data_3ZP # _chem_comp.id 3ZP _chem_comp.name "2-[(4R,5S,6S,7R,9R,11E,13E,15R,16R)-6-[(2R,3R,4R,5S,6R)-4-(dimethylamino)-5-[(2S,4R,5S,6S)-4,6-dimethyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-methyl-3-oxidanyl-oxan-2-yl]oxy-16-ethyl-15-[[(2R,3R,4R,5S,6R)-3-methoxy-6-methyl-4,5-bis(oxidanyl)oxan-2-yl]oxymethyl]-5,9,13-trimethyl-4-oxidanyl-2,10-bis(oxidanylidene)-1-oxacyclohexadeca-11,13-dien-7-yl]ethanal" _chem_comp.type NON-POLYMER _chem_comp.pdbx_type HETAIN _chem_comp.formula "C45 H75 N O17" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms "Macrocin; Tylosin C" _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 2014-12-17 _chem_comp.pdbx_modified_date 2020-05-26 _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 902.073 _chem_comp.one_letter_code ? _chem_comp.three_letter_code ? _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 4X7X _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 3ZP C1 C1 C 0 1 N N N 46.213 200.766 157.468 6.200 2.188 1.238 C1 3ZP 1 3ZP O1 O1 O 0 1 N N N 49.277 199.977 159.834 3.275 1.617 2.685 O1 3ZP 2 3ZP C2 C2 C 0 1 N N R 46.821 200.075 158.669 4.999 1.387 0.730 C2 3ZP 3 3ZP O2 O2 O 0 1 N N N 47.370 201.119 159.515 3.839 2.256 0.646 O2 3ZP 4 3ZP C3 C3 C 0 1 N N R 45.831 199.303 159.547 5.314 0.822 -0.656 C3 3ZP 5 3ZP O3 O3 O 0 1 N N N 51.144 201.826 161.623 0.238 2.211 3.272 O3 3ZP 6 3ZP C4 C4 C 0 1 N N N 46.512 198.736 160.768 4.032 0.640 -1.428 C4 3ZP 7 3ZP C5 C5 C 0 1 N N N 46.403 199.194 162.036 4.066 0.501 -2.756 C5 3ZP 8 3ZP C6 C6 C 0 1 N N N 47.168 198.473 163.037 2.823 0.322 -3.503 C6 3ZP 9 3ZP C7 C7 C 0 1 N N N 47.268 198.767 164.336 1.638 0.262 -2.843 C7 3ZP 10 3ZP C8 C8 C 0 1 N N N 48.241 198.165 165.159 0.440 0.088 -3.562 C8 3ZP 11 3ZP C9 C9 C 0 1 N N R 48.620 198.915 166.431 -0.874 0.013 -2.828 C9 3ZP 12 3ZP C10 C10 C 0 1 N N N 49.348 200.239 166.125 -0.642 0.275 -1.339 C10 3ZP 13 3ZP C11 C11 C 0 1 N N R 50.530 200.141 165.150 -0.951 1.740 -1.024 C11 3ZP 14 3ZP C12 C12 C 0 1 N N S 50.818 201.513 164.552 -1.428 1.860 0.425 C12 3ZP 15 3ZP C13 C13 C 0 1 N N S 49.718 202.004 163.584 -0.622 2.948 1.137 C13 3ZP 16 3ZP C14 C14 C 0 1 N N R 49.882 201.443 162.168 0.552 2.308 1.882 C14 3ZP 17 3ZP C15 C15 C 0 1 N N N 48.757 