data_MQ7 # _chem_comp.id MQ7 _chem_comp.name MENAQUINONE-7 _chem_comp.type NON-POLYMER _chem_comp.pdbx_type HETAIN _chem_comp.formula "C46 H64 O2" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms ? _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 1999-07-08 _chem_comp.pdbx_modified_date 2011-06-04 _chem_comp.pdbx_ambiguous_flag N _chem_comp.pdbx_release_status REL _chem_comp.pdbx_replaced_by ? _chem_comp.pdbx_replaces 7MQ _chem_comp.formula_weight 648.999 _chem_comp.one_letter_code ? _chem_comp.three_letter_code MQ7 _chem_comp.pdbx_model_coordinates_details ? _chem_comp.pdbx_model_coordinates_missing_flag N _chem_comp.pdbx_ideal_coordinates_details ? _chem_comp.pdbx_ideal_coordinates_missing_flag N _chem_comp.pdbx_model_coordinates_db_code 1PRC _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 MQ7 C1 C1 C 0 1 N N N 125.327 82.581 7.803 1.726 -1.701 -11.173 C1 MQ7 1 MQ7 O1 O1 O 0 1 N N N 125.309 82.047 6.705 2.456 -2.661 -11.319 O1 MQ7 2 MQ7 C2 C2 C 0 1 N N N 124.515 82.129 8.958 0.353 -1.885 -10.668 C2 MQ7 3 MQ7 C2M C2M C 0 1 N N N 123.589 81.013 8.566 -0.137 -3.270 -10.335 C2M MQ7 4 MQ7 C3 C3 C 0 1 N N N 124.585 82.771 10.109 -0.465 -0.837 -10.501 C3 MQ7 5 MQ7 C4 C4 C 0 1 N N N 125.463 83.895 10.222 -0.018 0.531 -10.823 C4 MQ7 6 MQ7 O4 O4 O 0 1 N N N 125.548 84.426 11.351 -0.774 1.470 -10.672 O4 MQ7 7 MQ7 C5 C5 C 0 1 Y N N 126.334 84.278 9.112 1.353 0.756 -11.326 C5 MQ7 8 MQ7 C6 C6 C 0 1 Y N N 127.256 85.257 9.242 1.800 2.036 -11.632 C6 MQ7 9 MQ7 C7 C7 C 0 1 Y N N 128.128 85.553 8.167 3.089 2.220 -12.108 C7 MQ7 10 MQ7 C8 C8 C 0 1 Y N N 128.014 84.890 7.002 3.933 1.139 -12.280 C8 MQ7 11 MQ7 C9 C9 C 0 1 Y N N 127.079 83.892 6.892 3.502 -0.143 -11.979 C9 MQ7 12 MQ7 C10 C10 C 0 1 Y N N 126.265 83.620 7.939 2.212 -0.343 -11.501 C10 MQ7 13 MQ7 C11 C11 C 0 1 N N N 123.875 82.592 11.402 -1.862 -1.060 -9.984 C11 MQ7 14 MQ7 C12 C12 C 0 1 N N N 124.585 81.478 12.161 -1.859 -0.980 -8.479 C12 MQ7 15 MQ7 C13 C13 C 0 1 N N N 125.153 81.657 13.389 -2.670 -0.154 -7.865 C13 MQ7 16 MQ7 C14 C14 C 0 1 N N N 125.136 83.028 14.073 -3.681 0.635 -8.656 C14 MQ7 17 MQ7 C15 C15 C 0 1 N N N 125.786 80.456 14.108 -2.592 0.005 -6.369 C15 MQ7 18 MQ7 C16 C16 C 0 1 N N N 124.988 80.012 15.358 -1.606 1.123 -6.026 C16 MQ7 19 MQ7 C17 C17 C 0 1 N N N 123.553 79.655 14.963 -1.528 1.283 -4.530 C17 