data_BKR # _chem_comp.id BKR _chem_comp.name Deacetyltaxol _chem_comp.type NON-POLYMER _chem_comp.pdbx_type HETAIN _chem_comp.formula "C45 H49 N O13" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms ? _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 2019-02-14 _chem_comp.pdbx_modified_date 2020-02-21 _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 811.869 _chem_comp.one_letter_code ? _chem_comp.three_letter_code BKR _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 6JBL _chem_comp.pdbx_subcomponent_list ? _chem_comp.pdbx_processing_site PDBJ # # 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 BKR O14 O1 O 0 1 N N N -18.973 108.909 -18.907 -4.420 -1.749 -0.548 O14 BKR 1 BKR C30 C1 C 0 1 N N N -19.152 108.305 -17.847 -4.812 -1.033 0.352 C30 BKR 2 BKR C31 C2 C 0 1 Y N N -19.055 109.024 -16.534 -5.493 -1.623 1.524 C31 BKR 3 BKR C36 C3 C 0 1 Y N N -17.897 109.720 -16.194 -5.688 -3.003 1.599 C36 BKR 4 BKR C35 C4 C 0 1 Y N N -17.813 110.385 -14.966 -6.324 -3.548 2.696 C35 BKR 5 BKR C34 C5 C 0 1 Y N N -18.896 110.351 -14.077 -6.769 -2.729 3.718 C34 BKR 6 BKR C33 C6 C 0 1 Y N N -20.060 109.649 -14.418 -6.580 -1.360 3.649 C33 BKR 7 BKR C32 C7 C 0 1 Y N N -20.138 108.984 -15.648 -5.939 -0.803 2.562 C32 BKR 8 BKR N1 N1 N 0 1 N N N -19.451 107.004 -17.775 -4.621 0.300 0.284 N1 BKR 9 BKR C29 C8 C 0 1 N N S -19.633 106.151 -18.937 -3.941 0.884 -0.874 C29 BKR 10 BKR C37 C9 C 0 1 Y N N -18.313 105.772 -19.490 -4.939 1.117 -1.979 C37 BKR 11 BKR C42 C10 C 0 1 Y N N -17.250 105.467 -18.638 -4.592 0.856 -3.291 C42 BKR 12 BKR C41 C11 C 0 1 Y N N -16.009 105.103 -19.175 -5.508 1.070 -4.304 C41 BKR 13 BKR C40 C12 C 0 1 Y N N -15.830 105.046 -20.564 -6.771 1.545 -4.005 C40 BKR 14 BKR C39 C13 C 0 1 Y N N -16.897 105.347 -21.421 -7.119 1.806 -2.693 C39 BKR 15 BKR C38 C14 C 0 1 Y N N -18.134 105.712 -20.882 -6.205 1.586 -1.679 C38 BKR 16 BKR C28 C15 C 0 1 N N R -20.451 104.932 -18.521 -3.304 2.217 -0.473 C28 BKR 17 BKR O13 O2 O 0 1 N N N -21.815 105.287 -18.287 -4.320 3.111 -0.016 O13 BKR 18 BKR C27 C16 C 0 1 N N N -20.447 103.878 -19.576 -2.305 1.984 0.631 C27 BKR 19 BKR O12 O3 O 0 1 N N N -20.944 104.130 -20.652 -2.496 2.455 1.727 O12 BKR 20 BKR O11 O4 O 0 1 N N N -19.849 102.593 -19.276 -1.204 1.253 0.397 O11 BKR 21 BKR C26 C17 C 0 1 N N S -19.722 101.674 -20.353 -0.265 1.066 1.533 C26 BKR 22 BKR C43 C18 C 0 1 N N N -18.233 101.417 -20.560 0.426 -0.221 1.278 C43 BKR 23 BKR C25 C19 C 0 1 N N N -20.537 100.429 -20.063 0.720 2.249 1.434 C25 BKR 24 BKR C44 C20 C 0 1 N N N -21.846 100.614 -19.330 0.367 3.541 0.707 C44 BKR 25 BKR C24 C21 C 0 1 N N N -20.071 99.209 -20.461 1.849 2.116 2.166 C24 BKR 26 BKR C45 C22 C 0 1 N N N -18.962 99.135 -21.513 2.065 0.815 2.898 C45 BKR 27 BKR C47 C23 C 0 1 N N N -18.496 97.731 -21.972 3.449 0.678 3.529 C47 BKR 28 BKR C46 C24 C 0 1 N N N -19.519 99.668 -22.838 1.054 0.756 4.030 C46 BKR 29 BKR C1 C25 C 0 1 N N S -17.817 99.968 -20.894 1.861 -0.292 1.950 C1 BKR 30 BKR O1 O5 O 0 1 N N N -16.841 100.081 -21.921 1.886 -1.472 2.708 O1 BKR 31 BKR C21 C26 C 0 1 N N R -20.601 97.971 -19.789 2.882 3.290 2.000 C21 BKR 32 BKR O9 O6 O 0 1 N N N -21.537 97.355 -20.688 3.946 3.223 2.986 O9 BKR 33 BKR C20 C27 C 0 1 N N N -19.502 97.032 -19.307 3.454 3.157 0.626 C20 BKR 34 BKR O8 O7 O 0 1 N N N -19.488 95.872 -19.725 3.446 4.233 -0.095 O8 BKR 35 BKR C18 C28 C 0 1 N N S -18.437 97.425 -18.286 3.887 1.874 0.039 C18 BKR 36 BKR C19 C29 C 0 1 N N N -17.388 96.284 -18.372 5.080 1.399 1.015 C19 BKR 37 BKR C17 C30 C 0 1 N N S -19.244 97.341 -16.980 4.729 2.178 -1.206 C17 BKR 38 BKR O7 O8 O 0 1 N N N -19.980 96.118 -16.891 5.636 1.165 -1.517 O7 BKR 39 BKR C16 C31 C 0 1 N N N -18.388 97.404 -15.736 3.779 2.454 -2.390 C16 BKR 40 BKR C15 C32 C 0 1 N N R -17.393 98.548 -15.784 3.077 1.195 -2.789 C15 BKR 41 BKR O6 O9 O 0 1 N N N -16.043 98.094 -15.798 3.919 0.088 -3.178 O6 BKR 42 BKR C14 C33 C 0 1 N N N -15.693 98.823 -16.967 3.626 -0.677 -2.069 C14 BKR 43 BKR C11 C34 C 0 1 N N S -17.138 99.304 -17.085 2.624 0.377 -1.546 C11 BKR 44 BKR O4 O10 O 0 1 N N N -17.181 100.711 -16.841 1.207 -0.108 -1.673 O4 BKR 45 BKR C12 C35 C 0 1 N N N -18.404 101.398 -16.513 0.832 -0.590 -2.868 C12 BKR 46 BKR C13 C36 C 0 1 N N N -18.339 102.878 -16.352 -0.573 -1.094 -3.070 C13 BKR 47 BKR O5 O11 O 0 1 N N N -19.422 100.754 -16.394 1.622 -0.619 -3.782 O5 BKR 48 BKR C10 C37 C 0 1 N N R -17.883 98.901 -18.407 2.955 0.831 -0.169 C10 BKR 49 BKR C2 C38 C 0 1 N N S -17.080 99.347 -19.703 2.977 -0.422 0.813 C2 BKR 50 BKR O2 O12 O 0 1 N N N -16.193 100.462 -19.451 2.664 -1.606 0.086 O2 BKR 51 BKR C3 C39 C 0 1 N N N -14.730 100.394 -19.585 3.218 -2.755 0.522 C3 BKR 52 BKR O3 O13 O 0 1 N N N -14.220 99.498 -20.237 3.947 -2.747 1.494 O3 BKR 53 BKR C4 C40 C 0 1 Y N N -13.860 101.442 -18.922 2.939 -4.023 -0.183 C4 BKR 54 BKR C9 C41 C 0 1 Y N N -12.614 101.758 -19.475 2.107 -4.034 -1.304 C9 BKR 55 BKR C8 C42 C 0 1 Y N N -11.793 102.732 -18.889 1.850 -5.222 -1.957 C8 BKR 56 BKR C7 C43 C 0 1 Y N N -12.223 103.398 -17.731 2.416 -6.400 -1.503 C7 BKR 57 BKR C6 C44 C 0 1 Y N N -13.459 103.086 -17.169 3.242 -6.396 -0.393 C6 BKR 58 BKR C5 C45 C 0 1 Y N N -14.270 102.119 -17.758 3.511 -5.215 0.266 C5 BKR 59 BKR H1 H1 H 0 1 N N N -17.063 109.746 -16.879 -5.341 -3.643 0.802 H1 BKR 60 BKR H2 H2 H 0 1 N N N -16.915 110.924 -14.703 -6.475 -4.615 2.756 H2 BKR 61 BKR H3 H3 H 0 1 N N N -18.834 110.866 -13.130 -7.267 -3.160 4.574 H3 BKR 62 BKR H4 H4 H 0 1 N N N -20.895 109.621 -13.734 -6.931 -0.726 4.450 H4 BKR 63 BKR H5 H5 H 0 1 N N N -21.033 108.441 -15.913 -5.788 0.265 2.511 H5 BKR 64 BKR H6 H6 H 0 1 N N N -19.555 106.594 -16.869 -4.934 0.872 1.002 H6 BKR 65 BKR H7 H7 H 0 1 N N N -20.197 106.700 -19.706 -3.166 0.202 -1.223 H7 BKR 66 BKR H8 H8 H 0 1 N N N -17.384 105.512 -17.567 -3.605 0.486 -3.525 H8 BKR 67 BKR H9 H9 H 0 1 N N N -15.187 104.865 -18.516 -5.236 0.867 -5.329 H9 BKR 68 BKR H10 H10 H 0 1 N N N -14.870 104.770 -20.974 -7.486 1.712 -4.796 H10 BKR 69 BKR H11 H11 H 0 1 N N N -16.764 105.297 -22.492 -8.107 2.172 -2.458 H11 BKR 70 BKR H12 H12 H 0 1 N N N -18.957 105.949 -21.540 -6.476 1.789 -0.654 H12 BKR 71 BKR H13 H13 H 0 1 N N N -20.013 104.517 -17.602 -2.798 2.651 -1.335 H13 BKR 72 BKR H14 H14 H 0 1 N N N -22.336 105.065 -19.050 -4.813 2.788 0.751 H14 BKR 73 BKR H15 H15 H 0 1 N N N -20.117 102.133 -21.271 -0.877 1.173 2.371 H15 BKR 74 BKR H16 H16 H 0 1 N N N -17.713 101.708 -19.635 -0.117 -1.009 1.767 H16 BKR 75 BKR H17 H17 H 0 1 N N N -17.896 102.059 -21.387 0.514 -0.533 0.278 H17 BKR 76 BKR H19 H19 H 0 1 N N N -22.001 101.682 -19.119 -0.643 3.466 0.302 H19 BKR 77 BKR H20 H20 H 0 1 N N N -22.671 100.240 -19.954 0.417 4.377 1.405 H20 BKR 78 BKR H21 H21 H 0 1 N N N -21.819 100.054 -18.384 1.073 3.705 -0.107 H21 BKR 79 BKR H23 H23 H 0 1 N N N -18.057 97.193 -21.119 4.185 0.475 2.751 H23 BKR 80 BKR H24 H24 H 0 1 N N N -19.358 97.166 -22.357 3.708 1.605 4.041 H24 BKR 81 BKR H25 H25 H 0 1 N N N -17.742 97.836 -22.766 3.442 -0.143 4.246 H25 BKR 82 BKR H26 H26 H 0 1 N N N -19.905 100.688 -22.691 1.251 -0.121 4.648 H26 BKR 83 BKR H27 H27 H 0 1 N N N -18.718 99.684 -23.592 1.138 1.656 4.640 H27 BKR 84 BKR H28 H28 H 0 1 N N N -20.334 99.014 -23.183 0.048 0.690 3.616 H28 BKR 85 BKR H29 H29 H 0 1 N N N -16.103 100.587 -21.603 1.761 -2.276 2.187 H29 BKR 86 BKR H30 H30 H 0 1 N N N -21.154 98.299 -18.897 2.311 4.196 2.109 H30 BKR 87 BKR H31 H31 H 0 1 N N N -21.290 96.449 -20.830 4.598 3.932 2.909 H31 BKR 88 BKR H32 H32 H 0 1 N N N -16.571 96.482 -17.663 4.810 1.614 2.049 H32 BKR 89 BKR H33 H33 H 0 1 N N N -17.867 95.326 -18.121 5.241 0.328 0.897 H33 BKR 90 BKR H34 H34 H 0 1 N N N -16.983 96.235 -19.393 5.994 1.935 0.759 H34 BKR 91 BKR H35 H35 H 0 1 N N N -19.944 98.189 -16.960 5.341 3.084 -0.997 H35 BKR 92 BKR H36 H36 H 0 1 N N N -20.025 95.712 -17.749 6.173 1.345 -2.300 H36 BKR 93 BKR H37 H37 H 0 1 N N N -19.042 97.540 -14.862 3.057 3.229 -2.173 H37 BKR 94 BKR H38 H38 H 0 1 N N N -17.836 96.458 -15.637 4.397 2.774 -3.259 H38 BKR 95 BKR H39 H39 H 0 1 N N N -17.579 99.254 -14.962 2.268 1.393 -3.387 H39 BKR 96 BKR H40 H40 H 0 1 N N N -15.357 98.196 -17.806 3.123 -1.592 -2.382 H40 BKR 97 BKR H41 H41 H 0 1 N N N -14.963 99.627 -16.795 4.426 -0.867 -1.466 H41 BKR 98 BKR H42 H42 H 0 1 N N N -19.341 103.266 -16.115 -1.209 -0.274 -3.406 H42 BKR 99 BKR H43 H43 H 0 1 N N N -17.647 103.128 -15.535 -0.572 -1.883 -3.822 H43 BKR 100 BKR H44 H44 H 0 1 N N N -17.981 103.333 -17.287 -0.957 -1.488 -2.130 H44 BKR 101 BKR H45 H45 H 0 1 N N N -18.785 99.531 -18.417 1.985 1.330 0.092 H45 BKR 102 BKR H46 H46 H 0 1 N N N -16.501 98.482 -20.059 3.940 -0.617 1.276 H46 BKR 103 BKR H47 H47 H 0 1 N N N -12.280 101.245 -20.365 1.664 -3.115 -1.658 H47 BKR 104 BKR H48 H48 H 0 1 N N N -10.834 102.969 -19.327 1.207 -5.232 -2.823 H48 BKR 105 BKR H49 H49 H 0 1 N N N -11.597 104.151 -17.276 2.212 -7.327 -2.018 H49 BKR 106 BKR H50 H50 H 0 1 N N N -13.789 103.595 -16.275 3.681 -7.320 -0.044 H50 BKR 107 BKR H51 H51 H 0 1 N N N -15.227 101.885 -17.315 4.160 -5.212 1.130 H51 BKR 108 # # 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 BKR C46 C45 SING N N 1 BKR C47 C45 SING N N 2 BKR O1 C1 SING N N 3 BKR C45 C1 SING N N 4 BKR C45 C24 SING N N 5 BKR C39 C38 DOUB Y N 6 BKR C39 C40 SING Y N 7 BKR C1 C43 SING N N 8 BKR