19  
A1L2F C14  C20 C 0 1 N N N N N N 104.114 111.129 125.378 6.231   -1.085 -2.594 C14  A1L2F 20  
A1L2F C22  C21 C 0 1 N N R N N N 106.595 107.485 126.494 -1.593  2.336  -3.945 C22  A1L2F 21  
A1L2F C29  C22 C 0 1 N N N N N N 109.582 110.244 122.018 2.017   4.060  1.040  C29  A1L2F 22  
A1L2F C30  C23 C 0 1 N N R N N N 110.901 109.517 122.243 1.724   3.408  2.393  C30  A1L2F 23  
A1L2F C31  C24 C 0 1 N N R N N N 112.064 110.407 121.772 2.528   4.116  3.485  C31  A1L2F 24  
A1L2F C32  C25 C 0 1 N N N N N N 112.007 110.657 120.259 4.022   3.998  3.176  C32  A1L2F 25  
A1L2F C33  C26 C 0 1 N N S N N N 110.629 110.358 119.654 4.315   4.650  1.823  C33  A1L2F 26  
A1L2F C34  C27 C 0 1 N N R N N N 109.456 110.757 120.578 3.510   3.942  0.731  C34  A1L2F 27  
A1L2F C45  C28 C 0 1 N N N N N N 104.438 106.613 126.994 -3.657  1.439  -3.160 C45  A1L2F 28  
A1L2F C47  C29 C 0 1 N N N N N N 103.913 106.275 128.387 -4.477  0.445  -2.378 C47  A1L2F 29  
A1L2F C48  C30 C 0 1 N N N N N N 102.443 106.640 128.580 -5.962  0.775  -2.533 C48  A1L2F 30  
A1L2F C49  C31 C 0 1 N N N N N N 101.833 105.938 129.783 -6.794  -0.234 -1.739 C49  A1L2F 31  
A1L2F C50  C32 C 0 1 N N N N N N 100.394 106.417 129.981 -8.281  0.096  -1.895 C50  A1L2F 32  
A1L2F C51  C33 C 0 1 N N N N N N 99.389  105.283 129.828 -9.113  -0.913 -1.100 C51  A1L2F 33  
A1L2F C52  C34 C 0 1 N N N N N N 97.987  105.754 129.473 -10.599 -0.583 -1.256 C52  A1L2F 34  
A1L2F C53  C35 C 0 1 N N N N N N 97.059  104.566 129.265 -11.431 -1.592 -0.462 C53  A1L2F 35  
A1L2F C54  C36 C 0 1 N N N N N N 95.643  104.841 129.751 -12.917 -1.262 -0.617 C54  A1L2F 36  
A1L2F C55  C37 C 0 1 N N N N N N 94.619  103.962 129.041 -13.749 -2.271 0.177  C55  A1L2F 37  
A1L2F C56  C38 C 0 1 N N N N N N 93.786  103.146 130.016 -15.234 -1.941 0.022  C56  A1L2F 38  
A1L2F C57  C39 C 0 1 N N N N N N 93.272  101.868 129.372 -16.067 -2.950 0.816  C57  A1L2F 39  
A1L2F C58  C40 C 0 1 N N N N N N 92.262  101.158 130.262 -17.553 -2.620 0.661  C58  A1L2F 40  
A1L2F C59  C41 C 0 1 N N N N N N 90.899  101.017 129.594 -18.385 -3.629 1.455  C59  A1L2F 41  
A1L2F C60  C42 C 0 1 N N N N N N 90.182  99.748  130.030 -19.871 -3.299 1.300  C60  A1L2F 42  
A1L2F C61  C43 C 0 1 N N N N N N 90.758  98.511  129.355 -20.703 -4.308 2.094  C61  A1L2F 43  
A1L2F C62  C44 C 0 1 N N N N N N 90.845  97.327  130.309 -22.189 -3.978 1.939  C62  A1L2F 44  
A1L2F C63  C45 C 0 1 N N N N N N 92.030  97.442  131.260 -23.021 -4.987 2.733  C63  A1L2F 45  
A1L2F C64  C46 C 0 1 N N N N N N 92.001  96.362  132.336 -24.507 -4.657 2.577  C64  A1L2F 46  
A1L2F O19  O1  O 0 1 N N N N N N 108.141 110.816 129.216 2.072   0.646  -4.788 O19  A1L2F 47  
A1L2F O20  O2  O 0 1 N N N N N N 107.476 109.330 127.689 0.575   1.401  -3.348 O20  A1L2F 48  
A1L2F O24  O3  O 0 1 N N N N N N 107.434 108.824 124.716 -0.371  3.139  -2.021 O24  A1L2F 49  
