data_A1LVF
# 
_chem_comp.id                                    A1LVF 
_chem_comp.name                                  "2,3-bis[[(Z)-octadec-9-enoyl]oxy]propyl (Z)-octadec-9-enoate" 
_chem_comp.type                                  non-polymer 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C57 H104 O6" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         "Glyceryl trioleate" 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2023-12-20 
_chem_comp.pdbx_modified_date                    2025-10-31 
_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                        885.432 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     A1LVF 
_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        8X2B 
_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 
A1LVF C07 C1   C 0 1 N N N N N N 120.906 114.631 137.671 1.697   -3.023  -1.167 C07  A1LVF 1   
A1LVF C08 C2   C 0 1 N N N N N N 120.587 113.438 136.689 2.139   -4.443  -0.810 C08  A1LVF 2   
A1LVF C09 C3   C 0 1 N N N N N N 108.690 110.316 136.254 -10.314 1.917   2.182  C09  A1LVF 3   
A1LVF C10 C4   C 0 1 N N N N N N 114.515 116.946 130.515 6.228   6.116   0.312  C10  A1LVF 4   
A1LVF C11 C5   C 0 1 N N N N N N 119.806 115.213 138.631 0.915   -2.422  0.003  C11  A1LVF 5   
A1LVF C12 C6   C 0 1 N N N N N N 107.682 110.031 135.165 -11.483 1.042   1.725  C12  A1LVF 6   
A1LVF C13 C7   C 0 1 N N N N N N 114.825 116.727 129.022 7.546   5.873   -0.426 C13  A1LVF 7   
A1LVF C14 C8   C 0 1 N N N N N N 122.079 118.271 130.213 6.819   -9.375  0.451  C14  A1LVF 8   
A1LVF C15 C9   C 0 1 N N N N N N 120.586 118.571 129.776 7.278   -10.821 0.648  C15  A1LVF 9   
A1LVF C16 C10  C 0 1 N N N N N N 121.481 113.190 135.498 2.921   -5.043  -1.981 C16  A1LVF 10  
A1LVF C17 C11  C 0 1 N N N N N N 108.587 116.631 133.274 -18.801 -0.869  -1.663 C17  A1LVF 11  
A1LVF C18 C12  C 0 1 N N N N N N 117.453 121.782 127.439 15.578  4.111   -1.456 C18  A1LVF 12  
A1LVF C19 C13  C 0 1 N N N N N N 108.754 116.459 134.834 -17.568 -0.030  -1.322 C19  A1LVF 13  
A1LVF C20 C14  C 0 1 N N N N N N 117.682 120.449 126.605 14.227  4.224   -0.748 C20  A1LVF 14  
A1LVF C21 C15  C 0 1 N N N N N N 110.073 110.699 135.729 -9.038  1.480   1.461  C21  A1LVF 15  
A1LVF C22 C16  C 0 1 N N N N N N 113.107 116.522 130.947 5.189   5.091   -0.147 C22  A1LVF 16  
A1LVF C23 C17  C 0 1 N N N N N N 106.206 110.546 135.227 -12.760 1.480   2.446  C23  A1LVF 17  
A1LVF C24 C18  C 0 1 N N N N N N 113.879 117.490 127.986 8.584   6.898   0.034  C24  A1LVF 18  
A1LVF C25 C19  C 0 1 N N N N N N 122.300 116.782 130.604 6.295   -9.195  -0.975 C25  A1LVF 19  
A1LVF C26 C20  C 0 1 N N N N N N 120.129 117.881 128.474 7.802   -11.001 2.074  C26  A1LVF 20  
A1LVF C27 C21  C 0 1 N N N N N N 109.874 117.221 132.575 -18.838 -1.132  -3.170 C27  A1LVF 21  
A1LVF C28 C22  C 0 1 N N N N N N 117.781 121.530 128.981 15.972  2.637   -1.569 C28  A1LVF 22  
A1LVF C29 C23  C 0 1 N N N N N N 109.789 115.352 135.279 -17.530 0.233   0.184  C29  A1LVF 23  
