data_U10
# 
_chem_comp.id                                    U10 
_chem_comp.name                                  UBIQUINONE-10 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C59 H90 O4" 
_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                         ? 
_chem_comp.formula_weight                        863.343 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     U10 
_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        1AIG 
_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 
U10 C1   C1   C 0 1 N N N 76.533 111.275 39.245 0.451  -2.012 -16.522 C1   U10 1   
U10 C2   C2   C 0 1 N N N 76.748 112.129 38.153 1.710  -1.528 -17.127 C2   U10 2   
U10 C3   C3   C 0 1 N N N 77.989 112.237 37.537 1.856  -0.105 -17.488 C3   U10 3   
U10 C4   C4   C 0 1 N N N 79.045 111.491 38.016 0.832  0.753  -17.274 C4   U10 4   
U10 C5   C5   C 0 1 N N N 78.848 110.631 39.109 -0.423 0.263  -16.675 C5   U10 5   
U10 C6   C6   C 0 1 N N N 77.603 110.518 39.730 -0.561 -1.163 -16.310 C6   U10 6   
U10 C1M  C1M  C 0 1 N N N 75.155 111.172 39.875 0.305  -3.464 -16.148 C1M  U10 7   
U10 C3M  C3M  C 0 1 N N N 77.976 114.437 36.478 4.012  0.270  -17.018 C3M  U10 8   
U10 C4M  C4M  C 0 1 N N N 81.102 112.744 37.719 0.081  2.293  -18.713 C4M  U10 9   
U10 C7   C7   C 0 1 N N N 77.441 109.586 40.899 -1.845 -1.662 -15.698 C7   U10 10  
U10 C8   C8   C 0 1 N N N 76.782 108.380 40.506 -1.765 -1.545 -14.198 C8   U10 11  
U10 C9   C9   C 0 1 N N N 77.208 107.159 40.967 -2.710 -0.923 -13.538 C9   U10 12  
U10 C10  C10  C 0 1 N N N 78.392 106.986 41.887 -3.952 -0.461 -14.255 C10  U10 13  
U10 C11  C11  C 0 1 N N N 76.442 105.929 40.635 -2.554 -0.668 -12.061 C11  U10 14  
U10 C12  C12  C 0 1 N N N 75.062 106.018 41.219 -1.868 0.681  -11.845 C12  U10 15  
U10 C13  C13  C 0 1 N N N 74.619 104.664 41.397 -1.712 0.936  -10.368 C13  U10 16  
U10 C14  C14  C 0 1 N N N 73.333 104.327 41.755 -0.538 1.242  -9.876  C14  U10 17  
U10 C15  C15  C 0 1 N N N 72.303 105.427 41.999 0.624  1.494  -10.802 C15  U10 18  
U10 C16  C16  C 0 1 N N N 72.925 102.871 41.962 -0.348 1.342  -8.384  C16  U10 19  
U10 C17  C17  C 0 1 N N N 73.900 101.808 41.481 0.059  -0.023 -7.829  C17  U10 20  
U10 C18  C18  C 0 1 N N N 73.155 100.657 40.974 0.248  0.076  -6.338  C18  U10 21  
U10 C19  C19  C 0 1 N N N 73.759 99.498  40.502 -0.381 -0.750 -5.541  C19  U10 22  
U10 C20  C20  C 0 1 N N N 75.288 99.367  40.496 -1.381 -1.726 -6.105  C20  U10 23  
U10 C21  C21  C 0 1 N N N 72.891 98.362  39.976 -0.105 -0.726 -4.059  C21  U10 24  
U10 C22  C22  C 0 1 N N N 73.337 97.844  38.608 -1.062 0.254  -3.379  C22  U10 25  
U10 C23  C23  C 0 1 N N N 73.303 96.372  38.579 -0.786 0.279  -1.897  C23  U10 26  
U10 C24  C24  C 0 1 N N N 74.399 95.510  38.774 -0.379 1.384  -1.325  C24  U10 27  
