data_QSR # _chem_comp.id QSR _chem_comp.name ;(9Z,21R,24R,30R,33R,44Z)-24,27,30-trihydroxy-18,24,30,36-tetraoxo-19,23,25,29,31,35-hexaoxa-24lambda~5~,30lambda~5~-dip hosphatripentaconta-9,44-diene-21,33-diyl (9Z,9'Z)di-octadec-9-enoate ; _chem_comp.type NON-POLYMER _chem_comp.pdbx_type HETAIN _chem_comp.formula "C81 H150 O17 P2" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms tetraoleyl-cardiolipin _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 2019-12-20 _chem_comp.pdbx_modified_date 2020-06-17 _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 1457.995 _chem_comp.one_letter_code ? _chem_comp.three_letter_code QSR _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 6V8Q _chem_comp.pdbx_subcomponent_list ? _chem_comp.pdbx_processing_site RCSB # # 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.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 QSR O1 O1 O 0 1 N N N 108.652 -41.306 373.448 7.071 2.793 -0.709 O1 QSR 1 QSR P1 P1 P 0 1 N N N 112.072 -40.134 375.293 4.013 7.724 0.118 P1 QSR 2 QSR O2 O2 O 0 1 N N N 108.017 -39.233 374.307 7.020 4.560 0.616 O2 QSR 3 QSR P2 P2 P 0 1 N N N 110.336 -40.475 369.071 -3.780 7.722 0.711 P2 QSR 4 QSR O3 O3 O 0 1 N N N 106.815 -37.823 376.895 9.278 4.389 -1.194 O3 QSR 5 QSR O4 O4 O 0 1 N N N 107.489 -36.529 378.704 11.188 5.476 -1.425 O4 QSR 6 QSR O5 O5 O 0 1 N N N 110.594 -39.687 374.849 5.057 6.530 -0.158 O5 QSR 7 QSR O6 O6 O 0 1 N N N 111.967 -40.947 376.563 4.155 8.756 -0.933 O6 QSR 8 QSR C7 C7 C 0 1 N N N 100.486 -40.561 375.199 6.384 -4.899 3.637 C7 QSR 9 QSR O7 O7 O 0 1 N N N 112.908 -38.888 375.554 4.316 8.380 1.557 O7 QSR 10 QSR C8 C8 C 0 1 N N N 101.666 -39.747 375.795 6.528 -3.946 2.449 C8 QSR 11 QSR O8 O8 O 0 1 N N N 112.699 -41.032 374.110 2.513 7.141 0.099 O8 QSR 12 QSR C9 C9 C 0 1 N N N 102.908 -40.649 376.035 6.538 -2.501 2.952 C9 QSR 13 QSR O9 O9 O 0 1 N N N 110.287 -40.183 372.829 -0.000 6.481 -1.129 O9 QSR 14 QSR C01 C01 C 0 1 N N N 101.295 -35.845 372.269 -19.610 -1.587 3.260 C01 QSR 15 QSR C02 C02 C 0 1 N N N 100.099 -34.875 372.298 -20.405 -2.859 3.562 C02 QSR 16 QSR C03 C03 C 0 1 N N N 99.703 -34.504 370.857 -20.153 -3.891 2.461 C03 QSR 17 QSR C04 C04 C 0 1 N N N 98.514 -33.525 370.888 -20.948 -5.163 2.763 C04 QSR 18 QSR C05 C05 C 0 1 N N N 98.914 -32.255 371.661 -20.695 -6.196 1.662 C05 QSR 19 QSR C06 C06 C 0 1 N N N 99.199 -32.615 373.131 -21.490 -7.468 1.963 C06 QSR 20 QSR C07 C07 C 0 1 N N N 100.307 -31.696 373.678 -21.237 -8.500 0.863 C07 QSR 21 QSR C08 C08 C 0 1 N N N 100.732 -32.180 375.077 -22.033 -9.772 1.164 C08 QSR 22 QSR C09 C09 C 0 1 N N N 116.540 -43.369 370.491 -8.612 -5.629 -6.279 C09 QSR 23 QSR C10 C10 C 0 1 N N N 103.924 -40.485 374.884 6.681 -1.548 1.764 C10 QSR 24 QSR O10 O10 O 0 1 N N N 110.023 -41.491 370.308 -2.299 7.139 0.465 O10 QSR 25 QSR C11 C11 C 0 1 N N N 104.196 -41.821 374.175 6.692 -0.103 2.267 C11 QSR 26 QSR O11 O11 O 0 1 N N N 109.596 -39.201 369.394 -3.792 8.532 1.950 O11 QSR 27 QSR C12 C12 C 0 1 N N N 105.676 -41.834 373.683 6.835 0.850 1.079 C12 QSR 28 QSR O12 O12 O 0 1 N N N 111.820 -40.196 368.934 -4.207 8.645 -0.537 O12 QSR 29 QSR C13 C13 C 0 1 N N N 106.628 -41.412 374.818 6.846 2.295 1.583 C13 QSR 30 QSR O13 O13 O 0 1 N N N 109.779 -41.053 367.657 -4.820 6.502 0.857 O13 QSR 31 QSR C14 C14 C 0 1 N N N 107.848 -40.686 374.140 6.987 3.234 0.413 C14 QSR 32 QSR O14 O14 O 0 1 N N N 106.823 -39.526 365.525 -8.967 4.220 1.886 O14 QSR 33 QSR C15 C15 C 0 1 N N R 108.492 -38.792 375.571 7.158 5.404 -0.557 C15 QSR 34 QSR O15 O15 O 0 1 N N N 105.023 -39.912 364.113 -10.819 5.250 2.514 O15 QSR 35 QSR C16 C16 C 0 1 N N N 107.848 -37.475 375.951 8.642 5.645 -0.840 