A1LVF C30 C24  C 0 1 N N N N N N 117.025 120.566 125.205 13.833  5.698   -0.634 C30  A1LVF 24  
A1LVF C31 C25  C 0 1 N N N N N N 118.592 114.333 138.607 0.473   -1.002  -0.354 C31  A1LVF 25  
A1LVF C32 C26  C 0 1 N N N N N N 110.851 111.068 136.994 -7.868  2.354   1.918  C32  A1LVF 26  
A1LVF C33 C27  C 0 1 N N N N N N 113.167 115.583 132.195 3.871   5.334   0.591  C33  A1LVF 27  
A1LVF C34 C28  C 0 1 N N N N N N 120.973 114.153 134.384 3.363   -6.464  -1.624 C34  A1LVF 28  
A1LVF C35 C29  C 0 1 N N N N N N 106.211 112.059 135.356 -13.929 0.605   1.989  C35  A1LVF 29  
A1LVF C36 C30  C 0 1 N N N N N N 113.695 117.668 126.417 9.902   6.655   -0.704 C36  A1LVF 30  
A1LVF C37 C31  C 0 1 N N N N N N 121.198 116.249 131.538 5.836   -7.749  -1.171 C37  A1LVF 31  
A1LVF C38 C32  C 0 1 N N N N N N 118.700 117.360 128.682 8.260   -12.447 2.270  C38  A1LVF 32  
A1LVF C39 C33  C 0 1 N N N N N N 109.663 118.569 131.810 -20.072 -1.970  -3.511 C39  A1LVF 33  
A1LVF C40 C34  C 0 1 N N N N N N 116.579 121.879 129.898 17.324  2.523   -2.278 C40  A1LVF 34  
A1LVF C41 C35  C 0 1 N N N N N N 109.139 114.024 135.832 -16.297 1.071   0.525  C41  A1LVF 35  
A1LVF C42 C36  C 0 1 N N N N N N 115.684 119.809 125.222 12.481  5.811   0.074  C42  A1LVF 36  
A1LVF C43 C37  C 0 1 N N N N N N 117.489 114.894 137.783 -0.308  -0.402  0.817  C43  A1LVF 37  
A1LVF C44 C38  C 0 1 N N N N N N 112.149 111.741 136.545 -6.592  1.917   1.197  C44  A1LVF 38  
A1LVF C45 C39  C 0 1 N N N N N N 113.565 116.381 133.475 2.832   4.309   0.132  C45  A1LVF 39  
A1LVF C46 C40  C 0 1 N N N N N N 122.098 114.530 133.429 4.133   -7.055  -2.777 C46  A1LVF 40  
A1LVF C47 C41  C 0 1 N N N N N N 121.965 115.333 132.432 5.320   -7.572  -2.576 C47  A1LVF 41  
A1LVF C48 C42  C 0 1 N N N N N N 118.288 116.756 127.364 8.785   -12.627 3.696  C48  A1LVF 42  
A1LVF C49 C43  C 0 1 N N N N N N 109.094 118.330 130.362 -20.109 -2.234  -5.018 C49  A1LVF 43  
A1LVF C50 C44  C 0 1 N N N N N N 115.584 120.737 129.960 17.718  1.049   -2.391 C50  A1LVF 44  
A1LVF C51 C45  C 0 1 N N N N N N 107.193 112.594 134.266 -15.186 1.036   2.699  C51  A1LVF 45  
A1LVF C52 C46  C 0 1 N N N N N N 115.070 117.354 125.744 10.925  7.665   -0.252 C52  A1LVF 46  
A1LVF C53 C47  C 0 1 N N N N N N 108.179 113.335 134.795 -16.260 1.331   2.009  C53  A1LVF 47  
A1LVF C54 C48  C 0 1 N N N N N N 115.927 118.271 125.245 12.093  7.263   0.186  C54  A1LVF 48  
A1LVF C55 C49  C 0 1 N N N N N N 114.138 114.947 137.744 -1.835  3.062   0.941  C55  A1LVF 49  
A1LVF C56 C50  C 0 1 N N N N N N 113.039 114.615 138.769 -3.151  3.442   1.623  C56  A1LVF 50  
A1LVF C57 C51  C 0 1 N N N N N N 113.561 115.778 136.652 -0.744  4.053   1.351  C57  A1LVF 51  
A1LVF C58 C52  C 0 1 N N N N N N 116.254 114.777 138.598 -0.744  0.997   0.465  C58  A1LVF 52  
A1LVF C59 C53  C 0 1 N N N N N N 112.290 112.501 137.839 -5.440  2.778   1.647  C59  A1LVF 53  
A1LVF C60 C54  C 0 1 N N N N N N 114.299 115.456 134.483 1.534   4.549   0.859  C60  A1LVF 54  