U10 C25  C25  C 0 1 N N N 75.803 96.046  39.064 -0.028 2.584  -2.167  C25  U10 28  
U10 C26  C26  C 0 1 N N N 74.252 93.980  38.701 -0.261 1.457  0.175   C26  U10 29  
U10 C27  C27  C 0 1 N N N 74.535 93.293  37.326 1.143  1.022  0.597   C27  U10 30  
U10 C28  C28  C 0 1 N N N 73.760 93.894  36.217 1.261  1.095  2.098   C28  U10 31  
U10 C29  C29  C 0 1 N N N 72.365 93.858  36.045 1.690  0.057  2.772   C29  U10 32  
U10 C30  C30  C 0 1 N N N 71.409 93.145  37.022 2.227  -1.146 2.042   C30  U10 33  
U10 C31  C31  C 0 1 N N N 71.739 94.578  34.844 1.647  0.066  4.279   C31  U10 34  
U10 C32  C32  C 0 1 N N N 71.642 93.759  33.551 0.307  -0.500 4.754   C32  U10 35  
U10 C33  C33  C 0 1 N N N 70.633 92.725  33.701 0.264  -0.490 6.260   C33  U10 36  
U10 C34  C34  C 0 1 N N N 70.917 91.405  34.052 -0.688 0.157  6.884   C34  U10 37  
U10 C35  C35  C 0 1 N N N 72.340 90.890  34.302 -1.636 1.034  6.107   C35  U10 38  
U10 C36  C36  C 0 1 N N N 69.774 90.408  34.193 -0.834 0.027  8.378   C36  U10 39  
U10 C37  C37  C 0 1 N N N 69.641 89.413  33.011 0.001  1.106  9.069   C37  U10 40  
U10 C38  C38  C 0 1 N N N 69.516 90.081  31.687 -0.145 0.975  10.563  C38  U10 41  
U10 C39  C39  C 0 1 N N N 68.827 89.560  30.590 0.913  0.791  11.311  C39  U10 42  
U10 C40  C40  C 0 1 N N N 68.102 88.203  30.685 2.254  0.538  10.671  C40  U10 43  
U10 C41  C41  C 0 1 N N N 68.774 90.365  29.283 0.791  0.833  12.813  C41  U10 44  
U10 C42  C42  C 0 1 N N N 70.001 90.223  28.363 0.490  -0.570 13.340  C42  U10 45  
U10 C43  C43  C 0 1 N N N 69.738 89.263  27.295 0.368  -0.528 14.841  C43  U10 46  
U10 C44  C44  C 0 1 N N N 70.112 87.926  27.353 -0.734 -0.932 15.420  C44  U10 47  
U10 C45  C45  C 0 1 N N N 70.851 87.355  28.575 -1.941 -1.275 14.586  C45  U10 48  
U10 C46  C46  C 0 1 N N N 69.779 87.012  26.168 -0.797 -1.054 16.921  C46  U10 49  
U10 C47  C47  C 0 1 N N N 70.851 85.955  25.763 -1.269 0.271  17.521  C47  U10 50  
U10 C48  C48  C 0 1 N N N 72.163 86.540  25.363 -1.332 0.149  19.022  C48  U10 51  
U10 C49  C49  C 0 1 N N N 73.413 86.097  25.823 -0.718 1.026  19.776  C49  U10 52  
U10 C50  C50  C 0 1 N N N 73.478 84.937  26.827 -0.084 2.243  19.153  C50  U10 53  
U10 C51  C51  C 0 1 N N N 74.703 86.807  25.354 -0.647 0.819  21.267  C51  U10 54  
U10 C52  C52  C 0 1 N N N 75.961 85.947  25.074 0.613  0.022  21.612  C52  U10 55  
U10 C53  C53  C 0 1 N N N 76.781 85.984  26.283 0.684  -0.184 23.103  C53  U10 56  
U10 C54  C54  C 0 1 N N N 77.133 84.853  27.001 0.795  -1.394 23.591  C54  U10 57  
U10 C55  C55  C 0 1 N N N 77.920 85.018  28.298 0.693  -1.619 25.078  C55  U10 58  
U10 C56  C56  C 0 1 N N N 76.702 83.462  26.534 1.026  -2.562 22.666  C56  U10 59  