MQ7 20 MQ7 C18 C18 C 0 1 N N N 122.986 78.469 15.279 -0.368 1.222 -3.924 C18 MQ7 21 MQ7 C19 C19 C 0 1 N N N 123.699 77.412 16.105 0.899 1.117 -4.732 C19 MQ7 22 MQ7 C20 C20 C 0 1 N N N 121.571 78.205 14.854 -0.301 1.256 -2.419 C20 MQ7 23 MQ7 C21 C21 C 0 1 N N N 120.651 78.161 16.091 -0.374 -0.170 -1.872 C21 MQ7 24 MQ7 C22 C22 C 0 1 N N N 120.318 79.568 16.629 -0.307 -0.135 -0.367 C22 MQ7 25 MQ7 C23 C23 C 0 1 N N N 119.985 79.663 17.928 -1.251 -0.701 0.343 C23 MQ7 26 MQ7 C24 C24 C 0 1 N N N 119.938 78.372 18.784 -2.465 -1.277 -0.339 C24 MQ7 27 MQ7 C25 C25 C 0 1 N N N 119.650 81.022 18.545 -1.123 -0.775 1.842 C25 MQ7 28 MQ7 C26 C26 C 0 1 N N N 118.111 81.181 18.572 -1.751 0.470 2.470 C26 MQ7 29 MQ7 C27 C27 C 0 1 N N N 117.835 82.590 19.070 -1.623 0.396 3.970 C27 MQ7 30 MQ7 C28 C28 C 0 1 N N N 116.647 83.187 18.965 -1.047 1.371 4.627 C28 MQ7 31 MQ7 C29 C29 C 0 1 N N N 115.450 82.485 18.374 -0.613 2.617 3.899 C29 MQ7 32 MQ7 C30 C30 C 0 1 N N N 116.521 84.637 19.443 -0.817 1.247 6.111 C30 MQ7 33 MQ7 C31 C31 C 0 1 N N N 115.388 84.780 20.455 0.550 0.611 6.365 C31 MQ7 34 MQ7 C32 C32 C 0 1 N N N 115.382 86.287 20.737 0.779 0.487 7.849 C32 MQ7 35 MQ7 C33 C33 C 0 1 N N N 114.239 86.984 20.772 1.076 -0.677 8.371 C33 MQ7 36 MQ7 C34 C34 C 0 1 N N N 112.912 86.235 20.623 1.299 -1.869 7.476 C34 MQ7 37 MQ7 C35 C35 C 0 1 N N N 114.287 88.494 21.052 1.193 -0.824 9.866 C35 MQ7 38 MQ7 C36 C36 C 0 1 N N N 113.557 89.274 19.931 -0.170 -1.196 10.451 C36 MQ7 39 MQ7 C37 C37 C 0 1 N N N 113.549 90.798 20.303 -0.053 -1.343 11.946 C37 MQ7 40 MQ7 C38 C38 C 0 1 N N N 112.760 91.604 19.572 -0.842 -0.658 12.736 C38 MQ7 41 MQ7 C39 C39 C 0 1 N N N 111.960 90.940 18.430 -1.949 0.180 12.151 C39 MQ7 42 MQ7 C40 C40 C 0 1 N N N 112.649 93.107 19.888 -0.643 -0.709 14.229 C40 MQ7 43 MQ7 C41 C41 C 0 1 N N N 112.178 93.310 21.365 0.321 0.399 14.653 C41 MQ7 44 MQ7 C42 C42 C 0 1 N N N 112.092 94.808 21.741 0.520 0.348 16.146 C42 MQ7 45 MQ7 C43 C43 C 0 1 N N N 111.177 95.242 22.642 1.729 0.264 16.643 C43 MQ7 46 MQ7 C44 C44 C 0 1 N N N 110.499 94.250 23.610 1.923 0.087 18.127 C44 MQ7 47 MQ7 C45 C45 C 0 1 N N N 110.806 96.736 22.706 2.926 0.344 15.731 C45 MQ7 48 MQ7 H2M1 1H2M H 0 0 N N N 122.978 80.673 9.434 0.655 -3.993 -10.530 H2M1 MQ7 49 MQ7 H2M2 2H2M H 0 0 N N N 122.947 81.297 7.699 -0.416 -3.313 -9.282 H2M2 MQ7 50 MQ7 H2M3 