201.857 161.231 1.802 3.171 1.700 C15 3ZP 18 3ZP C16 C16 C 0 1 N N N 48.531 200.876 160.128 3.026 2.291 1.714 C16 3ZP 19 3ZP O11 O4 O 0 1 N N N 52.883 198.652 163.968 0.762 3.810 -3.176 O11 3ZP 20 3ZP C34 C17 C 0 1 N N N 52.918 199.302 164.963 0.605 2.716 -2.689 C34 3ZP 21 3ZP C33 C18 C 0 1 N N N 51.767 199.566 165.860 0.312 2.581 -1.217 C33 3ZP 22 3ZP O4 O5 O 0 1 N N N 50.907 202.446 165.634 -2.814 2.205 0.443 O4 3ZP 23 3ZP C18 C19 C 0 1 N N R 52.066 203.234 165.760 -3.690 1.087 0.602 C18 3ZP 24 3ZP O5 O6 O 0 1 N N N 53.259 202.483 165.599 -3.679 0.300 -0.590 O5 3ZP 25 3ZP C22 C20 C 0 1 N N R 54.454 203.293 165.641 -4.506 -0.864 -0.529 C22 3ZP 26 3ZP C23 C21 C 0 1 N N N 55.615 202.391 165.293 -4.394 -1.640 -1.843 C23 3ZP 27 3ZP C21 C22 C 0 1 N N S 54.583 203.945 167.014 -5.961 -0.443 -0.307 C21 3ZP 28 3ZP O6 O7 O 0 1 N N N 55.528 205.022 166.912 -6.782 -1.607 -0.187 O6 3ZP 29 3ZP C24 C23 C 0 1 N N S 56.873 204.717 167.241 -7.859 -1.658 -1.125 C24 3ZP 30 3ZP O7 O8 O 0 1 N N N 57.021 203.603 168.124 -8.900 -0.774 -0.703 O7 3ZP 31 3ZP C28 C24 C 0 1 N N S 56.750 203.816 169.525 -9.427 -1.069 0.592 C28 3ZP 32 3ZP C29 C25 C 0 1 N N N 57.046 202.512 170.233 -10.509 -0.047 0.947 C29 3ZP 33 3ZP C27 C26 C 0 1 N N S 57.587 204.973 170.052 -10.035 -2.474 0.586 C27 3ZP 34 3ZP O8 O9 O 0 1 N N N 57.312 205.181 171.428 -10.511 -2.794 1.895 O8 3ZP 35 3ZP C26 C27 C 0 1 N N R 57.317 206.258 169.257 -8.961 -3.485 0.170 C26 3ZP 36 3ZP O9 O10 O 0 1 N N N 55.929 206.589 169.483 -7.906 -3.484 1.134 O9 3ZP 37 3ZP C30 C28 C 0 1 N N N 58.170 207.431 169.722 -9.578 -4.882 0.088 C30 3ZP 38 3ZP C25 C29 C 0 1 N N N 57.541 205.972 167.766 -8.403 -3.086 -1.199 C25 3ZP 39 3ZP C20 C30 C 0 1 N N R 53.282 204.658 167.386 -6.055 0.384 0.979 C20 3ZP 40 3ZP N N1 N 0 1 N N N 53.391 205.322 168.703 -7.434 0.856 1.161 N 3ZP 41 3ZP C32 C31 C 0 1 N N N 53.049 204.451 169.830 -7.662 1.296 2.543 C32 3ZP 42 3ZP C31 C32 C 0 1 N N N 52.651 206.580 168.804 -7.754 1.927 0.207 C31 3ZP 43 3ZP C19 C33 C 0 1 N N R 52.009 203.852 167.150 -5.112 1.587 0.869 C19 3ZP 44 3ZP O10 O11 O 0 1 N N N 50.872 204.699 167.241 -5.137 2.326 2.092 O10 3ZP 45 3ZP C17 C34 C 0 1 N N N 49.536 203.527 163.580 -1.522 3.677 2.136 C17 3ZP 46 3ZP C C35 C 0 1 N