U10 O2   O2   O 0 1 N N N 75.815 112.784 37.715 2.628  -2.300 -17.318 O2   U10 60  
U10 O3   O3   O 0 1 N N N 78.192 113.032 36.423 3.014  0.341  -18.039 O3   U10 61  
U10 O4   O4   O 0 1 N N N 80.276 111.634 37.400 0.960  2.062  -17.610 O4   U10 62  
U10 O5   O5   O 0 1 N N N 79.770 109.939 39.530 -1.344 1.031  -16.482 O5   U10 63  
U10 H1M1 1H1M H 0 0 N N N 74.984 110.493 40.742 1.225  -3.996 -16.392 H1M1 U10 64  
U10 H1M2 2H1M H 0 0 N N N 74.821 112.197 40.159 0.111  -3.547 -15.079 H1M2 U10 65  
U10 H1M3 3H1M H 0 0 N N N 74.422 110.911 39.076 -0.524 -3.901 -16.703 H1M3 U10 66  
U10 H3M1 1H3M H 0 0 N N N 78.139 115.077 35.580 4.977  0.561  -17.432 H3M1 U10 67  
U10 H3M2 2H3M H 0 0 N N N 76.938 114.614 36.845 3.747  0.946  -16.204 H3M2 U10 68  
U10 H3M3 3H3M H 0 0 N N N 78.587 114.849 37.314 4.071  -0.749 -16.638 H3M3 U10 69  
U10 H4M1 1H4M H 0 0 N N N 82.093 112.859 37.222 0.103  3.350  -18.979 H4M1 U10 70  
U10 H4M2 2H4M H 0 0 N N N 80.515 113.678 37.558 0.404  1.696  -19.566 H4M2 U10 71  
U10 H4M3 3H4M H 0 0 N N N 81.254 112.764 38.823 -0.933 2.009  -18.434 H4M3 U10 72  
U10 H71  1H7  H 0 1 N N N 78.416 109.377 41.397 -2.679 -1.063 -16.065 H71  U10 73  
U10 H72  2H7  H 0 1 N N N 76.918 110.081 41.750 -1.998 -2.705 -15.974 H72  U10 74  
U10 H8   H8   H 0 1 N N N 75.915 108.392 39.823 -0.929 -1.975 -13.667 H8   U10 75  
U10 H101 1H10 H 0 0 N N N 78.738 105.994 42.261 -3.929 -0.816 -15.286 H101 U10 76  
U10 H102 2H10 H 0 0 N N N 79.265 107.478 41.399 -4.832 -0.861 -13.752 H102 U10 77  
U10 H103 3H10 H 0 0 N N N 78.216 107.633 42.777 -3.993 0.627  -14.247 H103 U10 78  
U10 H111 1H11 H 0 0 N N N 76.421 105.730 39.538 -3.537 -0.655 -11.589 H111 U10 79  
U10 H112 2H11 H 0 0 N N N 76.974 105.003 40.956 -1.949 -1.458 -11.617 H112 U10 80  
U10 H121 1H12 H 0 0 N N N 75.012 106.628 42.150 -0.885 0.669  -12.317 H121 U10 81  
U10 H122 2H12 H 0 0 N N N 74.361 106.638 40.612 -2.473 1.472  -12.289 H122 U10 82  
U10 H13  H13  H 0 1 N N N 75.316 103.822 41.248 -2.570 0.866  -9.715  H13  U10 83  
U10 H151 1H15 H 0 0 N N N 71.261 105.154 42.288 0.277  1.473  -11.835 H151 U10 84  
U10 H152 2H15 H 0 0 N N N 72.710 106.131 42.761 1.057  2.470  -10.584 H152 U10 85  
U10 H153 3H15 H 0 0 N N N 72.260 106.079 41.095 1.379  0.721  -10.656 H153 U10 86  
U10 H161 1H16 H 0 0 N N N 72.688 102.699 43.038 0.431  2.071  -8.165  H161 U10 87  
U10 H162 2H16 H 0 0 N N N 71.925 102.695 41.501 -1.282 1.659  -7.920  H162 U10 88  
U10 H171 1H17 H 0 0 N N N 74.621 102.206 40.730 -0.721 -0.752 -8.048  H171 U10 89  
U10 H172 2H17 H 0 0 N N N 74.633 101.520 42.270 0.993  -0.340 -8.294  H172 U10 90  
U10 H18  H18  H 0 1 N N N 72.052 100.663 40.945 0.904  0.829  -5.926  H18  U10 91  
U10 H201 1H20 H 0 0 N N N 75.772 98.437  40.117 -1.379 -1.661 -7.193  H201 U10 92  