A1L2F O26  O4  O 0 1 N N N N N N 106.000 109.527 122.706 0.820   5.316  -1.559 O26  A1L2F 50  
A1L2F O27  O5  O 0 1 N N N N N N 107.438 111.224 123.774 -1.040  4.662  0.016  O27  A1L2F 51  
A1L2F O28  O6  O 0 1 N N N N N N 108.524 109.373 122.301 1.265   3.398  0.020  O28  A1L2F 52  
A1L2F O35  O7  O 0 1 N N N N N N 108.276 110.233 120.023 3.880   2.563  0.685  O35  A1L2F 53  
A1L2F O36  O8  O 0 1 N N N N N N 110.541 108.981 119.369 5.710   4.540  1.533  O36  A1L2F 54  
A1L2F O37  O9  O 0 1 N N N N N N 112.967 109.875 119.602 4.392   2.619  3.130  O37  A1L2F 55  
A1L2F O39  O10 O 0 1 N N N N N N 114.742 109.748 117.708 5.752   0.440  3.692  O39  A1L2F 56  
A1L2F O40  O11 O 0 1 N N N N N N 112.370 109.534 117.107 6.760   2.734  3.995  O40  A1L2F 57  
A1L2F O41  O12 O 0 1 N N N N N N 113.265 111.712 117.827 4.967   2.036  5.628  O41  A1L2F 58  
A1L2F O42  O13 O 0 1 N N N N N N 113.291 109.802 122.101 2.254   3.507  4.749  O42  A1L2F 59  
A1L2F O43  O14 O 0 1 N N N N N N 111.030 109.225 123.609 0.328   3.517  2.682  O43  A1L2F 60  
A1L2F O44  O15 O 0 1 N N N N N N 105.778 106.362 126.684 -2.318  1.344  -3.170 O44  A1L2F 61  
A1L2F O46  O16 O 0 1 N N N N N N 103.713 107.076 126.180 -4.205  2.320  -3.779 O46  A1L2F 62  
A1L2F P25  P1  P 0 1 N N N N N N 107.331 109.774 123.370 0.182   4.154  -0.900 P25  A1L2F 63  
A1L2F P38  P2  P 0 1 N N N N N N 113.345 110.219 118.032 5.495   1.974  4.109  P38  A1L2F 64  
A1L2F H101 H1  H 0 0 N N N N N N 100.607 109.606 124.152 10.457  -3.923 -2.100 H101 A1L2F 65  
A1L2F H102 H2  H 0 0 N N N N N N 99.886  111.251 124.162 11.183  -2.300 -2.196 H102 A1L2F 66  
A1L2F H131 H3  H 0 0 N N N N N N 103.137 112.635 124.198 6.727   -2.178 -0.805 H131 A1L2F 67  
A1L2F H132 H4  H 0 0 N N N N N N 102.028 111.590 125.148 7.453   -0.555 -0.901 H132 A1L2F 68  
A1L2F H151 H5  H 0 0 N N N N N N 104.531 113.176 125.878 5.213   0.415  -1.431 H151 A1L2F 69  
A1L2F H152 H6  H 0 0 N N N N N N 103.928 112.177 127.244 4.487   -1.207 -1.336 H152 A1L2F 70  
A1L2F H171 H7  H 0 0 N N N N N N 106.152 112.246 128.934 2.247   -0.236 -1.866 H171 A1L2F 71  
A1L2F H172 H8  H 0 0 N N N N N N 105.183 110.816 128.442 2.973   1.386  -1.961 H172 A1L2F 72  
A1L2F H212 H9  H 0 0 N N N N N N 105.464 109.130 127.333 -0.517  0.814  -5.026 H212 A1L2F 73  
A1L2F H211 H10 H 0 0 N N N N N N 106.161 108.009 128.550 0.209   2.437  -5.121 H211 A1L2F 74  
A1L2F H022 H11 H 0 0 N N N N N N 94.163  115.859 122.021 20.144  -6.184 -0.076 H022 A1L2F 75  
A1L2F H021 H12 H 0 0 N N N N N N 92.447  115.331 121.976 19.418  -7.806 0.020  H021 A1L2F 76  
A1L2F H041 H13 H 0 0 N N N N N N 94.892  114.135 120.895 17.904  -5.213 -0.606 H041 A1L2F 77  
A1L2F H042 H14 H 0 0 N N N N N N 93.707  112.785 120.880 17.178  -6.836 -0.510 H042 A1L2F 78  
A1L2F H061 H15 H 0 0 N N N N N N 97.307  113.140 120.820 15.663  -4.242 -1.136 H061 A1L2F 79  