3H2M H 0 0 N N N 124.142 80.166 8.097 -1.004 -3.507 -10.951 H2M3 MQ7 51 MQ7 H6 H6 H 0 1 N N N 127.295 85.800 10.201 1.145 2.884 -11.499 H6 MQ7 52 MQ7 H7 H7 H 0 1 N N N 128.917 86.320 8.239 3.436 3.214 -12.345 H7 MQ7 53 MQ7 H8 H8 H 0 1 N N N 128.671 85.158 6.157 4.935 1.295 -12.651 H8 MQ7 54 MQ7 H9 H9 H 0 1 N N N 126.981 83.308 5.961 4.166 -0.983 -12.115 H9 MQ7 55 MQ7 H111 1H11 H 0 0 N N N 123.795 83.536 11.989 -2.212 -2.045 -10.295 H111 MQ7 56 MQ7 H112 2H11 H 0 0 N N N 122.782 82.406 11.276 -2.526 -0.295 -10.387 H112 MQ7 57 MQ7 H12 H12 H 0 1 N N N 124.698 80.446 11.786 -1.189 -1.604 -7.906 H12 MQ7 58 MQ7 H141 1H14 H 0 0 N N N 125.600 83.174 15.076 -4.321 1.193 -7.973 H141 MQ7 59 MQ7 H142 2H14 H 0 0 N N N 125.584 83.770 13.372 -3.162 1.329 -9.317 H142 MQ7 60 MQ7 H143 3H14 H 0 0 N N N 124.077 83.375 14.126 -4.290 -0.045 -9.250 H143 MQ7 61 MQ7 H151 1H15 H 0 0 N N N 125.932 79.602 13.405 -2.253 -0.928 -5.921 H151 MQ7 62 MQ7 H152 2H15 H 0 0 N N N 126.850 80.662 14.367 -3.578 0.258 -5.979 H152 MQ7 63 MQ7 H161 1H16 H 0 0 N N N 125.491 79.178 15.901 -1.945 2.057 -6.474 H161 MQ7 64 MQ7 H162 2H16 H 0 0 N N N 125.020 80.777 16.168 -0.620 0.870 -6.416 H162 MQ7 65 MQ7 H17 H17 H 0 1 N N N 122.866 80.310 14.400 -2.428 1.448 -3.957 H17 MQ7 66 MQ7 H191 1H19 H 0 0 N N N 123.231 76.433 16.365 0.943 1.939 -5.447 H191 MQ7 67 MQ7 H192 2H19 H 0 0 N N N 124.672 77.195 15.605 1.760 1.168 -4.066 H192 MQ7 68 MQ7 H193 3H19 H 0 0 N N N 124.023 77.893 17.057 0.910 0.168 -5.268 H193 MQ7 69 MQ7 H201 1H20 H 0 0 N N N 121.217 78.941 14.095 -1.138 1.837 -2.031 H201 MQ7 70 MQ7 H202 2H20 H 0 0 N N N 121.485 77.281 14.235 0.635 1.718 -2.107 H202 MQ7 71 MQ7 H211 1H21 H 0 0 N N N 119.722 77.581 15.879 0.462 -0.750 -2.260 H211 MQ7 72 MQ7 H212 2H21 H 0 0 N N N 121.085 77.517 16.891 -1.311 -0.631 -2.184 H212 MQ7 73 MQ7 H22 H22 H 0 1 N N N 120.318 80.522 16.075 0.518 0.355 0.125 H22 MQ7 74 MQ7 H241 1H24 H 0 0 N N N 119.661 78.450 19.861 -2.165 -2.115 -0.968 H241 MQ7 75 MQ7 H242 2H24 H 0 0 N N N 119.259 77.637 18.291 -3.175 -1.623 0.412 H242 MQ7 76 MQ7 H243 3H24 H 0 0 N N N 120.919 77.849 18.701 -2.934 -0.510 -0.955 H243 MQ7 77 MQ7 H251 1H25 H 0 0 N N N 120.112 81.162 19.549 -0.069 -0.827 2.115 H251 MQ7 78 MQ7 H252 2H25 H 0 0 N N N 120.158 81.866 18.023 -1.638 -1.664 2.207 H252 MQ7 79 MQ7 H261 1H26 H 0 0 N N N 117.625 