data_A1L1C
# 
_chem_comp.id                                    A1L1C 
_chem_comp.name                                  "[(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (4~{Z},7~{Z},10~{Z},13~{Z},16~{Z},19~{Z})-docosa-4,7,10,13,16,19-hexaenoate" 
_chem_comp.type                                  non-polymer 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C43 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                     2024-04-30 
_chem_comp.pdbx_modified_date                    2024-12-27 
_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                        764.023 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     A1L1C 
_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        8Z8Z 
_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 
A1L1C C11 C1  C 0 1 N N N N N N 168.543 187.249 150.820 -1.640  -4.077 0.911  C11 A1L1C 1   
A1L1C C12 C2  C 0 1 N N N N N N 168.604 186.245 151.934 -2.266  -3.473 2.142  C12 A1L1C 2   
A1L1C C13 C3  C 0 1 N N N N N N 169.572 186.646 153.061 -3.698  -3.990 2.293  C13 A1L1C 3   
A1L1C C14 C4  C 0 1 N N N N N N 169.406 185.781 154.277 -4.324  -3.386 3.523  C14 A1L1C 4   
A1L1C C15 C5  C 0 1 N N N N N N 169.506 186.125 155.558 -5.484  -2.783 3.439  C15 A1L1C 5   
A1L1C C16 C6  C 0 1 N N N N N N 169.823 187.473 156.157 -6.268  -2.833 2.153  C16 A1L1C 6   
A1L1C C17 C7  C 0 1 N N N N N N 168.648 188.247 156.690 -7.660  -3.337 2.433  C17 A1L1C 7   
A1L1C C18 C8  C 0 1 N N N N N N 168.578 189.013 157.772 -8.699  -2.657 2.017  C18 A1L1C 8   
A1L1C C19 C9  C 0 1 N N N N N N 169.650 189.307 158.782 -8.507  -1.461 1.121  C19 A1L1C 9   
A1L1C C20 C10 C 0 1 N N N N N N 170.178 188.068 159.429 -9.353  -1.618 -0.116 C20 A1L1C 10  
A1L1C C21 C11 C 0 1 N N N N N N 170.563 187.916 160.676 -10.180 -0.665 -0.470 C21 A1L1C 11  
A1L1C C22 C12 C 0 1 N N N N N N 170.589 188.950 161.747 -10.162 0.655  0.256  C22 A1L1C 12  
A1L1C C23 C13 C 0 1 N N N N N N 169.817 188.625 162.980 -10.014 1.775  -0.741 C23 A1L1C 13  
A1L1C C24 C14 C 0 1 N N N N N N 169.056 189.452 163.657 -10.873 2.765  -0.747 C24 A1L1C 14  
A1L1C C25 C15 C 0 1 N N N N N N 168.762 190.882 163.325 -11.909 2.869  0.342  C25 A1L1C 15  
A1L1C C26 C16 C 0 1 N N N N N N 169.265 191.800 164.388 -11.860 4.247  0.952  C26 A1L1C 16  
A1L1C C27 C17 C 0 1 N N N N N N 169.457 193.096 164.293 -12.936 4.993  0.973  C27 A1L1C 17  
A1L1C C28 C18 C 0 1 N N N N N N 169.189 193.976 163.111 -14.173 4.553  0.232  C28 A1L1C 18  
A1L1C C29 C19 C 0 1 N N N N N N 168.713 195.353 163.493 -15.311 4.393  1.207  C29 A1L1C 19  
A1L1C C30 C20 C 0 1 N N N N N N 168.695 196.442 162.744 -16.455 4.992  0.982  C30 A1L1C 20  