A1L2F H062 H16 H 0 0 N N N N N N 96.836  113.982 122.335 14.938  -5.865 -1.040 H062 A1L2F 80  
A1L2F H081 H17 H 0 0 N N N N N N 97.639  110.584 121.227 13.423  -3.271 -1.666 H081 A1L2F 81  
A1L2F H082 H18 H 0 0 N N N N N N 99.247  111.375 121.106 12.697  -4.894 -1.570 H082 A1L2F 82  
A1L2F H111 H19 H 0 0 N N N N N N 101.246 112.012 122.481 8.967   -3.149 -0.275 H111 A1L2F 83  
A1L2F H112 H20 H 0 0 N N N N N N 101.367 110.400 121.697 9.693   -1.526 -0.371 H112 A1L2F 84  
A1L2F H122 H21 H 0 0 N N N N N N 102.813 109.664 123.635 8.217   -2.952 -2.631 H122 A1L2F 85  
A1L2F H121 H22 H 0 0 N N N N N N 103.530 110.933 122.586 8.943   -1.329 -2.726 H121 A1L2F 86  
A1L2F H162 H23 H 0 0 N N N N N N 106.481 111.207 126.131 4.462   0.613  -3.786 H162 A1L2F 87  
A1L2F H161 H24 H 0 0 N N N N N N 106.577 112.886 126.762 3.736   -1.010 -3.691 H161 A1L2F 88  
A1L2F H232 H25 H 0 0 N N N N N N 105.445 108.799 125.216 -0.805  4.320  -3.660 H232 A1L2F 89  
A1L2F H231 H26 H 0 0 N N N N N N 106.070 107.325 124.401 -2.189  3.922  -2.615 H231 A1L2F 90  
A1L2F H012 H27 H 0 0 N N N N N N 92.813  117.046 123.717 20.894  -6.381 2.280  H012 A1L2F 91  
A1L2F H013 H28 H 0 0 N N N N N N 92.338  115.475 124.446 20.169  -8.004 2.375  H013 A1L2F 92  
A1L2F H011 H29 H 0 0 N N N N N N 94.054  116.004 124.491 21.547  -7.708 1.288  H011 A1L2F 93  
A1L2F H031 H30 H 0 0 N N N N N N 92.938  113.250 122.982 17.928  -7.033 1.845  H031 A1L2F 94  
A1L2F H032 H31 H 0 0 N N N N N N 94.542  113.809 123.565 18.654  -5.410 1.749  H032 A1L2F 95  
A1L2F H052 H32 H 0 0 N N N N N N 95.385  111.866 122.788 15.688  -6.062 1.315  H052 A1L2F 96  
A1L2F H051 H33 H 0 0 N N N N N N 95.607  111.533 121.036 16.414  -4.439 1.219  H051 A1L2F 97  
A1L2F H071 H34 H 0 0 N N N N N N 97.488  111.792 123.535 13.448  -5.091 0.785  H071 A1L2F 98  
A1L2F H072 H35 H 0 0 N N N N N N 98.810  112.824 122.893 14.174  -3.468 0.689  H072 A1L2F 99  
A1L2F H092 H36 H 0 0 N N N N N N 98.294  109.542 123.351 11.933  -2.497 0.159  H092 A1L2F 100 
A1L2F H091 H37 H 0 0 N N N N N N 99.436  109.108 122.034 11.208  -4.120 0.255  H091 A1L2F 101 
A1L2F H141 H38 H 0 0 N N N N N N 103.805 110.236 125.941 6.702   -0.358 -3.256 H141 A1L2F 102 
A1L2F H142 H39 H 0 0 N N N N N N 104.948 110.870 124.709 5.977   -1.981 -3.161 H142 A1L2F 103 
A1L2F H221 H40 H 0 0 N N N N N N 107.656 107.195 126.525 -2.206  2.659  -4.786 H221 A1L2F 104 
A1L2F H291 H41 H 0 0 N N N N N N 109.546 111.111 122.695 1.734   5.112  1.075  H291 A1L2F 105 
A1L2F H301 H42 H 0 0 N N N N N N 110.903 108.591 121.649 2.006   2.355  2.358  H301 A1L2F 106 
A1L2F H311 H43 H 0 0 N N N N N N 111.979 111.378 122.282 2.246   5.168  3.520  H311 A1L2F 107 
A1L2F H321 H44 H 0 0 N N N N N N 112.223 111.722 120.088 4.595   4.503  3.954  H321 A1L2F 108 
A1L2F H331 H45 H 0 0 N N N N N N 110.535 110.935 118.722 4.033   5.702  1.858  H331 A1L2F 109 