N N 47.203 201.663 156.742 5.935 2.649 2.673 C 3ZP 47 3ZP C35 C36 C 0 1 N N N 47.392 199.155 167.315 -1.832 1.067 -3.388 C35 3ZP 48 3ZP O O12 O 0 1 N N N 48.781 197.108 164.876 0.465 -0.003 -4.773 O 3ZP 49 3ZP C36 C37 C 0 1 N N N 45.563 200.363 162.488 5.385 0.527 -3.484 C36 3ZP 50 3ZP C37 C38 C 0 1 N N N 45.043 198.211 158.845 6.016 -0.530 -0.508 C37 3ZP 51 3ZP O12 O13 O 0 1 N N N 45.946 197.510 157.978 7.194 -0.371 0.284 O12 3ZP 52 3ZP C38 C39 C 0 1 N N R 45.895 196.124 158.090 8.107 -1.467 0.195 C38 3ZP 53 3ZP O13 O14 O 0 1 N N N 47.062 195.647 158.727 7.563 -2.597 0.880 O13 3ZP 54 3ZP C42 C40 C 0 1 N N R 47.119 194.209 158.784 8.389 -3.762 0.830 C42 3ZP 55 3ZP C43 C41 C 0 1 N N N 48.257 193.834 159.705 7.696 -4.910 1.567 C43 3ZP 56 3ZP C41 C42 C 0 1 N N S 47.276 193.675 157.368 9.733 -3.462 1.499 C41 3ZP 57 3ZP O14 O15 O 0 1 N N N 47.348 192.258 157.380 10.582 -4.607 1.400 O14 3ZP 58 3ZP C40 C43 C 0 1 N N R 46.051 194.090 156.559 10.392 -2.273 0.794 C40 3ZP 59 3ZP O15 O16 O 0 1 N N N 44.938 193.319 157.017 10.664 -2.616 -0.567 O15 3ZP 60 3ZP C39 C44 C 0 1 N N R 45.799 195.592 156.669 9.439 -1.074 0.839 C39 3ZP 61 3ZP O16 O17 O 0 1 N N N 44.515 195.904 156.133 10.013 0.019 0.121 O16 3ZP 62 3ZP C44 C45 C 0 1 N N N 44.518 196.864 155.079 9.770 1.296 0.714 C44 3ZP 63 3ZP H1 H1 H 0 1 N N N 45.365 201.380 157.807 7.091 1.560 1.217 H1 3ZP 64 3ZP H2 H2 H 0 1 N N N 45.853 199.999 156.766 6.353 3.058 0.600 H2 3ZP 65 3ZP H3 H3 H 0 1 N N N 47.618 199.394 158.336 4.791 0.568 1.418 H3 3ZP 66 3ZP H4 H4 H 0 1 N N N 45.096 200.038 159.908 5.966 1.512 -1.192 H4 3ZP 67 3ZP H5 H5 H 0 1 N N N 51.838 201.563 162.216 0.939 1.813 3.807 H5 3ZP 68 3ZP H6 H6 H 0 1 N N N 47.150 197.879 160.614 3.086 0.623 -0.907 H6 3ZP 69 3ZP H7 H7 H 0 1 N N N 47.715 197.607 162.695 2.847 0.239 -4.580 H7 3ZP 70 3ZP H8 H8 H 0 1 N N N 46.586 199.485 164.767 1.615 0.347 -1.767 H8 3ZP 71 3ZP H9 H9 H 0 1 N N N 49.317 198.279 166.997 -1.308 -0.978 -2.960 H9 3ZP 72 3ZP H10 H10 H 0 1 N N N 49.727 200.643 167.075 -1.295 -0.370 -0.750 H10 3ZP 73 3ZP H11 H11 H 0 1 N N N 48.614 200.937 165.696 0.398 0.061 -1.090 H11 3ZP 74 3ZP H12 H12 H 0 1 N N N 50.250 199.457 164.335 -1.732 2.098 -1.695 H12 3ZP 75 3ZP H13 H13 H 0 1 N N N 51.773 201.471 