A1LVF C61 C55  C 0 1 N N N N N N 118.733 115.336 127.348 9.243   -14.073 3.893  C61  A1LVF 55  
A1LVF C62 C56  C 0 1 N N N N N N 110.201 118.024 129.299 -21.343 -3.072  -5.359 C62  A1LVF 56  
A1LVF C63 C57  C 0 1 N N N N N N 114.787 120.848 131.232 19.070  0.936   -3.099 C63  A1LVF 57  
A1LVF O01 O1   O 0 1 N N N N N N 115.192 115.637 138.323 -1.449  1.722   1.348  O01  A1LVF 58  
A1LVF O02 O2   O 0 1 N N N N N N 112.025 113.865 138.100 -4.213  2.575   1.144  O02  A1LVF 59  
A1LVF O03 O3   O 0 1 N N N N N N 114.628 115.950 135.749 0.473   3.764   0.614  O03  A1LVF 60  
A1LVF O04 O4   O 0 1 N N N N N N 116.058 113.953 139.416 -0.459  1.466   -0.611 O04  A1LVF 61  
A1LVF O05 O5   O 0 1 N N N N N N 112.736 111.824 138.676 -5.622  3.653   2.461  O05  A1LVF 62  
A1LVF O06 O6   O 0 1 N N N N N N 114.552 114.340 134.211 1.449   5.448   1.662  O06  A1LVF 63  
A1LVF H1  H1   H 0 0 N N N N N N 121.733 114.293 138.313 2.575   -2.409  -1.371 H071 A1LVF 64  
A1LVF H2  H2   H 0 0 N N N N N N 121.247 115.468 137.044 1.061   -3.052  -2.052 H072 A1LVF 65  
A1LVF H3  H3   H 0 0 N N N N N N 119.574 113.610 136.297 2.776   -4.414  0.074  H082 A1LVF 66  
A1LVF H4  H4   H 0 0 N N N N N N 120.596 112.518 137.292 1.262   -5.056  -0.607 H081 A1LVF 67  
A1LVF H5  H5   H 0 0 N N N N N N 108.311 111.145 136.869 -10.526 2.960   1.945  H091 A1LVF 68  
A1LVF H6  H6   H 0 0 N N N N N N 108.793 109.415 136.876 -10.179 1.809   3.258  H092 A1LVF 69  
A1LVF H7  H7   H 0 0 N N N N N N 115.242 116.368 131.104 6.388   6.015   1.386  H101 A1LVF 70  
A1LVF H8  H8   H 0 0 N N N N N N 114.633 118.017 130.736 5.868   7.121   0.092  H102 A1LVF 71  
A1LVF H9  H9   H 0 0 N N N N N N 120.203 115.259 139.656 0.038   -3.036  0.207  H111 A1LVF 72  
A1LVF H10 H10  H 0 0 N N N N N N 119.530 116.225 138.299 1.552   -2.393  0.888  H112 A1LVF 73  
A1LVF H11 H11  H 0 0 N N N N N N 107.620 108.936 135.086 -11.619 1.150   0.649  H122 A1LVF 74  
A1LVF H12 H12  H 0 0 N N N N N N 108.110 110.442 134.238 -11.271 -0.000  1.962  H121 A1LVF 75  
A1LVF H13 H13  H 0 0 N N N N N N 114.746 115.649 128.817 7.905   4.868   -0.205 H132 A1LVF 76  
A1LVF H14 H14  H 0 0 N N N N N N 115.858 117.060 128.841 7.385   5.974   -1.499 H131 A1LVF 77  
A1LVF H15 H15  H 0 0 N N N N N N 122.748 118.518 129.375 6.025   -9.146  1.162  H141 A1LVF 78  
A1LVF H16 H16  H 0 0 N N N N N N 122.326 118.903 131.079 7.660   -8.701  0.617  H142 A1LVF 79  
A1LVF H17 H17  H 0 0 N N N N N N 120.484 119.658 129.639 6.436   -11.495 0.482  H152 A1LVF 80  
A1LVF H18 H18  H 0 0 N N N N N N 119.921 118.240 130.587 8.071   -11.050 -0.063 H151 A1LVF 81  
A1LVF H19 H19  H 0 0 N N N N N N 121.399 112.144 135.168 2.285   -5.072  -2.865 H162 A1LVF 82  
A1LVF H20 H20  H 0 0 N N N N N N 122.528 113.414 135.751 3.798   -4.430  -2.184 H161 A1LVF 83  
A1LVF H21 H21  H 0 0 N N N N N N 107.743 117.311 133.085 -18.754 -1.818  -1.130 H172 A1LVF 84  
A1LVF H22 H22  H 0 0 N N N N N N 108.370 115.646 132.834 -19.701 -0.329  -1.366 H171 A1LVF 85  