A1L1C C31 C21 C 0 1 N N N N N N 169.105 196.607 161.310 -16.687 5.706  -0.325 C31 A1L1C 21  
A1L1C C32 C22 C 0 1 N N N N N N 168.280 197.643 160.583 -17.976 5.188  -0.967 C32 A1L1C 22  
A1L1C C34 C23 C 0 1 N N N N N N 165.787 189.137 149.674 1.672   -4.557 -0.470 C34 A1L1C 23  
A1L1C C36 C24 C 0 1 N N N N N N 166.392 191.396 150.009 3.639   -3.228 -0.262 C36 A1L1C 24  
A1L1C C37 C25 C 0 1 N N N N N N 166.573 192.473 151.031 4.364   -1.909 -0.178 C37 A1L1C 25  
A1L1C C38 C26 C 0 1 N N N N N N 165.431 193.476 151.039 5.866   -2.162 -0.030 C38 A1L1C 26  
A1L1C C39 C27 C 0 1 N N N N N N 165.277 194.175 152.374 6.602   -0.823 0.055  C39 A1L1C 27  
A1L1C C4  C28 C 0 1 N N N N N N 168.802 190.368 145.804 1.744   1.243  -3.205 C4  A1L1C 28  
A1L1C C40 C29 C 0 1 N N N N N N 164.970 195.658 152.283 8.104   -1.076 0.204  C40 A1L1C 29  
A1L1C C41 C30 C 0 1 N N N N N N 166.143 196.512 151.835 8.840   0.263  0.289  C41 A1L1C 30  
A1L1C C42 C31 C 0 1 N N N N N N 166.784 197.329 152.948 10.342  0.011  0.437  C42 A1L1C 31  
A1L1C C43 C32 C 0 1 N N N N N N 167.812 196.560 153.761 11.078  1.349  0.522  C43 A1L1C 32  
A1L1C C44 C33 C 0 1 N N N N N N 167.492 196.470 155.243 12.580  1.097  0.671  C44 A1L1C 33  
A1L1C C45 C34 C 0 1 N N N N N N 166.096 195.959 155.549 13.316  2.435  0.756  C45 A1L1C 34  
A1L1C C46 C35 C 0 1 N N N N N N 165.397 196.708 156.664 14.817  2.183  0.904  C46 A1L1C 35  
A1L1C C47 C36 C 0 1 N N N N N N 164.176 197.488 156.212 15.554  3.522  0.989  C47 A1L1C 36  
A1L1C C48 C37 C 0 1 N N N N N N 163.211 197.791 157.338 17.055  3.269  1.138  C48 A1L1C 37  
A1L1C C49 C38 C 0 1 N N N N N N 163.785 197.474 158.701 17.791  4.608  1.222  C49 A1L1C 38  
A1L1C C5  C39 C 0 1 N N N N N N 168.929 191.693 145.115 2.756   2.164  -2.521 C5  A1L1C 39  
A1L1C C50 C40 C 0 1 N N N N N N 162.790 197.570 159.832 19.293  4.356  1.371  C50 A1L1C 40  
A1L1C C51 C41 C 0 1 N N N N N N 163.437 197.943 161.140 20.029  5.694  1.456  C51 A1L1C 41  
A1L1C C8  C42 C 0 1 N N N N N N 166.896 187.676 148.046 -0.134  -3.495 -1.830 C8  A1L1C 42  
A1L1C C9  C43 C 0 1 N N R N N N 167.051 188.405 149.334 0.160   -4.384 -0.620 C9  A1L1C 43  
A1L1C N6  N1  N 0 1 N N N N N N 169.484 191.530 143.750 4.052   1.479  -2.420 N6  A1L1C 44  
A1L1C O1  O1  O 0 1 N N N N N N 168.766 187.192 145.101 0.868   -1.615 -4.117 O1  A1L1C 45  
A1L1C O10 O2  O 0 1 N N N N N N 167.288 187.411 150.376 -0.378  -3.765 0.578  O10 A1L1C 46  
A1L1C O3  O3  O 0 1 N N N N N N 167.918 189.507 145.056 1.506   0.101  -2.380 O3  A1L1C 47  
A1L1C O33 O4  O 0 1 N N N N N N 169.490 187.824 150.364 -2.273  -4.847 0.228  O33 A1L1C 48  
A1L1C O35 O5  O 0 1 N N N N N N 166.030 190.245 150.568 2.304   -3.252 -0.396 O35 A1L1C 49  