C1 C2 SING N N 9 BKR C38 C37 SING Y N 10 BKR O9 C21 SING N N 11 BKR O12 C27 DOUB N N 12 BKR C40 C41 DOUB Y N 13 BKR C43 C26 SING N N 14 BKR C24 C25 DOUB N N 15 BKR C24 C21 SING N N 16 BKR C26 C25 SING N N 17 BKR C26 O11 SING N N 18 BKR O3 C3 DOUB N N 19 BKR C25 C44 SING N N 20 BKR C21 C20 SING N N 21 BKR O8 C20 DOUB N N 22 BKR C2 O2 SING N N 23 BKR C2 C10 SING N N 24 BKR C3 O2 SING N N 25 BKR C3 C4 SING N N 26 BKR C27 O11 SING N N 27 BKR C27 C28 SING N N 28 BKR C37 C29 SING N N 29 BKR C37 C42 DOUB Y N 30 BKR C9 C4 DOUB Y N 31 BKR C9 C8 SING Y N 32 BKR C20 C18 SING N N 33 BKR C41 C42 SING Y N 34 BKR C29 C28 SING N N 35 BKR C29 N1 SING N N 36 BKR C4 C5 SING Y N 37 BKR O14 C30 DOUB N N 38 BKR C8 C7 DOUB Y N 39 BKR C28 O13 SING N N 40 BKR C10 C18 SING N N 41 BKR C10 C11 SING N N 42 BKR C19 C18 SING N N 43 BKR C18 C17 SING N N 44 BKR C30 N1 SING N N 45 BKR C30 C31 SING N N 46 BKR C5 C6 DOUB Y N 47 BKR C7 C6 SING Y N 48 BKR C11 C14 SING N N 49 BKR C11 O4 SING N N 50 BKR C11 C15 SING N N 51 BKR C17 O7 SING N N 52 BKR C17 C16 SING N N 53 BKR C14 O6 SING N N 54 BKR O4 C12 SING N N 55 BKR C31 C36 DOUB Y N 56 BKR C31 C32 SING Y N 57 BKR C12 O5 DOUB N N 58 BKR C12 C13 SING N N 59 BKR C36 C35 SING Y N 60 BKR O6 C15 SING N N 61 BKR C15 C16 SING N N 62 BKR C32 C33 DOUB Y N 63 BKR C35 C34 DOUB Y N 64 BKR C33 C34 SING Y N 65 BKR C36 H1 SING N N 66 BKR C35 H2 SING N N 67 BKR C34 H3 SING N N 68 BKR C33 H4 SING N N 69 BKR C32 H5 SING N N 70 BKR N1 H6 SING N N 71 BKR C29 H7 SING N N 72 BKR C42 H8 SING N N 73 BKR C41 H9 SING N N 74 BKR C40 H10 SING N N 75 BKR C39 H11 SING N N 76 BKR C38 H12 SING N N 77 BKR C28 H13 SING N N 78 BKR O13 H14 SING N N 79 BKR C26 H15 SING N N 80 BKR C43 H16 SING N N 81 BKR C43 H17 SING N N 82 BKR C44 H19 SING N N 83 BKR C44 H20 SING N N 84 BKR C44 H21 SING N N 85 BKR C47 H23 SING N N 86 BKR C47 H24 SING N N 87 BKR C47 H25 SING N N 88 BKR C46 H26 SING N N 89 BKR C46 H27 SING N N 90 BKR C46 H28 SING N N 91 BKR O1 H29 SING N N 92 BKR C21 H30 SING N N 93 BKR O9 H31 SING N N 94 BKR C19 H32 SING N N 95 BKR C19 H33 SING N N 96 BKR C19 H34 SING N N 97 BKR C17 H35 SING N N 98 BKR O7 H36 SING N N 99 BKR C16 H37 SING N N 100 BKR C16 H38 SING N N 101 BKR C15 H39 SING N N 102 BKR C14 H40 SING N N 103 BKR C14 H41 SING N N 104 BKR C13 H42 SING N N 105 BKR C13 H43 SING