A1L2F H341 H46 H 0 0 N N N N N N 109.402 111.855 120.607 3.719   4.406  -0.233 H341 A1L2F 110 
A1L2F H472 H47 H 0 0 N N N N N N 104.029 105.194 128.552 -4.286  -0.560 -2.755 H472 A1L2F 111 
A1L2F H471 H48 H 0 0 N N N N N N 104.510 106.825 129.129 -4.201  0.496  -1.325 H471 A1L2F 112 
A1L2F H482 H49 H 0 0 N N N N N N 102.364 107.727 128.726 -6.153  1.780  -2.156 H482 A1L2F 113 
A1L2F H481 H50 H 0 0 N N N N N N 101.884 106.349 127.678 -6.238  0.724  -3.587 H481 A1L2F 114 
A1L2F H492 H51 H 0 0 N N N N N N 101.837 104.851 129.614 -6.604  -1.239 -2.116 H492 A1L2F 115 
A1L2F H491 H52 H 0 0 N N N N N N 102.423 106.171 130.681 -6.519  -0.183 -0.686 H491 A1L2F 116 
A1L2F H502 H53 H 0 0 N N N N N N 100.297 106.843 130.990 -8.471  1.101  -1.518 H502 A1L2F 117 
A1L2F H501 H54 H 0 0 N N N N N N 100.172 107.192 129.233 -8.556  0.045  -2.948 H501 A1L2F 118 
A1L2F H512 H55 H 0 0 N N N N N N 99.340  104.731 130.778 -8.922  -1.918 -1.477 H512 A1L2F 119 
A1L2F H511 H56 H 0 0 N N N N N N 99.742  104.611 129.032 -8.837  -0.862 -0.047 H511 A1L2F 120 
A1L2F H521 H57 H 0 0 N N N N N N 98.028  106.347 128.547 -10.789 0.422  -0.879 H521 A1L2F 121 
A1L2F H522 H58 H 0 0 N N N N N N 97.597  106.378 130.291 -10.874 -0.634 -2.309 H522 A1L2F 122 
A1L2F H531 H59 H 0 0 N N N N N N 97.024  104.329 128.191 -11.240 -2.597 -0.839 H531 A1L2F 123 
A1L2F H532 H60 H 0 0 N N N N N N 97.460  103.704 129.817 -11.155 -1.541 0.592  H532 A1L2F 124 
A1L2F H542 H61 H 0 0 N N N N N N 95.400  105.897 129.560 -13.107 -0.257 -0.240 H542 A1L2F 125 
A1L2F H541 H62 H 0 0 N N N N N N 95.593  104.643 130.832 -13.192 -1.313 -1.670 H541 A1L2F 126 
A1L2F H552 H63 H 0 0 N N N N N N 93.947  104.605 128.454 -13.558 -3.276 -0.200 H552 A1L2F 127 
A1L2F H551 H64 H 0 0 N N N N N N 95.150  103.274 128.367 -13.473 -2.220 1.231  H551 A1L2F 128 
A1L2F H562 H65 H 0 0 N N N N N N 94.407  102.884 130.885 -15.425 -0.936 0.399  H562 A1L2F 129 
A1L2F H561 H66 H 0 0 N N N N N N 92.928  103.750 130.347 -15.510 -1.992 -1.031 H561 A1L2F 130 
A1L2F H572 H67 H 0 0 N N N N N N 92.790  102.119 128.416 -15.876 -3.955 0.439  H572 A1L2F 131 
A1L2F H571 H68 H 0 0 N N N N N N 94.122  101.194 129.189 -15.791 -2.899 1.870  H571 A1L2F 132 
A1L2F H582 H69 H 0 0 N N N N N N 92.645  100.155 130.500 -17.743 -1.615 1.038  H582 A1L2F 133 
A1L2F H581 H70 H 0 0 N N N N N N 92.142  101.735 131.191 -17.828 -2.671 -0.393 H581 A1L2F 134 
A1L2F H592 H71 H 0 0 N N N N N N 91.039  100.990 128.503 -18.194 -4.634 1.078  H592 A1L2F 135 
A1L2F H591 H72 H 0 0 N N N N N N 90.280  101.886 129.863 -18.109 -3.578 2.508  H591 A1L2F 136 
A1L2F H601 H73 H 0 0 N N N N N N 89.117  99.833  129.768 -20.061 -2.294 1.677  H601 A1L2F 137 
A1L2F H602 H74 H 0 0 N N N N N N 90.284  99.638  131.120 -20.146 -3.350 0.246  H602 A1L2F 138 
A1L2F H611 H75 H 0 0 N N N N N N 90.113  98.237  128.507 -20.512 -5.313 1.717  H611 A1L2F 139 