A1LVF H23 H23  H 0 0 N N N N N N 118.114 122.571 127.051 15.503  4.545   -2.453 H181 A1LVF 86  
A1LVF H24 H24  H 0 0 N N N N N N 116.404 122.099 127.337 16.335  4.646   -0.882 H182 A1LVF 87  
A1LVF H25 H25  H 0 0 N N N N N N 109.085 117.422 135.249 -16.668 -0.570  -1.619 H191 A1LVF 88  
A1LVF H26 H26  H 0 0 N N N N N N 107.772 116.196 135.255 -17.615 0.919   -1.856 H192 A1LVF 89  
A1LVF H27 H27  H 0 0 N N N N N N 117.234 119.602 127.146 13.470  3.689   -1.321 H202 A1LVF 90  
A1LVF H28 H28  H 0 0 N N N N N N 118.762 120.278 126.485 14.301  3.790   0.250  H201 A1LVF 91  
A1LVF H29 H29  H 0 0 N N N N N N 110.545 109.851 135.212 -8.825  0.437   1.698  H211 A1LVF 92  
A1LVF H30 H30  H 0 0 N N N N N N 110.009 111.557 135.044 -9.173  1.587   0.385  H212 A1LVF 93  
A1LVF H31 H31  H 0 0 N N N N N N 112.522 117.419 131.199 5.029   5.192   -1.220 H221 A1LVF 94  
A1LVF H32 H32  H 0 0 N N N N N N 112.621 115.988 130.117 5.549   4.086   0.073  H222 A1LVF 95  
A1LVF H33 H33  H 0 0 N N N N N N 105.676 110.257 134.307 -12.624 1.372   3.522  H231 A1LVF 96  
A1LVF H34 H34  H 0 0 N N N N N N 105.698 110.104 136.097 -12.972 2.522   2.209  H232 A1LVF 97  
A1LVF H35 H35  H 0 0 N N N N N N 113.994 118.534 128.313 8.225   7.903   -0.187 H242 A1LVF 98  
A1LVF H36 H36  H 0 0 N N N N N N 112.886 117.120 128.282 8.745   6.797   1.107  H241 A1LVF 99  
A1LVF H37 H37  H 0 0 N N N N N N 122.310 116.174 129.687 7.089   -9.424  -1.685 H252 A1LVF 100 
A1LVF H38 H38  H 0 0 N N N N N N 123.270 116.691 131.115 5.454   -9.868  -1.140 H251 A1LVF 101 
A1LVF H39 H39  H 0 0 N N N N N N 120.801 117.042 128.242 8.643   -10.328 2.239  H261 A1LVF 102 
A1LVF H40 H40  H 0 0 N N N N N N 120.145 118.603 127.645 7.008   -10.772 2.785  H262 A1LVF 103 
A1LVF H41 H41  H 0 0 N N N N N N 110.241 116.475 131.854 -18.885 -0.183  -3.704 H272 A1LVF 104 
A1LVF H42 H42  H 0 0 N N N N N N 110.636 117.387 133.351 -17.939 -1.671  -3.467 H271 A1LVF 105 
A1LVF H43 H43  H 0 0 N N N N N N 118.037 120.469 129.120 16.047  2.203   -0.572 H281 A1LVF 106 
A1LVF H44 H44  H 0 0 N N N N N N 118.639 122.155 129.268 15.216  2.101   -2.143 H282 A1LVF 107 
A1LVF H45 H45  H 0 0 N N N N N N 110.409 115.093 134.408 -18.430 0.773   0.481  H291 A1LVF 108 
A1LVF H46 H46  H 0 0 N N N N N N 110.426 115.776 136.069 -17.483 -0.716  0.718  H292 A1LVF 109 
A1LVF H47 H47  H 0 0 N N N N N N 117.689 120.125 124.447 14.589  6.233   -0.060 H302 A1LVF 110 
A1LVF H48 H48  H 0 0 N N N N N N 116.849 121.625 124.967 13.758  6.132   -1.631 H301 A1LVF 111 
A1LVF H49 H49  H 0 0 N N N N N N 118.230 114.205 139.638 1.350   -0.388  -0.557 H312 A1LVF 112 
A1LVF H50 H50  H 0 0 N N N N N N 118.876 113.354 138.194 -0.163  -1.031  -1.238 H311 A1LVF 113 
A1LVF H51 H51  H 0 0 N N N N N N 110.261 111.761 137.611 -8.080  3.397   1.681  H321 A1LVF 114 
A1LVF H52 H52  H 0 0 N N N N N N 111.077 110.162 137.575 -7.733  2.247   2.994  H322 A1LVF 115 
A1LVF H53 H53  H 0 0 N N N N N N 112.179 115.125 132.349 4.032   5.233   1.664  H331 A1LVF 116 