C16 QSR 36 QSR O16 O16 O 0 1 N N N 110.043 -41.126 364.745 -6.896 4.727 -0.077 O16 QSR 37 QSR C17 C17 C 0 1 N N N 106.584 -36.841 377.949 10.590 4.427 -1.474 C17 QSR 38 QSR O17 O17 O 0 1 N N N 111.284 -39.803 363.280 -6.858 2.737 0.883 O17 QSR 39 QSR C18 C18 C 0 1 N N N 105.150 -36.229 378.086 11.318 3.162 -1.849 C18 QSR 40 QSR C19 C19 C 0 1 N N N 104.261 -36.824 376.936 12.790 3.481 -2.116 C19 QSR 41 QSR C20 C20 C 0 1 N N N 102.741 -36.753 377.279 13.529 2.197 -2.497 C20 QSR 42 QSR C21 C21 C 0 1 N N N 102.214 -35.314 377.034 15.002 2.515 -2.764 C21 QSR 43 QSR C22 C22 C 0 1 N N N 100.768 -35.226 377.593 15.741 1.231 -3.145 C22 QSR 44 QSR C23 C23 C 0 1 N N N 115.829 -44.606 371.070 -8.558 -6.446 -7.572 C23 QSR 45 QSR C24 C24 C 0 1 N N N 115.655 -44.433 372.591 -9.522 -5.845 -8.596 C24 QSR 46 QSR C25 C25 C 0 1 N N N 116.443 -45.533 373.327 -9.467 -6.661 -9.889 C25 QSR 47 QSR C26 C26 C 0 1 N N N 115.592 -46.090 374.483 -10.432 -6.060 -10.913 C26 QSR 48 QSR C27 C27 C 0 1 N N N 116.292 -47.319 375.091 -10.377 -6.876 -12.206 C27 QSR 49 QSR C28 C28 C 0 1 N N N 109.990 -38.578 375.518 6.462 6.744 -0.307 C28 QSR 50 QSR C29 C29 C 0 1 N N N 112.764 -40.523 372.772 1.354 7.969 0.210 C29 QSR 51 QSR C30 C30 C 0 1 N N N 111.395 -40.487 372.019 0.097 7.098 0.156 C30 QSR 52 QSR C31 C31 C 0 1 N N N 111.065 -41.792 371.265 -1.137 7.969 0.399 C31 QSR 53 QSR C32 C32 C 0 1 N N N 108.989 -40.188 366.814 -6.198 6.689 1.186 C32 QSR 54 QSR C33 C33 C 0 1 N N R 108.826 -40.795 365.431 -6.897 5.330 1.244 C33 QSR 55 QSR C34 C34 C 0 1 N N N 107.863 -39.941 364.602 -8.340 5.518 1.717 C34 QSR 56 QSR C35 C35 C 0 1 N N N 105.481 -40.000 365.254 -10.244 4.209 2.299 C35 QSR 57 QSR C36 C36 C 0 1 N N N 104.635 -40.587 366.430 -10.962 2.898 2.497 C36 QSR 58 QSR C37 C37 C 0 1 N N N 105.166 -40.156 367.851 -12.393 3.166 2.968 C37 QSR 59 QSR C38 C38 C 0 1 N N N 103.986 -40.116 368.888 -13.121 1.836 3.169 C38 QSR 60 QSR C39 C39 C 0 1 N N N 104.449 -39.640 370.296 -14.552 2.103 3.640 C39 QSR 61 QSR C40 C40 C 0 1 N N N 105.144 -38.232 370.180 -15.280 0.773 3.840 C40 QSR 62 QSR C41 C41 C 0 1 N N N 105.180 -37.506 371.557 -16.711 1.041 4.311 C41 QSR 63 QSR C42 C42 C 0 1 N N N 103.963 -36.500 371.578 -17.439 -0.290 4.512 C42 QSR 64 QSR C43 C43 C 0 1 N N N 103.919 -35.639 372.875 -18.848 -0.026 4.976 C43 QSR 65 QSR C44 C44 C 0 1 N N N 102.407 -35.316 373.194 -19.859 -0.570 4.344 C44 QSR 66 QSR C45 C45 C 0 1 N N N 117.611 -46.881 375.755 -11.342 -6.275 -13.230 C45 QSR 67 QSR C46 C46 C 0 1 N N N 111.109 -40.226 364.416 -6.875 3.387 -0.136 C46 QSR 68 QSR C47 C47 C 0 1 N N N 112.093 -39.909 365.541 -6.872 2.691 -1.473 C47 QSR 69 QSR C48 C48 C 0 1 N N N 112.318 -41.285 366.203 -6.846 1.176 -1.260 C48 QSR 70 QSR C49 C49 C 0 1 N N N 113.749 -41.410 366.772 -6.844 0.470 -2.617 C49 QSR 71 QSR C50 C50 C 0 1 N N N 114.572 -42.401 365.896 -6.818 -1.045 -2.403 C50 QSR 72 QSR C51 C51 C 0 1 N N N 116.077 -42.161 366.215 -6.815 -1.751 -3.761 C51 QSR 73 QSR C52 C52 C 0 1 N N N 116.314 -42.541 367.717 -6.790 -3.266 -3.547 C52 QSR 74 QSR C53 C53 C 0 1 N N N 116.780 -41.277 368.514 -6.787 -3.972 -4.905 C53 QSR 75 QSR C54 C54 C 0 1 N N N 115.717 -40.969 369.639 -6.762 -5.464 -4.694 C54 QSR 76 QSR C55 C55 C 0 1 N N N 115.641 -42.131 370.663 -7.662 -6.222 -5.270 C55 QSR 77 QSR C56 C56 C 0 1 N N N 118.125 -48.009 376.669 -11.287 -7.091 -14.523 C56 QSR 78 QSR C57 C57 C 0 1 N N N 100.042 -41.637 376.208 6.374 -6.322 3.141 C57 QSR 79 QSR C58 C58 C 0 1 N N N 98.616 -42.105 375.864 7.196 -7.201 3.657 C58 QSR 80 QSR C59 C59 C 0 1 N N N 97.874 -41.494 374.660 8.035 -6.836 4.854 C59 QSR 81 QSR C60 C60 C 0 1 N N N 97.490 -42.611 373.672 7.821 -7.871 5.961 C60 