U10 H202 2H20 H 0 0 N N N 75.711 100.234 39.938 -1.113 -2.738 -5.801  H202 U10 93  
U10 H203 3H20 H 0 0 N N N 75.660 99.560  41.529 -2.376 -1.485 -5.729  H203 U10 94  
U10 H211 1H21 H 0 0 N N N 72.836 97.529  40.716 -0.253 -1.723 -3.646  H211 U10 95  
U10 H212 2H21 H 0 0 N N N 71.817 98.660  39.955 0.922  -0.410 -3.886  H212 U10 96  
U10 H221 1H22 H 0 0 N N N 72.737 98.289  37.780 -0.914 1.252  -3.792  H221 U10 97  
U10 H222 2H22 H 0 0 N N N 74.338 98.241  38.320 -2.091 -0.061 -3.552  H222 U10 98  
U10 H23  H23  H 0 1 N N N 72.346 95.855  38.389 -0.925 -0.614 -1.307  H23  U10 99  
U10 H251 1H25 H 0 0 N N N 76.671 95.363  39.218 -0.083 2.316  -3.222  H251 U10 100 
U10 H252 2H25 H 0 0 N N N 76.070 96.760  38.250 -0.730 3.391  -1.960  H252 U10 101 
U10 H253 3H25 H 0 0 N N N 75.735 96.718  39.950 0.983  2.912  -1.928  H253 U10 102 
U10 H261 1H26 H 0 0 N N N 74.889 93.510  39.486 -0.439 2.481  0.504   H261 U10 103 
U10 H262 2H26 H 0 0 N N N 73.235 93.689  39.056 -0.998 0.795  0.630   H262 U10 104 
U10 H271 1H27 H 0 0 N N N 75.626 93.291  37.096 1.321  -0.000 0.268   H271 U10 105 
U10 H272 2H27 H 0 0 N N N 74.361 92.193  37.385 1.880  1.684  0.143   H272 U10 106 
U10 H28  H28  H 0 1 N N N 74.289 94.438  35.416 0.992  2.003  2.618   H28  U10 107 
U10 H301 1H30 H 0 0 N N N 70.302 93.116  36.885 2.147  -0.984 0.967   H301 U10 108 
U10 H302 2H30 H 0 0 N N N 71.758 92.090  37.117 3.273  -1.297 2.309   H302 U10 109 
U10 H303 3H30 H 0 0 N N N 71.607 93.556  38.039 1.650  -2.028 2.321   H303 U10 110 
U10 H311 1H31 H 0 0 N N N 70.733 94.972  35.119 2.459  -0.545 4.669   H311 U10 111 
U10 H312 2H31 H 0 0 N N N 72.281 95.532  34.649 1.757  1.089  4.639   H312 U10 112 
U10 H321 1H32 H 0 0 N N N 71.454 94.402  32.659 -0.505 0.112  4.363   H321 U10 113 
U10 H322 2H32 H 0 0 N N N 72.629 93.341  33.243 0.197  -1.522 4.394   H322 U10 114 
U10 H33  H33  H 0 1 N N N 69.568 92.960  33.535 1.018  -1.018 6.825   H33  U10 115 
U10 H351 1H35 H 0 0 N N N 72.567 89.835  34.582 -1.311 1.089  5.068   H351 U10 116 
U10 H352 2H35 H 0 0 N N N 72.944 91.130  33.396 -2.640 0.611  6.152   H352 U10 117 
U10 H353 3H35 H 0 0 N N N 72.799 91.546  35.077 -1.643 2.034  6.540   H353 U10 118 
U10 H361 1H36 H 0 0 N N N 69.856 89.855  35.158 -1.882 0.148  8.652   H361 U10 119 
U10 H362 2H36 H 0 0 N N N 68.810 90.943  34.360 -0.488 -0.957 8.692   H362 U10 120 
U10 H371 1H37 H 0 0 N N N 70.486 88.686  33.008 1.049  0.984  8.795   H371 U10 121 
U10 H372 2H37 H 0 0 N N N 68.793 88.709  33.180 -0.344 2.091  8.754   H372 U10 122 
U10 H38  H38  H 0 1 N N N 69.981 91.063  31.499 -1.123 1.034  11.016  H38  U10 123 
U10 H401 1H40 H 0 0 N N N 67.551 87.786  29.809 2.128  0.435  9.593   H401 U10 124 
U10 H402 2H40 H 0 0 N N N 68.838 87.439  31.027 2.921  1.374  10.881  H402 U10 125 