80.954 17.594 -2.805 0.522 2.197 H261 MQ7 80 MQ7 H262 2H26 H 0 0 N N N 117.595 80.392 19.167 -1.237 1.359 2.105 H262 MQ7 81 MQ7 H27 H27 H 0 1 N N N 118.573 83.247 19.558 -2.007 -0.461 4.503 H27 MQ7 82 MQ7 H291 1H29 H 0 0 N N N 114.456 82.984 18.286 -1.489 3.127 3.497 H291 MQ7 83 MQ7 H292 2H29 H 0 0 N N N 115.736 82.118 17.361 -0.093 3.280 4.591 H292 MQ7 84 MQ7 H293 3H29 H 0 0 N N N 115.303 81.532 18.934 0.056 2.347 3.083 H293 MQ7 85 MQ7 H301 1H30 H 0 0 N N N 117.485 85.022 19.847 -1.596 0.622 6.548 H301 MQ7 86 MQ7 H302 2H30 H 0 0 N N N 116.401 85.343 18.588 -0.848 2.237 6.568 H302 MQ7 87 MQ7 H311 1H31 H 0 0 N N N 114.408 84.361 20.124 1.328 1.236 5.928 H311 MQ7 88 MQ7 H312 2H31 H 0 0 N N N 115.483 84.134 21.359 0.580 -0.378 5.908 H312 MQ7 89 MQ7 H32 H32 H 0 1 N N N 116.266 86.917 20.929 0.699 1.358 8.482 H32 MQ7 90 MQ7 H341 1H34 H 0 0 N N N 111.960 86.815 20.652 2.171 -1.692 6.847 H341 MQ7 91 MQ7 H342 2H34 H 0 0 N N N 112.940 85.636 19.682 1.466 -2.755 8.088 H342 MQ7 92 MQ7 H343 3H34 H 0 0 N N N 112.865 85.428 21.391 0.422 -2.020 6.848 H343 MQ7 93 MQ7 H351 1H35 H 0 0 N N N 113.883 88.742 22.061 1.529 0.117 10.299 H351 MQ7 94 MQ7 H352 2H35 H 0 0 N N N 115.331 88.856 21.197 1.914 -1.608 10.098 H352 MQ7 95 MQ7 H361 1H36 H 0 0 N N N 113.994 89.082 18.923 -0.506 -2.138 10.018 H361 MQ7 96 MQ7 H362 2H36 H 0 0 N N N 112.533 88.877 19.732 -0.891 -0.412 10.218 H362 MQ7 97 MQ7 H37 H37 H 0 1 N N N 114.111 91.315 21.098 0.681 -2.014 12.366 H37 MQ7 98 MQ7 H391 1H39 H 0 0 N N N 111.305 91.608 17.823 -2.578 -0.440 11.514 H391 MQ7 99 MQ7 H392 2H39 H 0 0 N N N 112.656 90.387 17.757 -2.550 0.601 12.957 H392 MQ7 100 MQ7 H393 3H39 H 0 0 N N N 111.357 90.095 18.837 -1.518 0.988 11.560 H393 MQ7 101 MQ7 H401 1H40 H 0 0 N N N 113.598 93.650 19.674 -0.227 -1.678 14.507 H401 MQ7 102 MQ7 H402 2H40 H 0 0 N N N 111.990 93.638 19.162 -1.601 -0.568 14.728 H402 MQ7 103 MQ7 H411 1H41 H 0 0 N N N 111.212 92.787 21.558 -0.094 1.368 14.375 H411 MQ7 104 MQ7 H412 2H41 H 0 0 N N N 112.826 92.749 22.078 1.279 0.258 14.153 H412 MQ7 105 MQ7 H42 H42 H 0 1 N N N 112.723 95.618 21.340 -0.333 0.381 16.806 H42 MQ7 106 MQ7 H441 1H44 H 0 0 N N N 109.746 94.607 24.351 2.989 0.038 18.351 H441 MQ7 107 MQ7 H442 2H44 H 0 0 N N N 110.035 93.434 23.006 1.480 0.931 18.654 H442 MQ7 108 MQ7 H443 3H44 H 0 0 N N N 111.296 93.698 24.160 