QSR 82 QSR C61 C61 C 0 1 N N N 96.246 -42.181 372.872 8.673 -7.500 7.177 C61 QSR 83 QSR C62 C62 C 0 1 N N N 96.608 -41.002 371.951 8.459 -8.534 8.284 C62 QSR 84 QSR C63 C63 C 0 1 N N N 95.619 -40.946 370.773 9.311 -8.164 9.500 C63 QSR 85 QSR C64 C64 C 0 1 N N N 94.386 -40.116 371.177 9.097 -9.198 10.607 C64 QSR 86 QSR C65 C65 C 0 1 N N N 93.201 -41.059 371.455 9.949 -8.827 11.823 C65 QSR 87 QSR C66 C66 C 0 1 N N N 91.991 -40.625 370.606 9.735 -9.862 12.929 C66 QSR 88 QSR C67 C67 C 0 1 N N N 100.367 -33.748 377.751 17.213 1.550 -3.412 C67 QSR 89 QSR C68 C68 C 0 1 N N N 99.003 -33.660 378.462 17.952 0.265 -3.793 C68 QSR 90 QSR C69 C69 C 0 1 N N N 98.630 -32.181 378.676 19.402 0.579 -4.056 C69 QSR 91 QSR C70 C70 C 0 1 N N N 97.263 -32.095 379.380 20.341 -0.083 -3.426 C70 QSR 92 QSR C71 C71 C 0 1 N N N 96.505 -33.383 379.750 19.979 -1.267 -2.566 C71 QSR 93 QSR C72 C72 C 0 1 N N N 95.139 -33.396 379.040 20.824 -2.474 -2.978 C72 QSR 94 QSR C73 C73 C 0 1 N N N 94.602 -34.838 378.984 20.458 -3.675 -2.104 C73 QSR 95 QSR C74 C74 C 0 1 N N N 93.247 -34.852 378.251 21.302 -4.883 -2.516 C74 QSR 96 QSR C75 C75 C 0 1 N N N 92.714 -36.295 378.185 20.935 -6.084 -1.643 C75 QSR 97 QSR C76 C76 C 0 1 N N N 91.360 -36.308 377.450 21.780 -7.291 -2.055 C76 QSR 98 QSR C77 C77 C 0 1 N N N 90.355 -35.426 378.213 21.413 -8.492 -1.181 C77 QSR 99 QSR C78 C78 C 0 1 N N N 89.031 -36.193 378.390 22.258 -9.700 -1.593 C78 QSR 100 QSR H7 H7 H 0 1 N N N 99.644 -39.885 374.989 7.222 -4.758 4.319 H7 QSR 101 QSR H7A H7A H 0 1 N N N 100.809 -41.045 374.266 5.451 -4.690 4.160 H7A QSR 102 QSR H8 H8 H 0 1 N N N 101.937 -38.943 375.095 7.461 -4.155 1.926 H8 QSR 103 QSR H8A H8A H 0 1 N N N 101.351 -39.308 376.753 5.689 -4.087 1.766 H8A QSR 104 QSR H9 H9 H 0 1 N N N 103.386 -40.363 376.984 5.605 -2.292 3.475 H9 QSR 105 QSR H9A H9A H 0 1 N N N 102.588 -41.700 376.088 7.376 -2.360 3.635 H9A QSR 106 QSR HO9 HO9 H 0 1 N N N 109.728 -40.948 372.901 -0.056 7.107 -1.863 HO9 QSR 107 QSR H01 H01 H 0 1 N N N 100.971 -36.837 372.616 -18.547 -1.824 3.221 H01 QSR 108 QSR H01A H01A H 0 0 N N N 101.679 -35.923 371.241 -19.927 -1.180 2.300 H01A QSR 109 QSR H02 H02 H 0 1 N N N 99.247 -35.358 372.799 -20.088 -3.267 4.522 H02 QSR 110 QSR H02A H02A H 0 0 N N N 100.379 -33.964 372.847 -21.468 -2.622 3.601 H02A QSR 111 QSR H03 H03 H 0 1 N N N 100.557 -34.028 370.353 -20.469 -3.484 1.501 H03 QSR 112 QSR H03A H03A H 0 0 N N N 99.415 -35.414 370.310 -19.089 -4.128 2.422 H03A QSR 113 QSR H04 H04 H 0 1 N N N 98.235 -33.255 369.859 -20.631 -5.571 3.722 H04 QSR 114 QSR H04A H04A H 0 0 N N N 97.658 -34.003 371.387 -22.011 -4.927 2.802 H04A QSR 115 QSR H05 H05 H 0 1 N N N 99.817 -31.820 371.209 -21.012 -5.788 0.702 H05 QSR 116 QSR H05A H05A H 0 0 N N N 98.093 -31.524 371.615 -19.632 -6.432 1.623 H05A QSR 117 QSR H06 H06 H 0 1 N N N 98.284 -32.480 373.726 -21.173 -7.875 2.923 H06 QSR 118 QSR H06A H06A H 0 0 N N N 99.527 -33.663 373.195 -22.553 -7.231 2.002 H06A QSR 119 QSR H07 H07 H 0 1 N N N 101.174 -31.724 373.001 -21.555 -8.092 -0.097 H07 QSR 120 QSR H07A H07A H 0 0 N N N 99.928 -30.666 373.746 -20.174 -8.737 0.824 H07A QSR 121 QSR H08 H08 H 0 1 N N N 101.523 -31.524 375.468 -21.716 -10.179 2.124 H08 QSR 122 QSR H08A H08A H 0 0 N N N 99.865 -32.152 375.754 -23.096 -9.535 1.203 H08A QSR 123 QSR H08B H08B H 0 0 N N N 101.111 -33.210 375.009 -21.853 -10.507 0.380 H08B QSR 124 QSR H09 H09 H 0 1 N N N 117.489 -43.209 371.023 -8.324 -4.599 -6.488 H09 QSR 125 QSR H09A H09A H 0 0 N N N 116.742 -43.529 369.422 -9.626 -5.649 -5.879 H09A QSR 126 QSR H10 H10 H 0 1 N N N 103.522 -39.768 374.153 7.615 -1.757 1.241 H10 QSR 127 QSR H10A H10A H 0 0 N N N 104.869 -40.100 