A1L1C O52 O6  O 0 1 N N N N N N 166.563 191.537 148.831 4.260   -4.263 -0.208 O52 A1L1C 50  
A1L1C O53 O7  O 0 1 N N N N N N 166.260 187.604 145.268 -1.010  -0.503 -2.850 O53 A1L1C 51  
A1L1C O7  O8  O 0 1 N N N N N N 167.783 188.303 147.109 0.570   -2.259 -1.695 O7  A1L1C 52  
A1L1C P2  P1  P 0 1 N N N N N N 167.643 188.031 145.558 0.492   -1.081 -2.789 P2  A1L1C 53  
A1L1C H1  H1  H 0 1 N N N N N N 167.596 186.136 152.361 -1.684  -3.753 3.020  H1  A1L1C 54  
A1L1C H2  H2  H 0 1 N N N N N N 168.932 185.281 151.518 -2.280  -2.388 2.047  H2  A1L1C 55  
A1L1C H3  H3  H 0 1 N N N N N N 170.604 186.549 152.694 -4.280  -3.710 1.414  H3  A1L1C 56  
A1L1C H4  H4  H 0 1 N N N N N N 169.379 187.692 153.340 -3.684  -5.076 2.388  H4  A1L1C 57  
A1L1C H5  H5  H 0 1 N N N N N N 169.175 184.743 154.087 -3.816  -3.450 4.474  H5  A1L1C 58  
A1L1C H6  H6  H 0 1 N N N N N N 169.337 185.329 156.268 -5.878  -2.250 4.292  H6  A1L1C 59  
A1L1C H7  H7  H 0 1 N N N N N N 170.528 187.316 156.987 -6.323  -1.834 1.722  H7  A1L1C 60  
A1L1C H8  H8  H 0 1 N N N N N N 170.304 188.083 155.378 -5.773  -3.504 1.452  H8  A1L1C 61  
A1L1C H9  H9  H 0 1 N N N N N N 167.738 188.169 156.114 -7.801  -4.260 2.977  H9  A1L1C 62  
A1L1C H10 H10 H 0 1 N N N N N N 167.624 189.487 157.949 -9.694  -2.954 2.315  H10 A1L1C 63  
A1L1C H11 H11 H 0 1 N N N N N N 170.480 189.823 158.277 -8.805  -0.557 1.653  H11 A1L1C 64  
A1L1C H12 H12 H 0 1 N N N N N N 169.232 189.961 159.561 -7.457  -1.385 0.836  H12 A1L1C 65  
A1L1C H13 H13 H 0 1 N N N N N N 170.252 187.195 158.798 -9.277  -2.516 -0.711 H13 A1L1C 66  
A1L1C H14 H14 H 0 1 N N N N N N 170.899 186.929 160.956 -10.874 -0.826 -1.281 H14 A1L1C 67  
A1L1C H15 H15 H 0 1 N N N N N N 171.638 189.109 162.037 -11.095 0.780  0.807  H15 A1L1C 68  
A1L1C H16 H16 H 0 1 N N N N N N 170.179 189.881 161.328 -9.324  0.676  0.953  H16 A1L1C 69  
A1L1C H17 H17 H 0 1 N N N N N N 169.891 187.613 163.351 -9.201  1.762  -1.451 H17 A1L1C 70  
A1L1C H18 H18 H 0 1 N N N N N N 168.592 189.059 164.550 -10.838 3.505  -1.532 H18 A1L1C 71  
A1L1C H19 H19 H 0 1 N N N N N N 169.249 191.136 162.372 -12.899 2.695  -0.080 H19 A1L1C 72  
A1L1C H20 H20 H 0 1 N N N N N N 167.674 191.010 163.226 -11.705 2.124  1.110  H20 A1L1C 73  
A1L1C H21 H21 H 0 1 N N N N N N 169.497 191.349 165.341 -10.937 4.618  1.372  H21 A1L1C 74  
A1L1C H22 H22 H 0 1 N N N N N N 169.855 193.584 165.170 -12.937 5.924  1.520  H22 A1L1C 75  
A1L1C H23 H23 H 0 1 N N N N N N 168.418 193.500 162.488 -14.435 5.302  -0.514 H23 A1L1C 76  
A1L1C H24 H24 H 0 1 N N N N N N 170.118 194.076 162.531 -13.981 3.600  -0.261 H24 A1L1C 77  
A1L1C H25 H25 H 0 1 N N N N N N 168.341 195.464 164.501 -15.185 3.786  2.090  H25 A1L1C 78  