164.007 -1.284 0.908 0.935 H13 3ZP 76 3ZP H14 H14 H 0 1 N N N 48.774 201.588 163.967 -0.243 3.659 0.403 H14 3ZP 77 3ZP H15 H15 H 0 1 N N N 49.855 200.346 162.248 0.737 1.311 1.480 H15 3ZP 78 3ZP H16 H16 H 0 1 N N N 49.010 202.832 160.788 1.744 3.698 0.748 H16 3ZP 79 3ZP H17 H17 H 0 1 N N N 47.829 201.949 161.815 1.866 3.894 2.513 H17 3ZP 80 3ZP H18 H18 H 0 1 N N N 53.868 199.737 165.237 0.676 1.834 -3.309 H18 3ZP 81 3ZP H19 H19 H 0 1 N N N 51.480 198.619 166.340 0.160 3.570 -0.785 H19 3ZP 82 3ZP H20 H20 H 0 1 N N N 52.087 200.284 166.629 1.152 2.093 -0.723 H20 3ZP 83 3ZP H21 H21 H 0 1 N N N 52.042 204.049 165.022 -3.354 0.479 1.442 H21 3ZP 84 3ZP H22 H22 H 0 1 N N N 54.387 204.087 164.883 -4.181 -1.497 0.297 H22 3ZP 85 3ZP H23 H23 H 0 1 N N N 56.550 202.971 165.314 -3.343 -1.801 -2.080 H23 3ZP 86 3ZP H24 H24 H 0 1 N N N 55.675 201.572 166.025 -4.896 -2.602 -1.740 H24 3ZP 87 3ZP H25 H25 H 0 1 N N N 55.465 201.973 164.287 -4.864 -1.068 -2.643 H25 3ZP 88 3ZP H26 H26 H 0 1 N N N 54.864 203.207 167.780 -6.300 0.157 -1.151 H26 3ZP 89 3ZP H27 H27 H 0 1 N N N 57.391 204.462 166.305 -7.499 -1.354 -2.108 H27 3ZP 90 3ZP H28 H28 H 0 1 N N N 55.686 204.060 169.664 -8.626 -1.023 1.330 H28 3ZP 91 3ZP H29 H29 H 0 1 N N N 56.853 202.627 171.310 -11.310 -0.094 0.210 H29 3ZP 92 3ZP H30 H30 H 0 1 N N N 56.400 201.720 169.827 -10.911 -0.272 1.935 H30 3ZP 93 3ZP H31 H31 H 0 1 N N N 58.101 202.241 170.077 -10.076 0.953 0.951 H31 3ZP 94 3ZP H32 H32 H 0 1 N N N 58.648 204.713 169.925 -10.863 -2.510 -0.122 H32 3ZP 95 3ZP H33 H33 H 0 1 N N N 57.482 204.380 171.910 -11.191 -2.191 2.224 H33 3ZP 96 3ZP H34 H34 H 0 1 N N N 55.791 206.766 170.406 -7.188 -4.101 0.933 H34 3ZP 97 3ZP H35 H35 H 0 1 N N N 57.991 207.614 170.792 -9.977 -5.161 1.063 H35 3ZP 98 3ZP H36 H36 H 0 1 N N N 59.233 207.197 169.564 -10.382 -4.881 -0.648 H36 3ZP 99 3ZP H37 H37 H 0 1 N N N 57.903 208.329 169.146 -8.814 -5.600 -0.211 H37 3ZP 100 3ZP H38 H38 H 0 1 N N N 58.624 205.877 167.597 -9.198 -3.135 -1.944 H38 3ZP 101 3ZP H39 H39 H 0 1 N N N 57.154 206.828 167.194 -7.600 -3.768 -1.478 H39 3ZP 102 3ZP H40 H40 H 0 1 N N N 53.214 205.485 166.664 -5.765 -0.232 1.831 H40 3ZP 103 3ZP H42 H42 H 0 1 N N N 53.153 205.011 170.771 -6.955 2.086 2.794 