375.294 5.843 -1.689 1.082 H10A QSR 128 QSR H11 H11 H 0 1 N N N 104.032 -42.652 374.876 5.759 0.106 2.790 H11 QSR 129 QSR H11A H11A H 0 0 N N N 103.519 -41.928 373.315 7.530 0.038 2.950 H11A QSR 130 QSR H12 H12 H 0 1 N N N 105.938 -42.849 373.350 7.769 0.641 0.557 H12 QSR 131 QSR H12A H12A H 0 0 N N N 105.784 -41.134 372.842 5.997 0.709 0.397 H12A QSR 132 QSR H13 H13 H 0 1 N N N 106.115 -40.726 375.508 5.912 2.504 2.106 H13 QSR 133 QSR H13A H13A H 0 0 N N N 106.974 -42.298 375.371 7.684 2.436 2.265 H13A QSR 134 QSR H15 H15 H 0 1 N N N 108.264 -39.539 376.346 6.700 4.912 -1.415 H15 QSR 135 QSR H16 H16 H 0 1 N N N 107.414 -36.987 375.066 9.120 6.056 0.050 H16 QSR 136 QSR H16A H16A H 0 0 N N N 108.586 -36.804 376.415 8.745 6.349 -1.666 H16A QSR 137 QSR H18 H18 H 0 1 N N N 104.722 -36.494 379.064 11.244 2.444 -1.032 H18 QSR 138 QSR H18A H18A H 0 0 N N N 105.200 -35.134 377.992 10.870 2.738 -2.747 H18A QSR 139 QSR H19 H19 H 0 1 N N N 104.444 -36.253 376.014 12.864 4.199 -2.933 H19 QSR 140 QSR H19A H19A H 0 0 N N N 104.541 -37.876 376.778 13.239 3.905 -1.218 H19A QSR 141 QSR H20 H20 H 0 1 N N N 102.189 -37.458 376.640 13.455 1.479 -1.680 H20 QSR 142 QSR H20A H20A H 0 0 N N N 102.592 -37.022 378.335 13.081 1.772 -3.395 H20A QSR 143 QSR H21 H21 H 0 1 N N N 102.858 -34.588 377.552 15.076 3.233 -3.581 H21 QSR 144 QSR H21A H21A H 0 0 N N N 102.210 -35.097 375.956 15.450 2.940 -1.866 H21A QSR 145 QSR H22 H22 H 0 1 N N N 100.075 -35.721 376.897 15.667 0.513 -2.328 H22 QSR 146 QSR H22A H22A H 0 0 N N N 100.723 -35.725 378.572 15.292 0.806 -4.043 H22A QSR 147 QSR H23 H23 H 0 1 N N N 114.841 -44.716 370.598 -7.544 -6.426 -7.972 H23 QSR 148 QSR H23A H23A H 0 0 N N N 116.433 -45.503 370.870 -8.846 -7.476 -7.363 H23A QSR 149 QSR H24 H24 H 0 1 N N N 116.034 -43.446 372.893 -10.536 -5.865 -8.196 H24 QSR 150 QSR H24A H24A H 0 0 N N N 114.589 -44.511 372.849 -9.234 -4.814 -8.805 H24A QSR 151 QSR H25 H25 H 0 1 N N N 116.683 -46.345 372.624 -8.454 -6.641 -10.289 H25 QSR 152 QSR H25A H25A H 0 0 N N N 117.375 -45.109 373.729 -9.755 -7.692 -9.680 H25A QSR 153 QSR H26 H26 H 0 1 N N N 115.473 -45.317 375.256 -11.446 -6.080 -10.513 H26 QSR 154 QSR H26A H26A H 0 0 N N N 114.603 -46.383 374.102 -10.144 -5.029 -11.122 H26A QSR 155 QSR H27 H27 H 0 1 N N N 115.637 -47.779 375.845 -9.364 -6.856 -12.606 H27 QSR 156 QSR H27A H27A H 0 0 N N N 116.506 -48.050 374.297 -10.665 -7.907 -11.997 H27A QSR 157 QSR H28 H28 H 0 1 N N N 110.388 -38.502 376.541 6.641 7.409 -1.151 H28 QSR 158 QSR H28A H28A H 0 0 N N N 110.211 -37.651 374.969 6.860 7.195 0.603 H28A QSR 159 QSR H29 H29 H 0 1 N N N 113.159 -39.497 372.815 1.382 8.509 1.156 H29 QSR 160 QSR H29A H29A H 0 0 N N N 113.454 -41.158 372.197 1.337 8.682 -0.615 H29A QSR 161 QSR H30 H30 H 0 1 N N N 111.485 -39.701 371.255 0.156 6.328 0.926 H30 QSR 162 QSR H31 H31 H 0 1 N N N 110.714 -42.557 371.974 -1.246 8.681 -0.418 H31 QSR 163 QSR H31A H31A H 0 0 N N N 111.960 -42.160 370.742 -1.022 8.508 1.339 H31A QSR 164 QSR H32 H32 H 0 1 N N N 107.996 -40.049 367.267 -6.277 7.180 2.156 H32 QSR 165 QSR H32A H32A H 0 0 N N N 109.491 -39.213 366.724 -6.672 7.309 0.425 H32A QSR 166 QSR H33 H33 H 0 1 N N N 108.298 -41.746 365.593 -6.369 4.678 1.941 H33 QSR 167 QSR H34 H34 H 0 1 N N N 107.434 -40.533 363.780 -8.893 6.095 0.976 H34 QSR 168 QSR H34A H34A H 0 0 N N N 108.384 -39.064 364.190 -8.344 6.050 2.668 H34A QSR 169 QSR H36 H36 H 0 1 N N N 103.598 -40.237 366.323 -10.986 2.352 1.554 H36 QSR 170 QSR H36A H36A H 0 0 N N N 104.660 -41.685 366.365 -10.437 2.306 3.247 H36A QSR 171 QSR H37 H37 H 0 1 N N N 105.922 -40.879 368.190 -12.368 3.713 3.911 H37 QSR 172 QSR H37A H37A H 0 0 N N N 105.620 -39.157 367.780 -12.917 3.758 2.218 H37A QSR 173 QSR H38 H38 H 0 1 N N N 103.214 -39.426 368.518 -13.145 1.289 2.226 H38 QSR 174 QSR H38A H38A H 0 0 N N N 103.561 -41.127 368.979 -12.596 1.244 3.918 H38A QSR 175 QSR H39 H39 H 0 1 N N N 103.576 -39.563 370.961 -14.528 2.650 4.582 H39 QSR 176 QSR H39A H39A H 0 0 N N N 105.163 -40.367 370.711 -15.076 2.695 2.890 H39A QSR 177 QSR H40 H40 H 0 1 N N N 106.174 -38.369 369.820 -15.304 0.226 2.898 H40 QSR 178 QSR H40A H40A H 0 0 N N N 104.584 -37.614 369.463 -14.755 0.181 4.590 H40A QSR 179 QSR H41 H41 H 0 1 N N N 105.080 -38.237 372.373 -16.687 1.587 5.254 H41 QSR 180 QSR H41A H41A H 0 0 N N N 106.126 -36.957 371.670 -17.236 1.633 3.562 H41A QSR 181 QSR H42 H42 H 0 1 N N N 104.047 -35.828 370.712 -17.463 -0.836 3.569 H42 QSR 182 QSR H42A H42A H 0 0 N N N 103.029 -37.076 371.506 -16.914 -0.882 5.262 H42A QSR 183 QSR H43 H43 H 0 1 N N N 104.773 -35.319 373.454 -19.025 0.611 5.829 H43 QSR 184 QSR H44 H44 H 0 1 N N N 102.152 -34.724 374.061 -20.870 -0.290 4.600 H44 QSR 185 QSR H45 H45 H 0 1 N N N 118.360 -46.669 374.978 -12.356 -6.295 -12.830 H45 QSR 186 QSR H45A H45A H 0 0 N N N 117.437 -45.975 376.354 -11.054 -5.245 -13.439 H45A QSR 187 QSR H47 H47 H 0 1 N N N 113.034 -39.504 365.141 -7.770 2.965 -2.027 H47 QSR 188 QSR H47A H47A H 0 0 N N N 111.660 -39.193 366.255 -5.990 2.993 -2.038 H47A QSR 189 QSR H48 H48 H 0 1 N N N 111.595 -41.410 367.022 -5.949 0.902 -0.706 H48 QSR 190 QSR H48A H48A H 0 0 N N N 112.161 -42.073 365.452 -7.728 0.874 -0.695 H48A QSR 191 QSR H49 H49 H 0 1 N N N 114.234 -40.423 366.763 -7.741 0.744 -3.171 H49 QSR 192 QSR H49A H49A H 0 0 N N N 113.701 -41.786 367.805 -5.962 0.772 -3.182 H49A QSR 193 QSR H50 H50 H 0 1 N N N 114.296 -43.438 366.140 -5.920 -1.319 -1.849 H50 QSR 194 QSR H50A H50A H 0 0 N N N 114.378 -42.211 364.830 -7.700 -1.347 -1.839 H50A QSR 195 QSR H51 H51 H 0 1 N N N 116.702 -42.792 365.566 -7.713 -1.477 -4.315 H51 QSR 196 QSR H51A H51A H 0 0 N N N 116.330 -41.103 366.052 -5.933 -1.449 -4.326 H51A QSR 197 QSR H52 H52 H 0 1 N N N 115.377 -42.921 368.150 -5.892 -3.540 -2.993 H52 QSR 198 QSR H52A H52A H 0 0 N N N 117.089 -43.319 367.779 -7.672 -3.568 -2.982 H52A QSR 199 QSR H53 H53 H 0 1 N N N 117.760 -41.470 368.974 -7.685 -3.698 -5.458 H53 QSR 200 QSR H53A H53A H 0 0 N N N 116.857 -40.417 367.832 -5.905 -3.670 -5.469 H53A QSR 201 QSR H54 H54 H 0 1 N N N 115.122 -40.069 369.689 -6.002 -5.909 -4.069 H54 QSR 202 QSR H55 H55 H 0 1 N N N 114.957 -42.072 371.497 -7.724 -7.271 -5.022 H55 QSR 203 QSR H56 H56 H 0 1 N N N 119.067 -47.697 377.143 -10.273 -7.071 -14.923 H56 QSR 204 QSR H56A H56A H 0 0 N N N 117.376 -48.221 377.446 -11.575 -8.122 -14.314 H56A QSR 205 QSR H56B H56B H 0 0 N N N 118.299 -48.915 376.070 -11.974 -6.663 -15.252 H56B QSR 206 QSR H57 H57 H 0 1 N N N 100.638 -42.006 377.029 5.688 -6.617 2.360 H57 QSR 207 QSR H58 H58 H 0 1 N N N 98.136 -42.862 376.467 7.273 -8.188 3.224 H58 QSR 208 QSR H59 H59 H 0 1 N N N 96.964 -40.985 375.010 9.087 -6.821 4.570 H59 QSR 209 QSR H59A H59A H 0 0 N N N 98.529 -40.768 374.156 7.742 -5.851 5.216 H59A QSR 210 QSR H60 H60 H 0 1 N N N 98.326 -42.793 372.981 6.769 -7.886 6.246 H60 QSR 211 QSR H60A H60A H 0 0 N N N 97.267 -43.533 374.229 8.114 -8.856 5.599 H60A QSR 212 QSR H61 H61 H 0 1 N N N 95.892 -43.026 372.263 9.725 -7.485 6.892 H61 QSR 213 QSR H61A H61A H 0 0 N N N 95.452 -41.872 373.568 8.380 -6.514 7.539 H61A QSR 214 QSR H62 H62 H 0 1 N N N 96.553 -40.062 372.520 7.407 -8.550 8.569 H62 QSR 215 QSR H62A H62A H 0 0 N N N 97.629 -41.138 371.566 8.752 -9.520 7.922 H62A QSR 216 QSR H63 H63 H 0 1 N N N 96.108 -40.478 369.906 10.363 -8.148 9.215 H63 QSR 217 QSR H63A