A1LVF H54 H54  H 0 0 N N N N N N 113.912 114.794 132.016 3.512   6.340   0.371  H332 A1LVF 117 
A1LVF H55 H55  H 0 0 N N N N N N 120.578 115.067 134.852 4.000   -6.434  -0.739 H342 A1LVF 118 
A1LVF H56 H56  H 0 0 N N N N N N 120.172 113.656 133.817 2.486   -7.077  -1.420 H341 A1LVF 119 
A1LVF H57 H57  H 0 0 N N N N N N 106.558 112.354 136.357 -14.064 0.712   0.913  H352 A1LVF 120 
A1LVF H58 H58  H 0 0 N N N N N N 105.200 112.458 135.186 -13.717 -0.438  2.226  H351 A1LVF 121 
A1LVF H59 H59  H 0 0 N N N N N N 113.393 118.701 126.189 10.262  5.649   -0.484 H362 A1LVF 122 
A1LVF H60 H60  H 0 0 N N N N N N 112.928 116.971 126.047 9.742   6.756   -1.778 H361 A1LVF 123 
A1LVF H61 H61  H 0 0 N N N N N N 120.729 117.064 132.109 5.042   -7.519  -0.460 H371 A1LVF 124 
A1LVF H62 H62  H 0 0 N N N N N N 120.426 115.704 130.975 6.677   -7.075  -1.005 H372 A1LVF 125 
A1LVF H63 H63  H 0 0 N N N N N N 118.026 118.187 128.952 7.419   -13.121 2.105  H382 A1LVF 126 
A1LVF H64 H64  H 0 0 N N N N N N 118.682 116.598 129.475 9.054   -12.677 1.559  H381 A1LVF 127 
A1LVF H65 H65  H 0 0 N N N N N N 110.628 119.091 131.733 -20.025 -2.920  -2.977 H392 A1LVF 128 
A1LVF H66 H66  H 0 0 N N N N N N 108.954 119.192 132.374 -20.972 -1.431  -3.214 H391 A1LVF 129 
A1LVF H67 H67  H 0 0 N N N N N N 116.950 122.086 130.912 17.249  2.957   -3.275 H401 A1LVF 130 
A1LVF H68 H68  H 0 0 N N N N N N 116.074 122.773 129.503 18.081  3.059   -1.704 H402 A1LVF 131 
A1LVF H69 H69  H 0 0 N N N N N N 108.563 114.266 136.737 -15.397 0.532   0.228  H412 A1LVF 132 
A1LVF H70 H70  H 0 0 N N N N N N 109.944 113.319 136.087 -16.344 2.021   -0.009 H411 A1LVF 133 
A1LVF H71 H71  H 0 0 N N N N N N 115.116 120.099 126.118 11.724  5.276   -0.499 H421 A1LVF 134 
A1LVF H72 H72  H 0 0 N N N N N N 115.109 120.071 124.322 12.556  5.377   1.071  H422 A1LVF 135 
A1LVF H73 H73  H 0 0 N N N N N N 117.384 114.323 136.849 -1.186  -1.015  1.020  H432 A1LVF 136 
A1LVF H74 H74  H 0 0 N N N N N N 117.690 115.949 137.547 0.328   -0.373  1.701  H431 A1LVF 137 
A1LVF H75 H75  H 0 0 N N N N N N 112.970 111.032 136.362 -6.380  0.874   1.434  H441 A1LVF 138 
A1LVF H76 H76  H 0 0 N N N N N N 112.024 112.391 135.667 -6.727  2.024   0.121  H442 A1LVF 139 
A1LVF H77 H77  H 0 0 N N N N N N 114.231 117.210 133.193 2.672   4.411   -0.942 H451 A1LVF 140 
A1LVF H78 H78  H 0 0 N N N N N N 112.657 116.784 133.948 3.192   3.304   0.352  H452 A1LVF 141 
A1LVF H79 H79  H 0 0 N N N N N N 123.072 114.095 133.600 3.706   -7.052  -3.769 H461 A1LVF 142 
A1LVF H80 H80  H 0 1 N N N N N N 122.958 115.357 132.008 5.928   -7.871  -3.416 H1   A1LVF 143 
A1LVF H81 H81  H 0 0 N N N N N N 118.763 117.305 126.537 9.626   -11.954 3.862  H482 A1LVF 144 
A1LVF H82 H82  H 0 0 N N N N N N 117.194 116.805 127.257 7.991   -12.398 4.407  H481 A1LVF 145 
A1LVF H83 H83  H 0 0 N N N N N N 108.550 119.233 130.048 -20.156 -1.284  -5.551 H492 A1LVF 146 
A1LVF H84 H84  H 0 0 N N N N N N 108.400 117.477 130.397 -19.210 -2.773  -5.314 H491 A1LVF 147 