H42 3ZP 104 3ZP H43 H43 H 0 1 N N N 52.011 204.103 169.723 -8.680 1.675 2.641 H43 3ZP 105 3ZP H44 H44 H 0 1 N N N 53.726 203.584 169.842 -7.522 0.454 3.221 H44 3ZP 106 3ZP H45 H45 H 0 1 N N N 52.785 207.005 169.810 -7.677 1.543 -0.810 H45 3ZP 107 3ZP H46 H46 H 0 1 N N N 53.029 207.289 168.053 -8.769 2.281 0.386 H46 3ZP 108 3ZP H47 H47 H 0 1 N N N 51.582 206.392 168.625 -7.053 2.751 0.339 H47 3ZP 109 3ZP H48 H48 H 0 1 N N N 51.950 203.048 167.898 -5.433 2.228 0.049 H48 3ZP 110 3ZP H49 H49 H 0 1 N N N 50.834 205.086 168.108 -4.558 3.100 2.095 H49 3ZP 111 3ZP H50 H50 H 0 1 N N N 49.422 203.886 164.614 -1.853 2.979 2.905 H50 3ZP 112 3ZP H51 H51 H 0 1 N N N 50.417 204.000 163.122 -0.965 4.491 2.600 H51 3ZP 113 3ZP H52 H52 H 0 1 N N N 48.638 203.787 163.001 -2.390 4.082 1.615 H52 3ZP 114 3ZP H53 H53 H 0 1 N N N 46.707 202.137 155.882 5.044 3.277 2.694 H53 3ZP 115 3ZP H54 H54 H 0 1 N N N 47.566 202.441 157.430 5.781 1.779 3.312 H54 3ZP 116 3ZP H55 H55 H 0 1 N N N 48.053 201.061 156.389 6.790 3.219 3.035 H55 3ZP 117 3ZP H56 H56 H 0 1 N N N 47.694 199.697 168.224 -2.092 0.812 -4.415 H56 3ZP 118 3ZP H57 H57 H 0 1 N N N 46.653 199.752 166.761 -2.736 1.096 -2.780 H57 3ZP 119 3ZP H58 H58 H 0 1 N N N 46.947 198.189 167.595 -1.349 2.044 -3.367 H58 3ZP 120 3ZP H59 H59 H 0 1 N N N 45.675 200.497 163.574 6.050 -0.224 -3.058 H59 3ZP 121 3ZP H60 H60 H 0 1 N N N 45.895 201.275 161.970 5.222 0.312 -4.540 H60 3ZP 122 3ZP H61 H61 H 0 1 N N N 44.507 200.169 162.250 5.838 1.513 -3.379 H61 3ZP 123 3ZP H62 H62 H 0 1 N N N 44.228 198.657 158.256 5.343 -1.237 -0.022 H62 3ZP 124 3ZP H63 H63 H 0 1 N N N 44.622 197.517 159.587 6.289 -0.908 -1.494 H63 3ZP 125 3ZP H64 H64 H 0 1 N N N 45.000 195.812 158.648 8.270 -1.720 -0.852 H64 3ZP 126 3ZP H65 H65 H 0 1 N N N 46.181 193.817 159.204 8.555 -4.045 -0.209 H65 3ZP 127 3ZP H66 H66 H 0 1 N N N 48.073 194.254 160.705 6.739 -5.123 1.091 H66 3ZP 128 3ZP H67 H67 H 0 1 N N N 48.327 192.738 159.774 8.326 -5.799 1.529 H67 3ZP 129 3ZP H68 H68 H 0 1 N N N 49.200 194.237 159.306 7.530 -4.627 2.606 H68 3ZP 130 3ZP H69 H69 H 0 1 N N N 48.178 194.109 156.912 9.570 -3.219 2.549 H69 3ZP 131 3ZP H70 H70 H 0 1 N N N 48.107 191.983 157.881 10.224 -5.400 1.822 H70 3ZP 132 3ZP H71 H71 H 0 1 N