H63A H 0 0 N N N 95.304 -41.967 370.510 9.018 -7.178 9.862 H63A QSR 218 QSR H64 H64 H 0 1 N N N 94.615 -39.537 372.084 8.045 -9.213 10.891 H64 QSR 219 QSR H64A H64A H 0 0 N N N 94.123 -39.428 370.360 9.390 -10.183 10.245 H64A QSR 220 QSR H65 H65 H 0 1 N N N 93.483 -42.089 371.193 11.001 -8.812 11.538 H65 QSR 221 QSR H65A H65A H 0 0 N N N 92.937 -41.012 372.522 9.656 -7.842 12.184 H65A QSR 222 QSR H66 H66 H 0 1 N N N 91.144 -41.298 370.804 8.683 -9.877 13.214 H66 QSR 223 QSR H66A H66A H 0 0 N N N 91.710 -39.594 370.869 10.028 -10.847 12.567 H66A QSR 224 QSR H66B H66B H 0 0 N N N 92.256 -40.672 369.539 10.342 -9.598 13.796 H66B QSR 225 QSR H67 H67 H 0 1 N N N 101.127 -33.224 378.349 17.287 2.267 -4.229 H67 QSR 226 QSR H67A H67A H 0 0 N N N 100.294 -33.280 376.758 17.662 1.974 -2.514 H67A QSR 227 QSR H68 H68 H 0 1 N N N 98.235 -34.146 377.843 17.878 -0.452 -2.976 H68 QSR 228 QSR H68A H68A H 0 0 N N N 99.064 -34.167 379.436 17.504 -0.159 -4.691 H68A QSR 229 QSR H69 H69 H 0 1 N N N 99.233 -31.336 378.379 19.668 1.351 -4.763 H69 QSR 230 QSR H70 H70 H 0 1 N N N 96.836 -31.131 379.614 21.373 0.218 -3.524 H70 QSR 231 QSR H71 H71 H 0 1 N N N 97.092 -34.258 379.433 20.173 -1.028 -1.520 H71 QSR 232 QSR H71A H71A H 0 0 N N N 96.353 -33.419 380.839 18.923 -1.501 -2.695 H71A QSR 233 QSR H72 H72 H 0 1 N N N 94.431 -32.763 379.595 20.631 -2.713 -4.024 H72 QSR 234 QSR H72A H72A H 0 0 N N N 95.254 -33.008 378.017 21.881 -2.240 -2.848 H72A QSR 235 QSR H73 H73 H 0 1 N N N 95.318 -35.475 378.444 20.651 -3.436 -1.058 H73 QSR 236 QSR H73A H73A H 0 0 N N N 94.470 -35.220 380.007 19.401 -3.910 -2.234 H73A QSR 237 QSR H74 H74 H 0 1 N N N 92.529 -34.221 378.795 21.109 -5.121 -3.562 H74 QSR 238 QSR H74A H74A H 0 0 N N N 93.378 -34.463 377.231 22.359 -4.648 -2.387 H74A QSR 239 QSR H75 H75 H 0 1 N N N 93.432 -36.927 377.642 21.129 -5.845 -0.597 H75 QSR 240 QSR H75A H75A H 0 0 N N N 92.581 -36.684 379.205 19.879 -6.318 -1.772 H75A QSR 241 QSR H76 H76 H 0 1 N N N 91.492 -35.916 376.431 21.587 -7.530 -3.101 H76 QSR 242 QSR H76A H76A H 0 0 N N N 90.979 -37.339 377.400 22.837 -7.056 -1.925 H76A QSR 243 QSR H77 H77 H 0 1 N N N 90.766 -35.172 379.201 21.607 -8.253 -0.135 H77 QSR 244 QSR H77A H77A H 0 0 N N N 90.171 -34.503 377.644 20.357 -8.727 -1.311 H77A QSR 245 QSR H1 H1 H 0 1 N N N 113.190 -38.880 376.461 4.242 7.760 2.295 H1 QSR 246 QSR H2 H2 H 0 1 N N N 111.984 -39.272 369.080 -4.221 8.179 -1.384 H2 QSR 247 QSR H3 H3 H 0 1 N N N 88.312 -35.564 378.935 22.065 -9.938 -2.639 H3 QSR 248 QSR H5 H5 H 0 1 N N N 88.620 -36.447 377.402 23.315 -9.465 -1.464 H5 QSR 249 QSR H4 H4 H 0 1 N N N 89.215 -37.116 378.959 21.997 -10.555 -0.971 H4 QSR 250 # # 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 QSR O1 C14 DOUB N N 1 QSR P1 O5 SING N N 2 QSR P1 O6 DOUB N N 3 QSR P1 O7 SING N N 4 QSR P1 O8 SING N N 5 QSR O2 C14 SING N N 6 QSR O2 C15 SING N N 7 QSR P2 O10 SING N N 8 QSR P2 O11 DOUB N N 9 QSR P2 O12 SING N N 10 QSR P2 O13 SING N N 11 QSR O3 C16 SING N N 12 QSR O3 C17 SING N N 13 QSR O4 C17 DOUB N N 14 QSR O5 C28 SING N N 15 QSR C7 C8 SING N N 16 QSR C7 C57 SING N N 17 QSR C8 C9 SING N N 18 QSR O8 C29 SING N N 19 QSR C9 C10 SING N N 20 QSR O9 C30 SING N N 21 QSR C01 C02 SING N N 22 QSR C01 C44 SING N N 23 QSR C02 C03 SING N N 24 QSR C03 C04 SING N N 25 QSR C04 C05 SING N N 26 QSR C05 C06 SING N N 27 QSR C06 C07 SING N N 28 QSR C07 C08 SING N N 29 QSR C09 C23 SING N N 30 QSR C09 C55 SING N N 31 QSR C10 C11 SING N N 32 QSR O10 C31 SING N N 33 QSR C11 C12 SING N N 34 QSR C12 C13 SING N N 35 QSR C13 C14 SING N N 36 QSR O13 C32 SING N N 37 QSR O14 C34 SING N N 38 QSR O14 C35 SING N N 39 QSR C15 C16 SING N N 40 QSR C15 C28 