U10 H403 3H40 H 0 0 N N N 67.398 88.244  31.549 2.682  -0.378 11.076  H403 U10 126 
U10 H411 1H41 H 0 0 N N N 67.844 90.115  28.719 1.727  1.190  13.244  H411 U10 127 
U10 H412 2H41 H 0 0 N N N 68.587 91.441  29.506 -0.017 1.508  13.093  H412 U10 128 
U10 H421 1H42 H 0 0 N N N 70.331 91.208  27.960 -0.444 -0.927 12.909  H421 U10 129 
U10 H422 2H42 H 0 0 N N N 70.919 89.960  28.937 1.300  -1.245 13.060  H422 U10 130 
U10 H43  H43  H 0 1 N N N 69.216 89.571  26.373 1.191  -0.165 15.440  H43  U10 131 
U10 H451 1H45 H 0 0 N N N 71.151 86.282  28.621 -1.745 -1.024 13.543  H451 U10 132 
U10 H452 2H45 H 0 0 N N N 71.761 87.974  28.747 -2.150 -2.341 14.670  H452 U10 133 
U10 H453 3H45 H 0 0 N N N 70.243 87.582  29.481 -2.801 -0.707 14.940  H453 U10 134 
U10 H461 1H46 H 0 0 N N N 68.806 86.500  26.355 -1.495 -1.846 17.192  H461 U10 135 
U10 H462 2H46 H 0 0 N N N 69.518 87.634  25.280 0.193  -1.295 17.307  H462 U10 136 
U10 H471 1H47 H 0 0 N N N 70.989 85.206  26.578 -0.571 1.062  17.250  H471 U10 137 
U10 H472 2H47 H 0 0 N N N 70.458 85.289  24.959 -2.260 0.512  17.135  H472 U10 138 
U10 H48  H48  H 0 1 N N N 72.214 87.385  24.656 -1.883 -0.661 19.475  H48  U10 139 
U10 H501 1H50 H 0 0 N N N 74.470 84.585  27.192 -0.319 2.271  18.090  H501 U10 140 
U10 H502 2H50 H 0 0 N N N 72.843 85.191  27.707 -0.470 3.141  19.635  H502 U10 141 
U10 H503 3H50 H 0 0 N N N 72.925 84.066  26.402 0.996  2.197  19.285  H503 U10 142 
U10 H511 1H51 H 0 0 N N N 74.472 87.416  24.449 -0.612 1.787  21.767  H511 U10 143 
U10 H512 2H51 H 0 0 N N N 74.965 87.603  26.088 -1.527 0.269  21.600  H512 U10 144 
U10 H521 1H52 H 0 0 N N N 75.718 84.911  24.740 0.579  -0.945 21.111  H521 U10 145 
U10 H522 2H52 H 0 0 N N N 76.514 86.264  24.159 1.493  0.573  21.279  H522 U10 146 
U10 H53  H53  H 0 1 N N N 77.163 86.937  26.684 0.644  0.665  23.768  H53  U10 147 
U10 H551 1H55 H 0 0 N N N 78.203 84.107  28.876 0.809  -2.681 25.293  H551 U10 148 
U10 H552 2H55 H 0 0 N N N 78.840 85.611  28.087 1.477  -1.057 25.585  H552 U10 149 
U10 H553 3H55 H 0 0 N N N 77.363 85.712  28.970 -0.281 -1.282 25.430  H553 U10 150 
U10 H561 1H56 H 0 0 N N N 76.985 82.551  27.112 1.180  -2.196 21.651  H561 U10 151 
U10 H562 2H56 H 0 0 N N N 75.593 83.464  26.411 1.908  -3.114 22.991  H562 U10 152 
U10 H563 3H56 H 0 0 N N N 77.046 83.326  25.482 0.157  -3.220 22.688  H563 U10 153 
# 
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 
U10 C1  C2   SING N N 1   
U10 C1  C6   DOUB N N 2   
U10 C1  C1M  SING N N 3   
U10 C2  C3   SING N N 4   
U10 C2  O2   DOUB N N 5   
U10 C3  C4   DOUB N N 6   
U10 C3  O3   SING N N 7   
U10 C4  C5   SING N N 8   
U10 C4  O4   SING N N 9   
U10 C5  C6   SING N N 10  
U10 C5  O5   DOUB N N 11  
U10 C6  C7   SING N N 12  
U10 C1M H1M1 SING N N 13  