A1LVF H85 H85  H 0 0 N N N N N N 114.907 120.791 129.095 17.793  0.615   -1.394 H501 A1LVF 148 
A1LVF H86 H86  H 0 0 N N N N N N 116.122 119.778 129.945 16.961  0.514   -2.965 H502 A1LVF 149 
A1LVF H87 H87  H 0 0 N N N N N N 107.091 112.391 133.210 -15.202 1.102   3.777  H511 A1LVF 150 
A1LVF H88 H88  H 0 0 N N N N N N 115.359 116.316 125.672 10.696  8.719   -0.289 H521 A1LVF 151 
A1LVF H89 H89  H 0 0 N N N N N N 108.605 113.726 133.883 -17.119 1.760   2.504  H531 A1LVF 152 
A1LVF H90 H90  H 0 0 N N N N N N 116.855 117.909 124.829 12.777  7.972   0.628  H541 A1LVF 153 
A1LVF H91 H91  H 0 0 N N N N N N 114.498 114.001 137.313 -1.965  3.090   -0.141 H551 A1LVF 154 
A1LVF H92 H92  H 0 0 N N N N N N 113.463 114.020 139.591 -3.048  3.328   2.702  H562 A1LVF 155 
A1LVF H93 H93  H 0 0 N N N N N N 112.611 115.545 139.172 -3.396  4.478   1.388  H561 A1LVF 156 
A1LVF H94 H94  H 0 0 N N N N N N 113.218 116.748 137.040 -1.072  5.068   1.126  H571 A1LVF 157 
A1LVF H95 H95  H 0 0 N N N N N N 112.721 115.258 136.169 -0.552  3.962   2.420  H572 A1LVF 158 
A1LVF H96 H96  H 0 0 N N N N N N 118.444 114.871 126.394 10.037  -14.303 3.182  H612 A1LVF 159 
A1LVF H97 H97  H 0 0 N N N N N N 119.826 115.293 127.460 9.617   -14.201 4.909  H613 A1LVF 160 
A1LVF H98 H98  H 0 0 N N N N N N 118.258 114.794 128.179 8.402   -14.747 3.727  H611 A1LVF 161 
A1LVF H99 H99  H 0 0 N N N N N N 109.733 117.869 128.316 -21.296 -4.021  -4.825 H622 A1LVF 162 
A1LVF H1A H100 H 0 0 N N N N N N 110.899 118.872 129.243 -22.242 -2.532  -5.062 H623 A1LVF 163 
A1LVF H1B H101 H 0 0 N N N N N N 110.749 117.116 129.592 -21.370 -3.259  -6.432 H621 A1LVF 164 
A1LVF H1C H102 H 0 0 N N N N N N 114.062 120.022 131.284 18.995  1.370   -4.097 H633 A1LVF 165 
A1LVF H1D H103 H 0 0 N N N N N N 115.466 120.795 132.096 19.826  1.471   -2.526 H631 A1LVF 166 
A1LVF H1E H104 H 0 0 N N N N N N 114.250 121.808 131.246 19.350  -0.114  -3.181 H632 A1LVF 167 
# 
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 
A1LVF C30 C42 SING N N 1   
A1LVF C30 C20 SING N N 2   
A1LVF C42 C54 SING N N 3   
A1LVF C54 C52 DOUB N Z 4   
A1LVF C52 C36 SING N N 5   
A1LVF C36 C24 SING N N 6   
A1LVF C20 C18 SING N N 7   
A1LVF C61 C48 SING N N 8   
A1LVF C48 C38 SING N N 9   
A1LVF C18 C28 SING N N 10  
A1LVF C24 C13 SING N N 11  
A1LVF C26 C38 SING N N 12  
A1LVF C26 C15 SING N N 13  
A1LVF C28 C40 SING N N 14  
A1LVF C13 C10 SING N N 15  
A1LVF C62 C49 SING N N 16  
A1LVF C15 C14 SING N N 17  
A1LVF C40 C50 SING N N 18  
A1LVF C50 C63 SING N N 19  
A1LVF C14 C25 SING N N 20  
A1LVF C49 C39 SING N N 21  
A1LVF C10 C22 SING N N 22  
A1LVF C25 C37 SING N N 23  
A1LVF C22 C33 SING N N 24  
A1LVF C37 C47 SING N N 25  
A1LVF C39 C27 SING N N 26  
A1LVF C33 C45 SING N N 27  
A1LVF C47 C46 DOUB N Z 28  
A1LVF C27 C17 SING N N 29  
A1LVF C17 C19 SING N N 30  
A1LVF C46 C34 SING N N 31  
A1LVF C45 C60 SING N N 32  
A1LVF O06 C60 DOUB N N 33  
A1LVF C51 C53 DOUB N Z 34  
A1LVF C51 C35 SING N N 35  