SING N N 41 QSR O15 C35 DOUB N N 42 QSR O16 C33 SING N N 43 QSR O16 C46 SING N N 44 QSR C17 C18 SING N N 45 QSR O17 C46 DOUB N N 46 QSR C18 C19 SING N N 47 QSR C19 C20 SING N N 48 QSR C20 C21 SING N N 49 QSR C21 C22 SING N N 50 QSR C22 C67 SING N N 51 QSR C23 C24 SING N N 52 QSR C24 C25 SING N N 53 QSR C25 C26 SING N N 54 QSR C26 C27 SING N N 55 QSR C27 C45 SING N N 56 QSR C29 C30 SING N N 57 QSR C30 C31 SING N N 58 QSR C32 C33 SING N N 59 QSR C33 C34 SING N N 60 QSR C35 C36 SING N N 61 QSR C36 C37 SING N N 62 QSR C37 C38 SING N N 63 QSR C38 C39 SING N N 64 QSR C39 C40 SING N N 65 QSR C40 C41 SING N N 66 QSR C41 C42 SING N N 67 QSR C42 C43 SING N N 68 QSR C43 C44 DOUB N Z 69 QSR C45 C56 SING N N 70 QSR C46 C47 SING N N 71 QSR C47 C48 SING N N 72 QSR C48 C49 SING N N 73 QSR C49 C50 SING N N 74 QSR C50 C51 SING N N 75 QSR C51 C52 SING N N 76 QSR C52 C53 SING N N 77 QSR C53 C54 SING N N 78 QSR C54 C55 DOUB N Z 79 QSR C57 C58 DOUB N Z 80 QSR C58 C59 SING N N 81 QSR C59 C60 SING N N 82 QSR C60 C61 SING N N 83 QSR C61 C62 SING N N 84 QSR C62 C63 SING N N 85 QSR C63 C64 SING N N 86 QSR C64 C65 SING N N 87 QSR C65 C66 SING N N 88 QSR C67 C68 SING N N 89 QSR C68 C69 SING N N 90 QSR C69 C70 DOUB N Z 91 QSR C70 C71 SING N N 92 QSR C71 C72 SING N N 93 QSR C72 C73 SING N N 94 QSR C73 C74 SING N N 95 QSR C74 C75 SING N N 96 QSR C75 C76 SING N N 97 QSR C76 C77 SING N N 98 QSR C77 C78 SING N N 99 QSR C7 H7 SING N N 100 QSR C7 H7A SING N N 101 QSR C8 H8 SING N N 102 QSR C8 H8A SING N N 103 QSR C9 H9 SING N N 104 QSR C9 H9A SING N N 105 QSR O9 HO9 SING N N 106 QSR C01 H01 SING N N 107 QSR C01 H01A SING N N 108 QSR C02 H02 SING N N 109 QSR C02 H02A SING N N 110 QSR C03 H03 SING N N 111 QSR C03 H03A SING N N 112 QSR C04 H04 SING N N 113 QSR C04 H04A SING N N 114 QSR C05 H05 SING N N 115 QSR C05 H05A SING N N 116 QSR C06 H06 SING N N 117 QSR C06 H06A SING N N 118 QSR C07 H07 SING N N 119 QSR C07 H07A SING N N 120 QSR C08 H08 SING N N 121 QSR C08 H08A SING N N 122 QSR C08 H08B SING N N 123 QSR C09 H09 SING N N 124 QSR C09 H09A SING N N 125 QSR C10 H10 SING N N 126 QSR C10 H10A SING N N 127 QSR C11 H11 SING N N 128 QSR C11 H11A SING N N 129 QSR C12 H12 SING N N 130 QSR C12 H12A SING N N 131 QSR C13 H13 SING N N 132 QSR C13 H13A SING N N 133 QSR C15 H15 SING N N 134 QSR C16 H16 SING N N 135 QSR C16 H16A SING N N 136 QSR C18 H18 SING N N 137 QSR C18 H18A SING N N 138 QSR C19 H19 SING N N 139 QSR C19 H19A SING N N 140 QSR C20 H20 SING N N 141 QSR C20 H20A SING N N 142 QSR C21 H21 SING N N 143 QSR C21 H21A SING N N 144 QSR C22 H22 SING N N 145 QSR C22 H22A SING N N 146 QSR C23 H23 SING N N 147 QSR C23 H23A SING N N 148 QSR C24 H24 SING N N 149 QSR C24 H24A SING N N 150 QSR C25 H25 SING N N 151 QSR C25 H25A SING N N 152 QSR C26 H26 SING N N 153 QSR C26 H26A SING N N 154 QSR C27 H27 SING N N 155 QSR C27 H27A SING N N 156 QSR C28 H28 SING N N 157 QSR C28 H28A SING N N 158 QSR C29 H29 SING N N 159 QSR C29 H29A SING N N 160 QSR C30 H30 SING N N 161 QSR C31 H31 SING N N 162 QSR C31 H31A SING N N 163 QSR C32 H32 SING N N 164 QSR C32 H32A SING N N 165 QSR C33 H33 SING N N 166 QSR C34 H34 SING N N 167 QSR C34 H34A SING N N 168 QSR C36 H36 SING N N 169 QSR C36 H36A SING N N 170 QSR C37 H37 SING N N 171 QSR C37 H37A SING N N 172 QSR C38 H38 SING N N 173 QSR C38 H38A SING N N 174 QSR C39 H39 SING N N 175 QSR C39 H39A SING N N 176 QSR C40 H40 SING N N 177 QSR C40 H40A SING N N 178 QSR C41 H41 SING N N 179 QSR C41 H41A SING N N 180 QSR C42 H42 SING N N 181 QSR C42 H42A SING N N 182 QSR C43 H43 SING N N 183 QSR C44 H44 SING N N 184 QSR C45 H45 SING N N 185 QSR C45 H45A SING N N 186 QSR C47 H47 SING N N 187 QSR C47 H47A