N N 106 BKR C13 H44 SING N N 107 BKR C10 H45 SING N N 108 BKR C2 H46 SING N N 109 BKR C9 H47 SING N N 110 BKR C8 H48 SING N N 111 BKR C7 H49 SING N N 112 BKR C6 H50 SING N N 113 BKR C5 H51 SING N N 114 # # 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 BKR SMILES ACDLabs 12.01 "O=C(NC(C(O)C(OC3C(C)=C4C(C(C2(C(O)CC1OCC1(OC(=O)C)C2C(C(C3)(C4(C)C)O)OC(c5ccccc5)=O)C)=O)O)=O)c6ccccc6)c7ccccc7" BKR InChI InChI 1.03 "InChI=1S/C45H49NO13/c1-24-29(57-41(54)35(50)33(26-15-9-6-10-16-26)46-39(52)27-17-11-7-12-18-27)22-45(55)38(58-40(53)28-19-13-8-14-20-28)36-43(5,37(51)34(49)32(24)42(45,3)4)30(48)21-31-44(36,23-56-31)59-25(2)47/h6-20,29-31,33-36,38,48-50,55H,21-23H2,1-5H3,(H,46,52)/t29-,30-,31+,33-,34+,35+,36-,38-,43+,44-,45+/m0/s1" BKR InChIKey InChI 1.03 TYLVGQKNNUHXIP-MHHARFCSSA-N BKR SMILES_CANONICAL CACTVS 3.385 "CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]3(C)[C@@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)C(=C([C@@H](O)C3=O)C5(C)C)C" BKR SMILES CACTVS 3.385 "CC(=O)O[C]12CO[CH]1C[CH](O)[C]3(C)[CH]2[CH](OC(=O)c4ccccc4)[C]5(O)C[CH](OC(=O)[CH](O)[CH](NC(=O)c6ccccc6)c7ccccc7)C(=C([CH](O)C3=O)C5(C)C)C" BKR SMILES_CANONICAL "OpenEye OEToolkits" 2.0.6 "CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](c5ccccc5)NC(=O)c6ccccc6)O)O)OC(=O)c7ccccc7)(CO4)OC(=O)C)O)C)O" BKR SMILES "OpenEye OEToolkits" 2.0.6 "CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(c5ccccc5)NC(=O)c6ccccc6)O)O)OC(=O)c7ccccc7)(CO4)OC(=O)C)O)C)O" # # 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 BKR "SYSTEMATIC NAME" ACDLabs 12.01 "(2beta,5beta,7alpha,8alpha,10alpha,13alpha)-4-(acetyloxy)-13-({(2R,3S)-3-[(benzenecarbonyl)amino]-2-hydroxy-3-phenylpropanoyl}oxy)-1,7,10-trihydroxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoate" BKR "SYSTEMATIC NAME" "OpenEye OEToolkits" 2.0.6 "[(1~{S},2~{S},3~{R},4~{S},7~{R},9~{S},10~{S},12~{R},15~{S})-4-acetyloxy-15-[(2~{R},3~{S})-3-benzamido-2-oxidanyl-3-phenyl-propanoyl]oxy-10,14,16,16-tetramethyl-1,9,12-tris(oxidanyl)-11-oxidanylidene-6-oxatetracyclo[11.3.1.0^{3,10}.0^{4,7}]heptadec-13-en-2-yl] benzoate" # # loop_ _pdbx_chem_comp_audit.comp_id _pdbx_chem_comp_audit.action_type _pdbx_chem_comp_audit.date _pdbx_chem_comp_audit.processing_site BKR "Create component" 2019-02-14 PDBJ BKR "Initial release" 2020-02-26 RCSB ##