A1LVF C34 C16 SING N N 36  
A1LVF C60 O03 SING N N 37  
A1LVF C53 C41 SING N N 38  
A1LVF C19 C29 SING N N 39  
A1LVF C12 C23 SING N N 40  
A1LVF C12 C09 SING N N 41  
A1LVF C23 C35 SING N N 42  
A1LVF C29 C41 SING N N 43  
A1LVF C16 C08 SING N N 44  
A1LVF C21 C09 SING N N 45  
A1LVF C21 C32 SING N N 46  
A1LVF O03 C57 SING N N 47  
A1LVF C44 C32 SING N N 48  
A1LVF C44 C59 SING N N 49  
A1LVF C57 C55 SING N N 50  
A1LVF C08 C07 SING N N 51  
A1LVF C07 C11 SING N N 52  
A1LVF C55 O01 SING N N 53  
A1LVF C55 C56 SING N N 54  
A1LVF C43 C58 SING N N 55  
A1LVF C43 C31 SING N N 56  
A1LVF C59 O02 SING N N 57  
A1LVF C59 O05 DOUB N N 58  
A1LVF O02 C56 SING N N 59  
A1LVF O01 C58 SING N N 60  
A1LVF C58 O04 DOUB N N 61  
A1LVF C31 C11 SING N N 62  
A1LVF C07 H1  SING N N 63  
A1LVF C07 H2  SING N N 64  
A1LVF C08 H3  SING N N 65  
A1LVF C08 H4  SING N N 66  
A1LVF C09 H5  SING N N 67  
A1LVF C09 H6  SING N N 68  
A1LVF C10 H7  SING N N 69  
A1LVF C10 H8  SING N N 70  
A1LVF C11 H9  SING N N 71  
A1LVF C11 H10 SING N N 72  
A1LVF C12 H11 SING N N 73  
A1LVF C12 H12 SING N N 74  
A1LVF C13 H13 SING N N 75  
A1LVF C13 H14 SING N N 76  
A1LVF C14 H15 SING N N 77  
A1LVF C14 H16 SING N N 78  
A1LVF C15 H17 SING N N 79  
A1LVF C15 H18 SING N N 80  
A1LVF C16 H19 SING N N 81  
A1LVF C16 H20 SING N N 82  
A1LVF C17 H21 SING N N 83  
A1LVF C17 H22 SING N N 84  
A1LVF C18 H23 SING N N 85  
A1LVF C18 H24 SING N N 86  
A1LVF C19 H25 SING N N 87  
A1LVF C19 H26 SING N N 88  
A1LVF C20 H27 SING N N 89  
A1LVF C20 H28 SING N N 90  
A1LVF C21 H29 SING N N 91  
A1LVF C21 H30 SING N N 92  
A1LVF C22 H31 SING N N 93  
A1LVF C22 H32 SING N N 94  
A1LVF C23 H33 SING N N 95  
A1LVF C23 H34 SING N N 96  
A1LVF C24 H35 SING N N 97  
A1LVF C24 H36 SING N N 98  
A1LVF C25 H37 SING N N 99  
A1LVF C25 H38 SING N N 100 
A1LVF C26 H39 SING N N 101 
A1LVF C26 H40 SING N N 102 
A1LVF C27 H41 SING N N 103 
A1LVF C27 H42 SING N N 104 
A1LVF C28 H43 SING N N 105 
A1LVF C28 H44 SING N N 106 
A1LVF C29 H45 SING N N 107 
A1LVF C29 H46 SING N N 108 
A1LVF C30 H47 SING N N 109 
A1LVF C30 H48 SING N N 110 
A1LVF C31 H49 SING N N 111 
A1LVF C31 H50 SING N N 112 
A1LVF C32 H51 SING N N 113 
A1LVF C32 H52 SING N N 114 
A1LVF C33 H53 SING N N 115 
A1LVF C33 H54 SING N N 116 
A1LVF C34 H55 SING N N 117 
A1LVF C34 H56 SING N N 118 
A1LVF C35 H57 SING N N 119 
A1LVF C35 H58 SING N N 120 
A1LVF C36 H59 SING N N 121 
A1LVF C36 H60 SING N N 122 
A1LVF C37 H61 SING N N 123 
A1LVF C37 H62 SING N N 124 
A1LVF C38 H63 SING N N 125 
A1LVF C38 H64 SING N N 126 
A1LVF C39 H65 SING N N 127 
A1LVF C39 H66 SING N N 128 
A1LVF C40 H67 SING N N 129 
A1LVF C40 H68 SING N N 130 
A1LVF C41 H69 SING N N 131 
A1LVF C41 H70 SING N N 132 
A1LVF C42 H71 SING N N 133 
A1LVF C42 H72 SING N N 134 
A1LVF C43 H73 SING N N 135 
A1LVF C43 H74 SING N N 136 
A1LVF C44 H75 SING N N 137 
A1LVF C44 H76 SING N N 138 
A1LVF C45 H77 SING N N 139 
A1LVF C45 H78 SING N N 140 
A1LVF C46 H79 SING N N 141 
A1LVF C47 H80 SING N N 142 