SING N N 188 QSR C48 H48 SING N N 189 QSR C48 H48A SING N N 190 QSR C49 H49 SING N N 191 QSR C49 H49A SING N N 192 QSR C50 H50 SING N N 193 QSR C50 H50A SING N N 194 QSR C51 H51 SING N N 195 QSR C51 H51A SING N N 196 QSR C52 H52 SING N N 197 QSR C52 H52A SING N N 198 QSR C53 H53 SING N N 199 QSR C53 H53A SING N N 200 QSR C54 H54 SING N N 201 QSR C55 H55 SING N N 202 QSR C56 H56 SING N N 203 QSR C56 H56A SING N N 204 QSR C56 H56B SING N N 205 QSR C57 H57 SING N N 206 QSR C58 H58 SING N N 207 QSR C59 H59 SING N N 208 QSR C59 H59A SING N N 209 QSR C60 H60 SING N N 210 QSR C60 H60A SING N N 211 QSR C61 H61 SING N N 212 QSR C61 H61A SING N N 213 QSR C62 H62 SING N N 214 QSR C62 H62A SING N N 215 QSR C63 H63 SING N N 216 QSR C63 H63A SING N N 217 QSR C64 H64 SING N N 218 QSR C64 H64A SING N N 219 QSR C65 H65 SING N N 220 QSR C65 H65A SING N N 221 QSR C66 H66 SING N N 222 QSR C66 H66A SING N N 223 QSR C66 H66B SING N N 224 QSR C67 H67 SING N N 225 QSR C67 H67A SING N N 226 QSR C68 H68 SING N N 227 QSR C68 H68A SING N N 228 QSR C69 H69 SING N N 229 QSR C70 H70 SING N N 230 QSR C71 H71 SING N N 231 QSR C71 H71A SING N N 232 QSR C72 H72 SING N N 233 QSR C72 H72A SING N N 234 QSR C73 H73 SING N N 235 QSR C73 H73A SING N N 236 QSR C74 H74 SING N N 237 QSR C74 H74A SING N N 238 QSR C75 H75 SING N N 239 QSR C75 H75A SING N N 240 QSR C76 H76 SING N N 241 QSR C76 H76A SING N N 242 QSR C77 H77 SING N N 243 QSR C77 H77A SING N N 244 QSR O7 H1 SING N N 245 QSR O12 H2 SING N N 246 QSR C78 H3 SING N N 247 QSR C78 H5 SING N N 248 QSR C78 H4 SING N N 249 # # 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 QSR SMILES ACDLabs 12.01 "O=C(OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(=O)(O)OCC(O)COP(=O)(O)OCC(OC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC)CCCCCCC\C=C/CCCCCCCC" QSR InChI InChI 1.03 "InChI=1S/C81H150O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h33-40,75-77,82H,5-32,41-74H2,1-4H3,(H,87,88)(H,89,90)/b37-33-,38-34-,39-35-,40-36-/t76-,77-/m1/s1" QSR InChIKey InChI 1.03 TWHQNHQPSCPQNY-WVRHUKEESA-N QSR SMILES_CANONICAL CACTVS 3.385 "CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](CO[P](O)(=O)OC[C@@H](O)CO[P](O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC" QSR SMILES CACTVS 3.385 "CCCCCCCCC=CCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OC[CH](O)CO[P](O)(=O)OC[CH](COC(=O)CCCCCCCC=CCCCCCCCC)OC(=O)CCCCCCCC=CCCCCCCCC)OC(=O)CCCCCCCC=CCCCCCCCC" QSR SMILES_CANONICAL "OpenEye OEToolkits" 2.0.7 "CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](OC(=O)CCCCCCC/C=C\CCCCCCCC)COP(=O)(OCC(O)COP(=O)(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC)O)O" QSR SMILES "OpenEye OEToolkits" 2.0.7 "CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCC(COP(=O)(O)OCC(COC(=O)CCCCCCCC=CCCCCCCCC)OC(=O)CCCCCCCC=CCCCCCCCC)O)OC(=O)CCCCCCCC=CCCCCCCCC" # # 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 QSR "SYSTEMATIC NAME" ACDLabs 12.01 "(9Z,21R,24R,30R,33R,44Z)-24,27,30-trihydroxy-18,24,30,36-tetraoxo-19,23,25,29,31,35-hexaoxa-24lambda~5~,30lambda~5~-diphosphatripentaconta-9,44-diene-21,33-diyl (9Z,9'Z)di-octadec-9-enoate" QSR "SYSTEMATIC NAME" "OpenEye OEToolkits" 2.0.7 "[(2~{R})-3-[[3-[[(2~{R})-2,3-bis[[(~{Z})-octadec-9-enoyl]oxy]propoxy]-oxidanyl-phosphoryl]oxy-2-oxidanyl-propoxy]-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 QSR "Create component" 2019-12-20 RCSB QSR "Initial release" 2020-03-18 RCSB QSR "Modify synonyms" 2020-06-05 PDBE # _pdbx_chem_comp_synonyms.ordinal 1 _pdbx_chem_comp_synonyms.comp_id QSR _pdbx_chem_comp_synonyms.name tetraoleyl-cardiolipin _pdbx_chem_comp_synonyms.provenance ? _pdbx_chem_comp_synonyms.type ? ##