A1L1C H26 H26 H 0 1 N N N N N N 168.336 197.336 163.231 -17.230 4.975  1.733  H26 A1L1C 79  
A1L1C H27 H27 H 0 1 N N N N N N 168.988 195.641 160.797 -16.777 6.777  -0.144 H27 A1L1C 80  
A1L1C H28 H28 H 0 1 N N N N N N 170.161 196.913 161.279 -15.847 5.520  -0.995 H28 A1L1C 81  
A1L1C H29 H29 H 0 1 N N N N N N 168.624 197.721 159.541 -18.144 5.704  -1.912 H29 A1L1C 82  
A1L1C H30 H30 H 0 1 N N N N N N 167.221 197.345 160.599 -17.886 4.117  -1.148 H30 A1L1C 83  
A1L1C H31 H31 H 0 1 N N N N N N 168.394 198.617 161.080 -18.815 5.374  -0.297 H31 A1L1C 84  
A1L1C H32 H32 H 0 1 N N N N N N 165.338 189.521 148.746 1.885   -5.116 0.441  H32 A1L1C 85  
A1L1C H33 H33 H 0 1 N N N N N N 165.089 188.437 150.157 2.063   -5.102 -1.330 H33 A1L1C 86  
A1L1C H34 H34 H 0 1 N N N N N N 166.638 192.007 152.025 4.180   -1.335 -1.086 H34 A1L1C 87  
A1L1C H35 H35 H 0 1 N N N N N N 167.509 193.008 150.815 4.003   -1.350 0.685  H35 A1L1C 88  
A1L1C H36 H36 H 0 1 N N N N N N 165.623 194.234 150.265 6.050   -2.736 0.879  H36 A1L1C 89  
A1L1C H37 H37 H 0 1 N N N N N N 164.495 192.946 150.809 6.227   -2.721 -0.892 H37 A1L1C 90  
A1L1C H38 H38 H 0 1 N N N N N N 164.457 193.689 152.923 6.418   -0.249 -0.853 H38 A1L1C 91  
A1L1C H39 H39 H 0 1 N N N N N N 166.216 194.053 152.934 6.240   -0.264 0.918  H39 A1L1C 92  
A1L1C H40 H40 H 0 1 N N N N N N 168.394 190.520 146.814 0.809   1.781  -3.360 H40 A1L1C 93  
A1L1C H41 H41 H 0 1 N N N N N N 169.794 189.898 145.876 2.141   0.919  -4.167 H41 A1L1C 94  
A1L1C H42 H42 H 0 1 N N N N N N 164.650 196.005 153.277 8.288   -1.650 1.112  H42 A1L1C 95  
A1L1C H43 H43 H 0 1 N N N N N N 164.149 195.796 151.565 8.465   -1.635 -0.659 H43 A1L1C 96  
A1L1C H44 H44 H 0 1 N N N N N N 166.910 195.848 151.410 8.656   0.837  -0.619 H44 A1L1C 97  
A1L1C H45 H45 H 0 1 N N N N N N 165.787 197.206 151.059 8.478   0.822  1.151  H45 A1L1C 98  
A1L1C H46 H46 H 0 1 N N N N N N 167.281 198.200 152.496 10.526  -0.563 1.345  H46 A1L1C 99  
A1L1C H47 H47 H 0 1 N N N N N N 165.990 197.671 153.628 10.703  -0.549 -0.426 H47 A1L1C 100 
A1L1C H48 H48 H 0 1 N N N N N N 167.876 195.538 153.359 10.894  1.923  -0.386 H48 A1L1C 101 
A1L1C H49 H49 H 0 1 N N N N N N 168.785 197.060 153.648 10.716  1.909  1.385  H49 A1L1C 102 
A1L1C H50 H50 H 0 1 N N N N N N 168.219 195.790 155.712 12.763  0.523  1.579  H50 A1L1C 103 
A1L1C H51 H51 H 0 1 N N N N N N 167.595 197.474 155.680 12.941  0.537  -0.192 H51 A1L1C 104 
A1L1C H52 H52 H 0 1 N N N N N N 165.487 196.049 154.637 13.132  3.009  -0.153 H52 A1L1C 105 
A1L1C H53 H53 H 0 1 N N N N N N 166.171 194.900 155.837 12.954  2.995  1.618  H53 A1L1C 106 
A1L1C H54 H54 H 0 1 N N N N N N 165.080 195.979 157.425 15.001  1.609  1.812  H54 A1L1C 107 