A1L2F H612 H76 H 0 0 N N N N N N 91.768  98.745  128.987 -20.427 -4.257 3.147  H612 A1L2F 140 
A1L2F H621 H77 H 0 0 N N N N N N 89.919  97.280  130.901 -22.379 -2.973 2.316  H621 A1L2F 141 
A1L2F H622 H78 H 0 0 N N N N N N 90.951  96.404  129.720 -22.464 -4.029 0.885  H622 A1L2F 142 
A1L2F H631 H79 H 0 0 N N N N N N 92.961  97.344  130.682 -22.830 -5.992 2.356  H631 A1L2F 143 
A1L2F H632 H80 H 0 0 N N N N N N 92.002  98.429  131.745 -22.745 -4.936 3.786  H632 A1L2F 144 
A1L2F H642 H81 H 0 0 N N N N N N 92.871  96.481  132.999 -25.099 -5.376 3.143  H642 A1L2F 145 
A1L2F H643 H82 H 0 0 N N N N N N 91.076  96.455  132.924 -24.697 -3.652 2.954  H643 A1L2F 146 
A1L2F H641 H83 H 0 0 N N N N N N 92.035  95.370  131.861 -24.782 -4.708 1.524  H641 A1L2F 147 
A1L2F H1   H84 H 0 1 N N N N N N 106.643 111.682 123.526 -1.506  3.952  0.479  H1   A1L2F 148 
A1L2F H351 H85 H 0 0 N N N N N N 107.537 110.464 120.573 4.816   2.412  0.493  H351 A1L2F 149 
A1L2F H361 H86 H 0 0 N N N N N N 111.072 108.780 118.607 5.969   4.933  0.688  H361 A1L2F 150 
A1L2F H2   H87 H 0 1 N N N N N N 114.708 109.123 116.993 6.407   -0.012 4.241  H2   A1L2F 151 
A1L2F H3   H88 H 0 1 N N N N N N 112.618 111.906 117.159 4.140   1.558  5.777  H3   A1L2F 152 
A1L2F H421 H89 H 0 0 N N N N N N 113.327 109.647 123.038 1.324   3.544  5.010  H421 A1L2F 153 
A1L2F H431 H90 H 0 0 N N N N N N 110.306 108.676 123.886 0.070   3.124  3.527  H431 A1L2F 154 
# 
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 
A1L2F O40 P38  DOUB N N 1   
A1L2F O39 P38  SING N N 2   
A1L2F O41 P38  SING N N 3   
A1L2F P38 O37  SING N N 4   
A1L2F O36 C33  SING N N 5   
A1L2F O37 C32  SING N N 6   
A1L2F C33 C32  SING N N 7   
A1L2F C33 C34  SING N N 8   
A1L2F O35 C34  SING N N 9   
A1L2F C32 C31  SING N N 10  
A1L2F C34 C29  SING N N 11  
A1L2F C04 C05  SING N N 12  
A1L2F C04 C03  SING N N 13  
A1L2F C31 O42  SING N N 14  
A1L2F C31 C30  SING N N 15  
A1L2F C08 C07  SING N N 16  
A1L2F C08 C09  SING N N 17  
A1L2F C05 C06  SING N N 18  
A1L2F C06 C07  SING N N 19  
A1L2F C29 C30  SING N N 20  
A1L2F C29 O28  SING N N 21  
A1L2F C30 O43  SING N N 22  
A1L2F O28 P25  SING N N 23  
A1L2F C02 C03  SING N N 24  
A1L2F C02 C01  SING N N 25  
A1L2F C11 C12  SING N N 26  
A1L2F C11 C10  SING N N 27  
A1L2F C09 C10  SING N N 28  
A1L2F O26 P25  DOUB N N 29  
A1L2F C12 C13  SING N N 30  
A1L2F P25 O27  SING N N 31  
A1L2F P25 O24  SING N N 32  
A1L2F C13 C14  SING N N 33  
A1L2F O24 C23  SING N N 34  
A1L2F C23 C22  SING N N 35  
A1L2F C14 C15  SING N N 36  
A1L2F O46 C45  DOUB N N 37  
A1L2F C15 C16  SING N N 38  
A1L2F C22 O44  SING N N 39  
A1L2F C22 C21  SING N N 40  
A1L2F O44 C45  SING N N 41  
A1L2F C16 C17  SING N N 42  
A1L2F C45 C47  SING N N 43  
A1L2F C21 O20  SING N N 44  
A1L2F O20 C18  SING N N 45  
