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                    2008-10-14 
_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 InChI            InChI                1.02b 
;InChI=1/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                1.02b RAKQPZMEYJZGPI-LJWNYQGCBT 
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 
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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   
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