1.441 -0.835 18.449 H443 MQ7 109 MQ7 H451 1H45 H 0 0 N N N 110.053 97.093 23.447 2.874 1.260 15.143 H451 MQ7 110 MQ7 H452 2H45 H 0 0 N N N 111.742 97.326 22.842 3.838 0.346 16.328 H452 MQ7 111 MQ7 H453 3H45 H 0 0 N N N 110.482 97.062 21.690 2.931 -0.516 15.062 H453 MQ7 112 # 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 MQ7 C1 O1 DOUB N N 1 MQ7 C1 C2 SING N N 2 MQ7 C1 C10 SING N N 3 MQ7 C2 C2M SING N N 4 MQ7 C2 C3 DOUB N N 5 MQ7 C2M H2M1 SING N N 6 MQ7 C2M H2M2 SING N N 7 MQ7 C2M H2M3 SING N N 8 MQ7 C3 C4 SING N N 9 MQ7 C3 C11 SING N N 10 MQ7 C4 O4 DOUB N N 11 MQ7 C4 C5 SING N N 12 MQ7 C5 C6 DOUB Y N 13 MQ7 C5 C10 SING Y N 14 MQ7 C6 C7 SING Y N 15 MQ7 C6 H6 SING N N 16 MQ7 C7 C8 DOUB Y N 17 MQ7 C7 H7 SING N N 18 MQ7 C8 C9 SING Y N 19 MQ7 C8 H8 SING N N 20 MQ7 C9 C10 DOUB Y N 21 MQ7 C9 H9 SING N N 22 MQ7 C11 C12 SING N N 23 MQ7 C11 H111 SING N N 24 MQ7 C11 H112 SING N N 25 MQ7 C12 C13 DOUB N E 26 MQ7 C12 H12 SING N N 27 MQ7 C13 C14 SING N N 28 MQ7 C13 C15 SING N N 29 MQ7 C14 H141 SING N N 30 MQ7 C14 H142 SING N N 31 MQ7 C14 H143 SING N N 32 MQ7 C15 C16 SING N N 33 MQ7 C15 H151 SING N N 34 MQ7 C15 H152 SING N N 35 MQ7 C16 C17 SING N N 36 MQ7 C16 H161 SING N N 37 MQ7 C16 H162 SING N N 38 MQ7 C17 C18 DOUB N E 39 MQ7 C17 H17 SING N N 40 MQ7 C18 C19 SING N N 41 MQ7 C18 C20 SING N N 42 MQ7 C19 H191 SING N N 43 MQ7 C19 H192 SING N N 44 MQ7 C19 H193 SING N N 45 MQ7 C20 C21 SING N N 46 MQ7 C20 H201 SING N N 47 MQ7 C20 H202 SING N N 48 MQ7 C21 C22 SING N N 49 MQ7 C21 H211 SING N N 50 MQ7 C21 H212 SING N N 51 MQ7 C22 C23 DOUB N E 52 MQ7 C22 H22 SING N N 53 MQ7 C23 C24 SING N N 54 MQ7 C23 C25 SING N N 55 MQ7 C24 H241 SING N N 56 MQ7 C24 H242 SING N N 57 MQ7 C24 H243 SING N N 58 MQ7 C25 C26 SING N N 59 MQ7 C25 H251 SING N N 60 MQ7 C25 H252 SING N N 61 MQ7 C26 C27 SING N N 62 MQ7 C26 H261 SING N N 63 MQ7 C26 H262 SING N N 64 MQ7 C27 C28 DOUB N E 65 MQ7 C27 H27 SING N N 66 MQ7 C28 C29 SING N N 67 MQ7 C28 C30 SING N N 68 MQ7 C29 H291 SING N N 69 MQ7 C29 H292 SING N N 70 MQ7 C29 H293 SING N N 71 MQ7 C30 C31 SING N N 72 MQ7 C30 H301 SING N N 73 MQ7 C30 H302 SING N N 74 MQ7 C31 C32 SING N N 75 MQ7 C31 H311 SING N N 76 MQ7 C31 H312 SING N N 77 MQ7 C32 C33 DOUB N E 78 MQ7 C32 H32 SING N N 79 MQ7 C33 C34 SING N N 80 MQ7 C33 C35 SING N N 81 MQ7 C34 H341 SING N N 82 MQ7 C34 H342 SING N N 83 MQ7 