N N 46.245 193.855 155.502 11.323 -2.018 1.299 H71 3ZP 133 3ZP H72 H72 H 0 1 N N N 45.136 192.394 156.931 11.262 -3.369 -0.671 H72 3ZP 134 3ZP H73 H73 H 0 1 N N N 46.568 196.102 156.070 9.271 -0.782 1.876 H73 3ZP 135 3ZP H74 H74 H 0 1 N N N 43.487 197.035 154.736 10.165 2.079 0.067 H74 3ZP 136 3ZP H75 H75 H 0 1 N N N 44.944 197.809 155.446 8.698 1.438 0.844 H75 3ZP 137 3ZP H76 H76 H 0 1 N N N 45.125 196.488 154.242 10.264 1.345 1.685 H76 3ZP 138 # 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 3ZP C44 O16 SING N N 1 3ZP O16 C39 SING N N 2 3ZP C40 C39 SING N N 3 3ZP C40 O15 SING N N 4 3ZP C40 C41 SING N N 5 3ZP C39 C38 SING N N 6 3ZP C C1 SING N N 7 3ZP C41 O14 SING N N 8 3ZP C41 C42 SING N N 9 3ZP C1 C2 SING N N 10 3ZP O12 C38 SING N N 11 3ZP O12 C37 SING N N 12 3ZP C38 O13 SING N N 13 3ZP C2 O2 SING N N 14 3ZP C2 C3 SING N N 15 3ZP O13 C42 SING N N 16 3ZP C42 C43 SING N N 17 3ZP C37 C3 SING N N 18 3ZP O2 C16 SING N N 19 3ZP C3 C4 SING N N 20 3ZP O1 C16 DOUB N N 21 3ZP C16 C15 SING N N 22 3ZP C4 C5 DOUB N E 23 3ZP C15 C14 SING N N 24 3ZP O3 C14 SING N N 25 3ZP C5 C36 SING N N 26 3ZP C5 C6 SING N N 27 3ZP C14 C13 SING N N 28 3ZP C6 C7 DOUB N E 29 3ZP C17 C13 SING N N 30 3ZP C13 C12 SING N N 31 3ZP O11 C34 DOUB N N 32 3ZP C7 C8 SING N N 33 3ZP C12 C11 SING N N 34 3ZP C12 O4 SING N N 35 3ZP O C8 DOUB N N 36 3ZP C34 C33 SING N N 37 3ZP C11 C33 SING N N 38 3ZP C11 C10 SING N N 39 3ZP C8 C9 SING N N 40 3ZP C23 C22 SING N N 41 3ZP O5 C22 SING N N 42 3ZP O5 C18 SING N N 43 3ZP O4 C18 SING N N 44 3ZP C22 C21 SING N N 45 3ZP C18 C19 SING N N 46 3ZP C10 C9 SING N N 47 3ZP C9 C35 SING N N 48 3ZP O6 C21 SING N N 49 3ZP O6 C24 SING N N 50 3ZP C21 C20 SING N N 51 3ZP C19 O10 SING N N 52 3ZP C19 C20 SING N N 53 3ZP C24 C25 SING N N 54 3ZP C24 O7 SING N N 55 3ZP C20 N SING N N 56 3ZP C25 C26 SING N N 57 3ZP O7 C28 SING N N 58 3ZP N C31 SING N N 59 3ZP N C32 SING N N 60 3ZP C26 O9 SING N N 61 3ZP C26 C30 SING N N 62 3ZP C26 C27 SING N N 63 3ZP C28 C27 SING N N 64 3ZP C28 C29 SING N N 65 3ZP C27 O8 SING N N 66 3ZP C1 H1 SING N N 67 3ZP C1 H2 SING N N 68 3ZP C2 H3 SING N N 69 3ZP C3 H4 SING N N 70 3ZP O3 H5 SING N N 71 3ZP C4 H6 SING N N 72 3ZP C6 H7 SING N N 73 3ZP C7 H8 SING N N 74 3ZP C9 H9 