A1L2F C17 C18  SING N N 46  
A1L2F C47 C48  SING N N 47  
A1L2F C18 O19  DOUB N N 48  
A1L2F C48 C49  SING N N 49  
A1L2F C55 C54  SING N N 50  
A1L2F C55 C56  SING N N 51  
A1L2F C53 C52  SING N N 52  
A1L2F C53 C54  SING N N 53  
A1L2F C61 C60  SING N N 54  
A1L2F C61 C62  SING N N 55  
A1L2F C57 C56  SING N N 56  
A1L2F C57 C58  SING N N 57  
A1L2F C52 C51  SING N N 58  
A1L2F C59 C60  SING N N 59  
A1L2F C59 C58  SING N N 60  
A1L2F C49 C50  SING N N 61  
A1L2F C51 C50  SING N N 62  
A1L2F C62 C63  SING N N 63  
A1L2F C63 C64  SING N N 64  
A1L2F C10 H101 SING N N 65  
A1L2F C10 H102 SING N N 66  
A1L2F C13 H131 SING N N 67  
A1L2F C13 H132 SING N N 68  
A1L2F C15 H151 SING N N 69  
A1L2F C15 H152 SING N N 70  
A1L2F C17 H171 SING N N 71  
A1L2F C17 H172 SING N N 72  
A1L2F C21 H212 SING N N 73  
A1L2F C21 H211 SING N N 74  
A1L2F C02 H022 SING N N 75  
A1L2F C02 H021 SING N N 76  
A1L2F C04 H041 SING N N 77  
A1L2F C04 H042 SING N N 78  
A1L2F C06 H061 SING N N 79  
A1L2F C06 H062 SING N N 80  
A1L2F C08 H081 SING N N 81  
A1L2F C08 H082 SING N N 82  
A1L2F C11 H111 SING N N 83  
A1L2F C11 H112 SING N N 84  
A1L2F C12 H122 SING N N 85  
A1L2F C12 H121 SING N N 86  
A1L2F C16 H162 SING N N 87  
A1L2F C16 H161 SING N N 88  
A1L2F C23 H232 SING N N 89  
A1L2F C23 H231 SING N N 90  
A1L2F C01 H012 SING N N 91  
A1L2F C01 H013 SING N N 92  
A1L2F C01 H011 SING N N 93  
A1L2F C03 H031 SING N N 94  
A1L2F C03 H032 SING N N 95  
A1L2F C05 H052 SING N N 96  
A1L2F C05 H051 SING N N 97  
A1L2F C07 H071 SING N N 98  
A1L2F C07 H072 SING N N 99  
A1L2F C09 H092 SING N N 100 
A1L2F C09 H091 SING N N 101 
A1L2F C14 H141 SING N N 102 
A1L2F C14 H142 SING N N 103 
A1L2F C22 H221 SING N N 104 
A1L2F C29 H291 SING N N 105 
A1L2F C30 H301 SING N N 106 
A1L2F C31 H311 SING N N 107 
A1L2F C32 H321 SING N N 108 
A1L2F C33 H331 SING N N 109 
A1L2F C34 H341 SING N N 110 
A1L2F C47 H472 SING N N 111 
A1L2F C47 H471 SING N N 112 
A1L2F C48 H482 SING N N 113 
A1L2F C48 H481 SING N N 114 
A1L2F C49 H492 SING N N 115 
A1L2F C49 H491 SING N N 116 
A1L2F C50 H502 SING N N 117 
A1L2F C50 H501 SING N N 118 
A1L2F C51 H512 SING N N 119 
A1L2F C51 H511 SING N N 120 
A1L2F C52 H521 SING N N 121 
A1L2F C52 H522 SING N N 122 
A1L2F C53 H531 SING N N 123 
A1L2F C53 H532 SING N N 124 
A1L2F C54 H542 SING N N 125 
A1L2F C54 H541 SING N N 126 
A1L2F C55 H552 SING N N 127 
A1L2F C55 H551 SING N N 128 
A1L2F C56 H562 SING N N 129 
A1L2F C56 H561 SING N N 130 
A1L2F C57 H572 SING N N 131 
A1L2F C57 H571 SING N N 132 
A1L2F C58 H582 SING N N 133 
A1L2F C58 H581 SING N N 134 
A1L2F C59 H592 SING N N 135 
A1L2F C59 H591 SING N N 136 
A1L2F C60 H601 SING N N 137 
A1L2F C60 H602 SING N N 138 
A1L2F C61 H611 SING N N 139 
A1L2F C61 H612 SING N N 140 
A1L2F C62 H621 SING N N 141 
A1L2F C62 H622 SING N N 142 
A1L2F C63 H631 SING N N 143 