A1LVF C48 H81 SING N N 143 
A1LVF C48 H82 SING N N 144 
A1LVF C49 H83 SING N N 145 
A1LVF C49 H84 SING N N 146 
A1LVF C50 H85 SING N N 147 
A1LVF C50 H86 SING N N 148 
A1LVF C51 H87 SING N N 149 
A1LVF C52 H88 SING N N 150 
A1LVF C53 H89 SING N N 151 
A1LVF C54 H90 SING N N 152 
A1LVF C55 H91 SING N N 153 
A1LVF C56 H92 SING N N 154 
A1LVF C56 H93 SING N N 155 
A1LVF C57 H94 SING N N 156 
A1LVF C57 H95 SING N N 157 
A1LVF C61 H96 SING N N 158 
A1LVF C61 H97 SING N N 159 
A1LVF C61 H98 SING N N 160 
A1LVF C62 H99 SING N N 161 
A1LVF C62 H1A SING N N 162 
A1LVF C62 H1B SING N N 163 
A1LVF C63 H1C SING N N 164 
A1LVF C63 H1D SING N N 165 
A1LVF C63 H1E SING N N 166 
# 
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 
A1LVF InChI            InChI                1.06  "InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-30,54H,4-24,31-53H2,1-3H3/b28-25-,29-26-,30-27-" 
A1LVF InChIKey         InChI                1.06  PHYFQTYBJUILEZ-IUPFWZBJSA-N                                                                                                                                                                                                                                   
A1LVF SMILES_CANONICAL CACTVS               3.385 "CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC"                                                                                                                                                                    
A1LVF SMILES           CACTVS               3.385 "CCCCCCCCC=CCCCCCCCC(=O)OC[CH](COC(=O)CCCCCCCC=CCCCCCCCC)OC(=O)CCCCCCCC=CCCCCCCCC"                                                                                                                                                                            
A1LVF SMILES_CANONICAL "OpenEye OEToolkits" 2.0.7 "CCCCCCCC/C=C\CCCCCCCC(=O)OCC(OC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC"                                                                                                                                                                         
A1LVF SMILES           "OpenEye OEToolkits" 2.0.7 "CCCCCCCCC=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCCCCCCCC)OC(=O)CCCCCCCC=CCCCCCCCC"                                                                                                                                                                               
# 
_pdbx_chem_comp_identifier.comp_id           A1LVF 
_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        "2,3-bis[[(~{Z})-octadec-9-enoyl]oxy]propyl (~{Z})-octadec-9-enoate" 
# 
_pdbx_chem_comp_synonyms.ordinal      1 
_pdbx_chem_comp_synonyms.comp_id      A1LVF 
_pdbx_chem_comp_synonyms.name         "Glyceryl trioleate" 
_pdbx_chem_comp_synonyms.provenance   PUBCHEM 
_pdbx_chem_comp_synonyms.type         ? 
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
A1LVF "Create component" 2023-12-20 PDBJ 
A1LVF "Initial release"  2025-11-05 RCSB 
# 