A1L1C H55 H55 H 0 1 N N N N N N 166.114 197.414 157.109 15.179  1.624  0.041  H55 A1L1C 108 
A1L1C H56 H56 H 0 1 N N N N N N 164.512 198.439 155.774 15.370  4.096  0.081  H56 A1L1C 109 
A1L1C H57 H57 H 0 1 N N N N N N 163.648 196.899 155.448 15.192  4.081  1.852  H57 A1L1C 110 
A1L1C H58 H58 H 0 1 N N N N N N 162.955 198.860 157.304 17.239  2.695  2.046  H58 A1L1C 111 
A1L1C H59 H59 H 0 1 N N N N N N 162.300 197.192 157.192 17.417  2.710  0.275  H59 A1L1C 112 
A1L1C H60 H60 H 0 1 N N N N N N 164.182 196.448 158.678 17.608  5.182  0.314  H60 A1L1C 113 
A1L1C H61 H61 H 0 1 N N N N N N 164.604 198.180 158.902 17.430  5.167  2.085  H61 A1L1C 114 
A1L1C H62 H62 H 0 1 N N N N N N 169.598 192.340 145.701 2.872   3.076  -3.106 H62 A1L1C 115 
A1L1C H63 H63 H 0 1 N N N N N N 167.935 192.160 145.046 2.400   2.416  -1.522 H63 A1L1C 116 
A1L1C H64 H64 H 0 1 N N N N N N 162.041 198.334 159.579 19.477  3.782  2.279  H64 A1L1C 117 
A1L1C H65 H65 H 0 1 N N N N N N 162.294 196.595 159.949 19.655  3.796  0.508  H65 A1L1C 118 
A1L1C H66 H66 H 0 1 N N N N N N 162.670 197.999 161.926 21.099  5.514  1.562  H66 A1L1C 119 
A1L1C H67 H67 H 0 1 N N N N N N 164.184 197.182 161.410 19.845  6.268  0.548  H67 A1L1C 120 
A1L1C H68 H68 H 0 1 N N N N N N 163.930 198.921 161.039 19.668  6.253  2.319  H68 A1L1C 121 
A1L1C H69 H69 H 0 1 N N N N N N 165.857 187.749 147.692 0.190   -4.000 -2.740 H69 A1L1C 122 
A1L1C H70 H70 H 0 1 N N N N N N 167.166 186.618 148.174 -1.205  -3.299 -1.885 H70 A1L1C 123 
A1L1C H71 H71 H 0 1 N N N N N N 167.892 189.111 149.273 -0.305  -5.360 -0.765 H71 A1L1C 124 
A1L1C H72 H72 H 0 1 N N N N N N 169.559 192.425 143.311 4.373   1.178  -3.328 H72 A1L1C 125 
A1L1C H73 H73 H 0 1 N N N N N N 170.389 191.109 143.806 4.738   2.068  -1.971 H73 A1L1C 126 
A1L1C H75 H75 H 0 1 N N N N N N 166.275 186.784 144.789 -1.324  -0.135 -2.012 H75 A1L1C 127 
# 
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 
A1L1C N6  C5  SING N N 1   
A1L1C O3  P2  SING N N 2   
A1L1C O3  C4  SING N N 3   
A1L1C O1  P2  DOUB N N 4   
A1L1C C5  C4  SING N N 5   
A1L1C O53 P2  SING N N 6   
A1L1C P2  O7  SING N N 7   
A1L1C O7  C8  SING N N 8   
A1L1C C8  C9  SING N N 9   
A1L1C O52 C36 DOUB N N 10  
A1L1C C9  C34 SING N N 11  
A1L1C C9  O10 SING N N 12  
A1L1C C34 O35 SING N N 13  
A1L1C C36 O35 SING N N 14  
A1L1C C36 C37 SING N N 15  
A1L1C O33 C11 DOUB N N 16  
A1L1C O10 C11 SING N N 17  
A1L1C C11 C12 SING N N 18  
A1L1C C37 C38 SING N N 19  
A1L1C C38 C39 SING N N 20  
A1L1C C41 C40 SING N N 21  
A1L1C C41 C42 SING N N 22  
A1L1C C12 C13 SING N N 23  
A1L1C C40 C39 SING N N 24  
A1L1C C42 C43 SING N N 25  
A1L1C C13 C14 SING N N 26  
A1L1C C43 C44 SING N N 27  
A1L1C C14 C15 DOUB N Z 28  