U10 C1M H1M2 SING N N 14  
U10 C1M H1M3 SING N N 15  
U10 C3M O3   SING N N 16  
U10 C3M H3M1 SING N N 17  
U10 C3M H3M2 SING N N 18  
U10 C3M H3M3 SING N N 19  
U10 C4M O4   SING N N 20  
U10 C4M H4M1 SING N N 21  
U10 C4M H4M2 SING N N 22  
U10 C4M H4M3 SING N N 23  
U10 C7  C8   SING N N 24  
U10 C7  H71  SING N N 25  
U10 C7  H72  SING N N 26  
U10 C8  C9   DOUB N E 27  
U10 C8  H8   SING N N 28  
U10 C9  C10  SING N N 29  
U10 C9  C11  SING N N 30  
U10 C10 H101 SING N N 31  
U10 C10 H102 SING N N 32  
U10 C10 H103 SING N N 33  
U10 C11 C12  SING N N 34  
U10 C11 H111 SING N N 35  
U10 C11 H112 SING N N 36  
U10 C12 C13  SING N N 37  
U10 C12 H121 SING N N 38  
U10 C12 H122 SING N N 39  
U10 C13 C14  DOUB N E 40  
U10 C13 H13  SING N N 41  
U10 C14 C15  SING N N 42  
U10 C14 C16  SING N N 43  
U10 C15 H151 SING N N 44  
U10 C15 H152 SING N N 45  
U10 C15 H153 SING N N 46  
U10 C16 C17  SING N N 47  
U10 C16 H161 SING N N 48  
U10 C16 H162 SING N N 49  
U10 C17 C18  SING N N 50  
U10 C17 H171 SING N N 51  
U10 C17 H172 SING N N 52  
U10 C18 C19  DOUB N E 53  
U10 C18 H18  SING N N 54  
U10 C19 C20  SING N N 55  
U10 C19 C21  SING N N 56  
U10 C20 H201 SING N N 57  
U10 C20 H202 SING N N 58  
U10 C20 H203 SING N N 59  
U10 C21 C22  SING N N 60  
U10 C21 H211 SING N N 61  
U10 C21 H212 SING N N 62  
U10 C22 C23  SING N N 63  
U10 C22 H221 SING N N 64  
U10 C22 H222 SING N N 65  
U10 C23 C24  DOUB N E 66  
U10 C23 H23  SING N N 67  
U10 C24 C25  SING N N 68  
U10 C24 C26  SING N N 69  
U10 C25 H251 SING N N 70  
U10 C25 H252 SING N N 71  
U10 C25 H253 SING N N 72  
U10 C26 C27  SING N N 73  
U10 C26 H261 SING N N 74  
U10 C26 H262 SING N N 75  
U10 C27 C28  SING N N 76  
U10 C27 H271 SING N N 77  
U10 C27 H272 SING N N 78  
U10 C28 C29  DOUB N E 79  
U10 C28 H28  SING N N 80  
U10 C29 C30  SING N N 81  
U10 C29 C31  SING N N 82  
U10 C30 H301 SING N N 83  
U10 C30 H302 SING N N 84  
U10 C30 H303 SING N N 85  
U10 C31 C32  SING N N 86  
U10 C31 H311 SING N N 87  
U10 C31 H312 SING N N 88  
U10 C32 C33  SING N N 89  
U10 C32 H321 SING N N 90  
U10 C32 H322 SING N N 91  
U10 C33 C34  DOUB N E 92  
U10 C33 H33  SING N N 93  
U10 C34 C35  SING N N 94  
U10 C34 C36  SING N N 95  
U10 C35 H351 SING N N 96  
U10 C35 H352 SING N N 97  
U10 C35 H353 SING N N 98  
U10 C36 C37  SING N N 99  
U10 C36 H361 SING N N 100 
U10 C36 H362 SING N N 101 
U10 C37 C38  SING N N 102 
U10 C37 H371 SING N N 103 
U10 C37 H372 SING N N 104 
U10 C38 C39  DOUB N E 105 
U10 C38 H38  SING N N 106 
U10 C39 C40  SING N N 107 
U10 C39 C41  SING N N 108 
U10 C40 H401 SING N N 109 
U10 C40 H402 SING N N 110 
U10 C40 H403 SING N N 111 
U10 C41 C42  SING N N 112 
U10 C41 H411 SING N N 113 
U10 C41 H412 SING N N 114 
U10 C42 C43  SING N N 115 