C34 H343 SING N N 84 MQ7 C35 C36 SING N N 85 MQ7 C35 H351 SING N N 86 MQ7 C35 H352 SING N N 87 MQ7 C36 C37 SING N N 88 MQ7 C36 H361 SING N N 89 MQ7 C36 H362 SING N N 90 MQ7 C37 C38 DOUB N E 91 MQ7 C37 H37 SING N N 92 MQ7 C38 C39 SING N N 93 MQ7 C38 C40 SING N N 94 MQ7 C39 H391 SING N N 95 MQ7 C39 H392 SING N N 96 MQ7 C39 H393 SING N N 97 MQ7 C40 C41 SING N N 98 MQ7 C40 H401 SING N N 99 MQ7 C40 H402 SING N N 100 MQ7 C41 C42 SING N N 101 MQ7 C41 H411 SING N N 102 MQ7 C41 H412 SING N N 103 MQ7 C42 C43 DOUB N N 104 MQ7 C42 H42 SING N N 105 MQ7 C43 C44 SING N N 106 MQ7 C43 C45 SING N N 107 MQ7 C44 H441 SING N N 108 MQ7 C44 H442 SING N N 109 MQ7 C44 H443 SING N N 110 MQ7 C45 H451 SING N N 111 MQ7 C45 H452 SING N N 112 MQ7 C45 H453 SING N N 113 # 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 MQ7 SMILES ACDLabs 10.04 "O=C2c1c(cccc1)C(=O)C(=C2C)C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)C" MQ7 SMILES_CANONICAL CACTVS 3.341 "CC(C)=CCCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CC1=C(C)C(=O)c2ccccc2C1=O" MQ7 SMILES CACTVS 3.341 "CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1=C(C)C(=O)c2ccccc2C1=O" MQ7 SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 "CC1=C(C(=O)c2ccccc2C1=O)C\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CCC=C(C)C" MQ7 SMILES "OpenEye OEToolkits" 1.5.0 "CC1=C(C(=O)c2ccccc2C1=O)CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C" MQ7 InChI InChI 1.03 ;InChI=1S/C46H64O2/c1-34(2)18-12-19-35(3)20-13-21-36(4)22-14-23-37(5)24-15-25-38(6)26-16-27-39(7)28-17-29-40(8)32-33-42-41(9)45(47)43-30-10-11-31-44(43)46(42)48/h10-11,18,20,22,24,26,28,30-32H,12-17,19,21,23,25,27,29,33H2,1-9H3/b35-20+,36-22+,37-24+,38-26+,39-28+,40-32+ ; MQ7 InChIKey InChI 1.03 RAKQPZMEYJZGPI-LJWNYQGCSA-N # 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 MQ7 "SYSTEMATIC NAME" ACDLabs 10.04 "2-[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaen-1-yl]-3-methylnaphthalene-1,4-dione" MQ7 "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 "2-[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaenyl]-3-methyl-naphthalene-1,4-dione" # loop_ _pdbx_chem_comp_audit.comp_id _pdbx_chem_comp_audit.action_type _pdbx_chem_comp_audit.date _pdbx_chem_comp_audit.processing_site MQ7 "Create component" 1999-07-08 RCSB MQ7 "Modify descriptor" 2011-06-04 RCSB #