A1L1C C44 C45 SING N N 29  
A1L1C C45 C46 SING N N 30  
A1L1C C15 C16 SING N N 31  
A1L1C C16 C17 SING N N 32  
A1L1C C47 C46 SING N N 33  
A1L1C C47 C48 SING N N 34  
A1L1C C17 C18 DOUB N Z 35  
A1L1C C48 C49 SING N N 36  
A1L1C C18 C19 SING N N 37  
A1L1C C49 C50 SING N N 38  
A1L1C C19 C20 SING N N 39  
A1L1C C20 C21 DOUB N Z 40  
A1L1C C50 C51 SING N N 41  
A1L1C C32 C31 SING N N 42  
A1L1C C21 C22 SING N N 43  
A1L1C C31 C30 SING N N 44  
A1L1C C22 C23 SING N N 45  
A1L1C C30 C29 DOUB N Z 46  
A1L1C C23 C24 DOUB N Z 47  
A1L1C C28 C29 SING N N 48  
A1L1C C28 C27 SING N N 49  
A1L1C C25 C24 SING N N 50  
A1L1C C25 C26 SING N N 51  
A1L1C C27 C26 DOUB N Z 52  
A1L1C C12 H1  SING N N 53  
A1L1C C12 H2  SING N N 54  
A1L1C C13 H3  SING N N 55  
A1L1C C13 H4  SING N N 56  
A1L1C C14 H5  SING N N 57  
A1L1C C15 H6  SING N N 58  
A1L1C C16 H7  SING N N 59  
A1L1C C16 H8  SING N N 60  
A1L1C C17 H9  SING N N 61  
A1L1C C18 H10 SING N N 62  
A1L1C C19 H11 SING N N 63  
A1L1C C19 H12 SING N N 64  
A1L1C C20 H13 SING N N 65  
A1L1C C21 H14 SING N N 66  
A1L1C C22 H15 SING N N 67  
A1L1C C22 H16 SING N N 68  
A1L1C C23 H17 SING N N 69  
A1L1C C24 H18 SING N N 70  
A1L1C C25 H19 SING N N 71  
A1L1C C25 H20 SING N N 72  
A1L1C C26 H21 SING N N 73  
A1L1C C27 H22 SING N N 74  
A1L1C C28 H23 SING N N 75  
A1L1C C28 H24 SING N N 76  
A1L1C C29 H25 SING N N 77  
A1L1C C30 H26 SING N N 78  
A1L1C C31 H27 SING N N 79  
A1L1C C31 H28 SING N N 80  
A1L1C C32 H29 SING N N 81  
A1L1C C32 H30 SING N N 82  
A1L1C C32 H31 SING N N 83  
A1L1C C34 H32 SING N N 84  
A1L1C C34 H33 SING N N 85  
A1L1C C37 H34 SING N N 86  
A1L1C C37 H35 SING N N 87  
A1L1C C38 H36 SING N N 88  
A1L1C C38 H37 SING N N 89  
A1L1C C39 H38 SING N N 90  
A1L1C C39 H39 SING N N 91  
A1L1C C4  H40 SING N N 92  
A1L1C C4  H41 SING N N 93  
A1L1C C40 H42 SING N N 94  
A1L1C C40 H43 SING N N 95  
A1L1C C41 H44 SING N N 96  
A1L1C C41 H45 SING N N 97  
A1L1C C42 H46 SING N N 98  
A1L1C C42 H47 SING N N 99  
A1L1C C43 H48 SING N N 100 
A1L1C C43 H49 SING N N 101 
A1L1C C44 H50 SING N N 102 
A1L1C C44 H51 SING N N 103 
A1L1C C45 H52 SING N N 104 
A1L1C C45 H53 SING N N 105 
A1L1C C46 H54 SING N N 106 
A1L1C C46 H55 SING N N 107 
A1L1C C47 H56 SING N N 108 
A1L1C C47 H57 SING N N 109 
A1L1C C48 H58 SING N N 110 
A1L1C C48 H59 SING N N 111 
A1L1C C49 H60 SING N N 112 
A1L1C C49 H61 SING N N 113 
A1L1C C5  H62 SING N N 114 
A1L1C C5  H63 SING N N 115 
A1L1C C50 H64 SING N N 116 
A1L1C C50 H65 SING N N 117 
A1L1C C51 H66 SING N N 118 
A1L1C C51 H67 SING N N 119 
A1L1C C51 H68 SING N N 120 
A1L1C C8  H69 SING N N 121 
A1L1C C8  H70 SING N N 122 
A1L1C C9  H71 SING N N 123 
A1L1C N6  H72 SING N N 124 