U10 C42 H421 SING N N 116 
U10 C42 H422 SING N N 117 
U10 C43 C44  DOUB N E 118 
U10 C43 H43  SING N N 119 
U10 C44 C45  SING N N 120 
U10 C44 C46  SING N N 121 
U10 C45 H451 SING N N 122 
U10 C45 H452 SING N N 123 
U10 C45 H453 SING N N 124 
U10 C46 C47  SING N N 125 
U10 C46 H461 SING N N 126 
U10 C46 H462 SING N N 127 
U10 C47 C48  SING N N 128 
U10 C47 H471 SING N N 129 
U10 C47 H472 SING N N 130 
U10 C48 C49  DOUB N E 131 
U10 C48 H48  SING N N 132 
U10 C49 C50  SING N N 133 
U10 C49 C51  SING N N 134 
U10 C50 H501 SING N N 135 
U10 C50 H502 SING N N 136 
U10 C50 H503 SING N N 137 
U10 C51 C52  SING N N 138 
U10 C51 H511 SING N N 139 
U10 C51 H512 SING N N 140 
U10 C52 C53  SING N N 141 
U10 C52 H521 SING N N 142 
U10 C52 H522 SING N N 143 
U10 C53 C54  DOUB N N 144 
U10 C53 H53  SING N N 145 
U10 C54 C55  SING N N 146 
U10 C54 C56  SING N N 147 
U10 C55 H551 SING N N 148 
U10 C55 H552 SING N N 149 
U10 C55 H553 SING N N 150 
U10 C56 H561 SING N N 151 
U10 C56 H562 SING N N 152 
U10 C56 H563 SING N N 153 
# 
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 
U10 SMILES           ACDLabs              10.04 O=C1C(=C(C(=O)C(OC)=C1OC)C)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)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)C 
U10 InChI            InChI                1.02b 
;InChI=1/C59H90O4/c1-44(2)24-15-25-45(3)26-16-27-46(4)28-17-29-47(5)30-18-31-48(6)32-19-33-49(7)34-20-35-50(8)36-21-37-51(9)38-22-39-52(10)40-23-41-53(11)42-43-55-54(12)56(60)58(62-13)59(63-14)57(55)61/h24,26,28,30,32,34,36,38,40,42H,15-23,25,27,29,31,33,35,37,39,41,43H2,1-14H3/b45-26+,46-28+,47-30+,48-32+,49-34+,50-36+,51-38+,52-40+,53-42+
;
U10 InChIKey         InChI                1.02b ACTIUHUUMQJHFO-UPTCCGCDBK 
U10 SMILES_CANONICAL CACTVS               3.341 COC1=C(OC)C(=O)C(=C(C)C1=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)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C 
U10 SMILES           CACTVS               3.341 COC1=C(OC)C(=O)C(=C(C)C1=O)CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C 
U10 SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 CC1=C(C(=O)C(=C(C1=O)OC)OC)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)\CC\C=C(/C)\CC\C=C(/C)\CCC=C(C)C 
U10 SMILES           "OpenEye OEToolkits" 1.5.0 CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C 
# 
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 
U10 "SYSTEMATIC NAME" ACDLabs              10.04 2-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaen-1-yl]-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione 
U10 "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 2-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaenyl]-5,6-dimethoxy-3-methyl-cyclohexa-2,5-diene-1,4-dione   
# 