SING N N 75 3ZP C10 H10 SING N N 76 3ZP C10 H11 SING N N 77 3ZP C11 H12 SING N N 78 3ZP C12 H13 SING N N 79 3ZP C13 H14 SING N N 80 3ZP C14 H15 SING N N 81 3ZP C15 H16 SING N N 82 3ZP C15 H17 SING N N 83 3ZP C34 H18 SING N N 84 3ZP C33 H19 SING N N 85 3ZP C33 H20 SING N N 86 3ZP C18 H21 SING N N 87 3ZP C22 H22 SING N N 88 3ZP C23 H23 SING N N 89 3ZP C23 H24 SING N N 90 3ZP C23 H25 SING N N 91 3ZP C21 H26 SING N N 92 3ZP C24 H27 SING N N 93 3ZP C28 H28 SING N N 94 3ZP C29 H29 SING N N 95 3ZP C29 H30 SING N N 96 3ZP C29 H31 SING N N 97 3ZP C27 H32 SING N N 98 3ZP O8 H33 SING N N 99 3ZP O9 H34 SING N N 100 3ZP C30 H35 SING N N 101 3ZP C30 H36 SING N N 102 3ZP C30 H37 SING N N 103 3ZP C25 H38 SING N N 104 3ZP C25 H39 SING N N 105 3ZP C20 H40 SING N N 106 3ZP C32 H42 SING N N 107 3ZP C32 H43 SING N N 108 3ZP C32 H44 SING N N 109 3ZP C31 H45 SING N N 110 3ZP C31 H46 SING N N 111 3ZP C31 H47 SING N N 112 3ZP C19 H48 SING N N 113 3ZP O10 H49 SING N N 114 3ZP C17 H50 SING N N 115 3ZP C17 H51 SING N N 116 3ZP C17 H52 SING N N 117 3ZP C H53 SING N N 118 3ZP C H54 SING N N 119 3ZP C H55 SING N N 120 3ZP C35 H56 SING N N 121 3ZP C35 H57 SING N N 122 3ZP C35 H58 SING N N 123 3ZP C36 H59 SING N N 124 3ZP C36 H60 SING N N 125 3ZP C36 H61 SING N N 126 3ZP C37 H62 SING N N 127 3ZP C37 H63 SING N N 128 3ZP C38 H64 SING N N 129 3ZP C42 H65 SING N N 130 3ZP C43 H66 SING N N 131 3ZP C43 H67 SING N N 132 3ZP C43 H68 SING N N 133 3ZP C41 H69 SING N N 134 3ZP O14 H70 SING N N 135 3ZP C40 H71 SING N N 136 3ZP O15 H72 SING N N 137 3ZP C39 H73 SING N N 138 3ZP C44 H74 SING N N 139 3ZP C44 H75 SING N N 140 3ZP C44 H76 SING N N 141 # 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 3ZP SMILES ACDLabs 12.01 "O=C4C=CC(=CC(COC1OC(C(O)C(O)C1OC)C)C(OC(=O)CC(O)C(C)C(OC3OC(C)C(OC2OC(C)C(O)C(O)(C)C2)C(N(C)C)C3O)C(CC=O)CC4C)CC)C" 3ZP InChI InChI 1.03 "InChI=1S/C45H75NO17/c1-12-32-29(21-57-44-41(56-11)38(53)36(51)25(5)59-44)17-22(2)13-14-30(48)23(3)18-28(15-16-47)39(24(4)31(49)19-33(50)61-32)63-43-37(52)35(46(9)10)40(26(6)60-43)62-34-20-45(8,55)42(54)27(7)58-34/h13-14,16-17,23-29,31-32,34-44,49,51-55H,12,15,18-21H2,1-11H3/b14-13+,22-17+/t23-,24+,25-,26-,27+,28+,29-,31-,32-,34+,35-,36-,37-,38-,39-,40-,41-,42+,43+,44-,45-/m1/s1" 