A1L1C N6  H73 SING N N 125 
A1L1C O53 H75 SING N N 126 
# 
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 
A1L1C InChI            InChI                1.06  "InChI=1S/C43H74NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20-21,24,26,30,32,41H,3-4,6,8-10,12,14-16,19,22-23,25,27-29,31,33-40,44H2,1-2H3,(H,47,48)/b7-5-,13-11-,18-17-,21-20-,26-24-,32-30-/t41-/m1/s1" 
A1L1C InChIKey         InChI                1.06  MPWUZHVZZKSTPV-MADBQMNMSA-N                                                                                                                                                                                                                                                                                                                 
A1L1C SMILES_CANONICAL CACTVS               3.385 "CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P](O)(=O)OCCN)OC(=O)CC\C=C/C/C=C\C\C=C/C/C=C\C\C=C/C\C=C/CC"                                                                                                                                                                                                                                                
A1L1C SMILES           CACTVS               3.385 "CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCCN)OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC"                                                                                                                                                                                                                                                             
A1L1C SMILES_CANONICAL "OpenEye OEToolkits" 2.0.7 "CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC"                                                                                                                                                                                                                                                  
A1L1C SMILES           "OpenEye OEToolkits" 2.0.7 "CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC"                                                                                                                                                                                                                                                                  
# 
_pdbx_chem_comp_identifier.comp_id           A1L1C 
_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-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (4~{Z},7~{Z},10~{Z},13~{Z},16~{Z},19~{Z})-docosa-4,7,10,13,16,19-hexaenoate" 
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
A1L1C "Create component" 2024-04-30 PDBJ 
A1L1C "Initial release"  2025-01-01 RCSB 
# 