A1L2F C63 H632 SING N N 144 
A1L2F C64 H642 SING N N 145 
A1L2F C64 H643 SING N N 146 
A1L2F C64 H641 SING N N 147 
A1L2F O27 H1   SING N N 148 
A1L2F O35 H351 SING N N 149 
A1L2F O36 H361 SING N N 150 
A1L2F O39 H2   SING N N 151 
A1L2F O41 H3   SING N N 152 
A1L2F O42 H421 SING N N 153 
A1L2F O43 H431 SING N N 154 
# 
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 
A1L2F InChI            InChI                1.06  "InChI=1S/C46H90O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-40(48)60-38(36-58-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)37-59-64(56,57)62-46-43(51)41(49)45(42(50)44(46)52)61-63(53,54)55/h38,41-46,49-52H,3-37H2,1-2H3,(H,56,57)(H2,53,54,55)/t38-,41-,42+,43-,44-,45-,46+/m1/s1" 
A1L2F InChIKey         InChI                1.06  COUAKIOKTIUSGM-OPACOYSQSA-N                                                                                                                                                                                                                                                                               
A1L2F SMILES_CANONICAL CACTVS               3.385 "CCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCC)CO[P](O)(=O)O[C@@H]1[C@H](O)[C@H](O)[C@H](O[P](O)(O)=O)[C@H](O)[C@H]1O"                                                                                                                                                                           
A1L2F SMILES           CACTVS               3.385 "CCCCCCCCCCCCCCCCCCC(=O)O[CH](COC(=O)CCCCCCCCCCCCCCCCC)CO[P](O)(=O)O[CH]1[CH](O)[CH](O)[CH](O[P](O)(O)=O)[CH](O)[CH]1O"                                                                                                                                                                                   
A1L2F SMILES_CANONICAL "OpenEye OEToolkits" 2.0.7 "CCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)OP(=O)(O)O)O)O"                                                                                                                                                                                       
A1L2F SMILES           "OpenEye OEToolkits" 2.0.7 "CCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(O)OC1C(C(C(C(C1O)O)OP(=O)(O)O)O)O"                                                                                                                                                                                                            
# 
_pdbx_chem_comp_identifier.comp_id           A1L2F 
_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-octadecanoyloxy-3-[oxidanyl-[(2~{R},3~{S},5~{R},6~{R})-2,3,5,6-tetrakis(oxidanyl)-4-phosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propan-2-yl] nonadecanoate" 
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
A1L2F "Create component" 2024-06-13 PDBJ 
A1L2F "Initial release"  2025-03-12 RCSB 
# 