3ZP InChIKey InChI 1.03 UFUYRGNJTFAODM-HQCAVAADSA-N 3ZP SMILES_CANONICAL CACTVS 3.385 "CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](O)[C@H](C)O3)[C@@H]([C@H]2O)N(C)C)[C@@H](CC=O)C[C@@H](C)C(=O)/C=C/C(=C/[C@@H]1CO[C@@H]4O[C@H](C)[C@@H](O)[C@@H](O)[C@H]4OC)C" 3ZP SMILES CACTVS 3.385 "CC[CH]1OC(=O)C[CH](O)[CH](C)[CH](O[CH]2O[CH](C)[CH](O[CH]3C[C](C)(O)[CH](O)[CH](C)O3)[CH]([CH]2O)N(C)C)[CH](CC=O)C[CH](C)C(=O)C=CC(=C[CH]1CO[CH]4O[CH](C)[CH](O)[CH](O)[CH]4OC)C" 3ZP SMILES_CANONICAL "OpenEye OEToolkits" 1.9.2 "CC[C@@H]1[C@H](/C=C(/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)O)N(C)C)O)CC=O)C)\C)CO[C@H]4[C@@H]([C@@H]([C@@H]([C@H](O4)C)O)O)OC" 3ZP SMILES "OpenEye OEToolkits" 1.9.2 "CCC1C(C=C(C=CC(=O)C(CC(C(C(C(CC(=O)O1)O)C)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)O)(C)O)N(C)C)O)CC=O)C)C)COC4C(C(C(C(O4)C)O)O)OC" # 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 3ZP "SYSTEMATIC NAME" ACDLabs 12.01 "[(2R,3R,4E,6E,9R,11R,12S,13S,14R)-12-{[3,6-dideoxy-4-O-(2,6-dideoxy-3-C-methyl-alpha-L-ribo-hexopyranosyl)-3-(dimethylamino)-beta-D-glucopyranosyl]oxy}-2-ethyl-14-hydroxy-5,9,13-trimethyl-8,16-dioxo-11-(2-oxoethyl)oxacyclohexadeca-4,6-dien-3-yl]methyl 6-deoxy-2-O-methyl-beta-D-allopyranoside" 3ZP "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.9.2 "2-[(4R,5S,6S,7R,9R,11E,13E,15R,16R)-6-[(2R,3R,4R,5S,6R)-4-(dimethylamino)-5-[(2S,4R,5S,6S)-4,6-dimethyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-methyl-3-oxidanyl-oxan-2-yl]oxy-16-ethyl-15-[[(2R,3R,4R,5S,6R)-3-methoxy-6-methyl-4,5-bis(oxidanyl)oxan-2-yl]oxymethyl]-5,9,13-trimethyl-4-oxidanyl-2,10-bis(oxidanylidene)-1-oxacyclohexadeca-11,13-dien-7-yl]ethanal" # loop_ _pdbx_chem_comp_audit.comp_id _pdbx_chem_comp_audit.action_type _pdbx_chem_comp_audit.date _pdbx_chem_comp_audit.processing_site 3ZP "Create component" 2014-12-17 RCSB 3ZP "Modify value order" 2015-02-24 RCSB 3ZP "Modify synonyms" 2015-02-26 RCSB 3ZP "Initial release" 2015-03-11 RCSB 3ZP "Modify synonyms" 2020-05-26 PDBE # loop_ _pdbx_chem_comp_synonyms.ordinal _pdbx_chem_comp_synonyms.comp_id _pdbx_chem_comp_synonyms.name _pdbx_chem_comp_synonyms.provenance _pdbx_chem_comp_synonyms.type 1 3ZP Macrocin ? ? 2 3ZP "Tylosin C" ? ? #