data_UQ8
#

_chem_comp.id                                   UQ8
_chem_comp.name                                 Ubiquinone-8
_chem_comp.type                                 NON-POLYMER
_chem_comp.pdbx_type                            HETAIN
_chem_comp.formula                              "C49 H74 O4"
_chem_comp.mon_nstd_parent_comp_id              ?
_chem_comp.pdbx_synonyms                        
;2,3-dimethoxy-5-methyl-6-[(6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-oc
taen-1-yl]cyclohexa-2,5-diene-1,4-dione
;

_chem_comp.pdbx_formal_charge                   0
_chem_comp.pdbx_initial_date                    2008-08-21
_chem_comp.pdbx_modified_date                   2020-06-17
_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                       727.109
_chem_comp.one_letter_code                      ?
_chem_comp.three_letter_code                    UQ8
_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       3E8T
_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
UQ8  C45   C45   C  0  1  N  N  N    4.261   -9.308   -4.788   20.352   1.835  -1.219  C45   UQ8    1  
UQ8  C44   C44   C  0  1  N  N  N    3.717   -7.878   -4.739   18.862   1.622  -1.144  C44   UQ8    2  
UQ8  C46   C46   C  0  1  N  N  N    3.575   -7.461   -3.299   18.114   1.104  -2.345  C46   UQ8    3  
UQ8  C43   C43   C  0  1  N  N  N    2.396   -7.717   -5.468   18.217   1.887  -0.034  C43   UQ8    4  
UQ8  C42   C42   C  0  1  N  N  N    2.424   -8.408   -6.840   16.727   1.673   0.041  C42   UQ8    5  
UQ8  C41   C41   C  0  1  N  N  N    3.339   -7.631   -7.777   16.403   0.753   1.219  C41   UQ8    6  
UQ8  C39   C39   C  0  1  N  N  N    2.695   -7.493   -9.140   14.913   0.540   1.294  C39   UQ8    7  
UQ8  C40   C40   C  0  1  N  N  N    3.394   -7.984  -10.406   14.045   1.536   2.019  C40   UQ8    8  
UQ8  C38   C38   C  0  1  N  N  N    1.492   -6.850   -9.255   14.372  -0.511   0.729  C38   UQ8    9  
UQ8  C37   C37   C  0  1  N  N  N    0.805   -6.670  -10.447   12.873  -0.659   0.691  C37   UQ8   10  
UQ8  C36   C36   C  0  1  N  N  N   -0.594   -6.203  -10.044   12.415  -0.843  -0.757  C36   UQ8   11  
UQ8  C34   C34   C  0  1  N  N  N   -1.556   -6.123  -11.215   10.916  -0.991  -0.795  C34   UQ8   12  
UQ8  C35   C35   C  0  1  N  N  N   -2.883   -5.900  -10.877   10.286  -2.342  -0.576  C35   UQ8   13  
UQ8  C33   C33   C  0  1  N  N  N   -1.125   -6.344  -12.521   10.160   0.056  -1.018  C33   UQ8   14  
UQ8  C32   C32   C  0  1  N  N  N   -1.860   -6.274  -13.700    8.661  -0.065  -0.928  C32   UQ8   15  
UQ8  C31   C31   C  0  1  N  N  N   -1.176   -7.194  -14.746    8.125   0.965   0.069  C31   UQ8   16  
UQ8  C29   C29   C  0  1  N  N  N   -1.784   -7.085  -16.137    6.626   0.844   0.159  C29   UQ8   17  
UQ8  C30   C30   C  0  1  N  N  N   -2.130   -5.685  -16.737    5.751   1.565  -0.834  C30   UQ8   18  
UQ8  C28   C28   C  0  1  N  N  N   -2.035   -8.238  -16.873    6.083   0.113   1.101  C28   UQ8   19  
UQ8  C27   C27   C  0  1  N  N  N   -2.588   -8.273  -18.147    4.591  -0.101   1.123  C27   UQ8   20  
UQ8  C26   C26   C  0  1  N  N  N   -2.080   -9.477  -18.954    4.291  -1.601   1.115  C26   UQ8   21  
UQ8  C24   C24   C  0  1  N  N  N   -2.876   -9.635  -20.254    2.799  -1.814   1.138  C24   UQ8   22  
UQ8  C25   C25   C  0  1  N  N  N   -4.352  -10.067  -20.220    2.058  -1.820   2.450  C25   UQ8   23  
UQ8  C23   C23   C  0  1  N  N  N   -2.261   -9.379  -21.460    2.146  -1.995   0.016  C23   UQ8   24  
UQ8  C22   C22   C  0  1  N  N  N   -2.825   -9.479  -22.735    0.643  -2.096   0.028  C22   UQ8   25  
UQ8  C21   C21   C  0  1  N  N  N   -1.865   -8.952  -23.801    0.052  -1.006  -0.868  C21   UQ8   26  
UQ8  C19   C19   C  0  1  N  N  N   -2.493   -8.687  -25.170   -1.452  -1.107  -0.857  C19   UQ8   27  
UQ8  C20   C20   C  0  1  N  N  N   -1.527   -8.000  -26.134   -2.150  -2.056  -1.796  C20   UQ8   28  
UQ8  C18   C18   C  0  1  N  N  N   -3.162   -9.925  -25.783   -2.152  -0.370  -0.031  C18   UQ8   29  
UQ8  C17   C17   C  0  1  N  N  N   -3.689   -9.637  -27.196   -3.657  -0.375  -0.106  C17   UQ8   30  
UQ8  C16   C16   C  0  1  N  N  N   -4.756  -10.645  -27.655   -4.234  -0.816   1.240  C16   UQ8   31  
UQ8  C14   C14   C  0  1  N  N  N   -4.935  -10.519  -29.164   -5.739  -0.821   1.165  C14   UQ8   32  
UQ8  C15   C15   C  0  1  N  N  N   -4.905   -9.119  -29.805   -6.510   0.450   1.414  C15   UQ8   33  
UQ8  C13   C13   C  0  1  N  N  N   -5.093  -11.643  -29.972   -6.377  -1.930   0.883  C13   UQ8   34  
UQ8  C12   C12   C  0  1  N  N  N   -5.238  -11.565  -31.355   -7.870  -1.909   0.679  C12   UQ8   35  
UQ8  C11   C11   C  0  1  N  N  N   -6.040  -12.736  -31.959   -8.206  -2.503  -0.690  C11   UQ8   36  
UQ8  C9    C9    C  0  1  N  N  N   -6.694  -12.340  -33.296   -9.699  -2.483  -0.893  C9    UQ8   37  
UQ8  C10   C10   C  0  1  N  N  N   -6.055  -11.085  -33.914  -10.548  -3.607  -0.358  C10   UQ8   38  
UQ8  C8    C8    C  0  1  N  N  N   -6.618  -13.528  -34.251  -10.259  -1.488  -1.536  C8    UQ8   39  
UQ8  C7    C7    C  0  1  N  N  N   -5.645  -13.300  -35.412  -11.761  -1.395  -1.620  C7    UQ8   40  
UQ8  C6    C6    C  0  1  N  N  N   -6.264  -12.498  -36.582  -12.216  -0.075  -1.054  C6    UQ8   41  
UQ8  C1    C1    C  0  1  N  N  N   -5.520  -11.473  -37.179  -12.425   0.965  -1.869  C1    UQ8   42  
UQ8  C1M   C1M   C  0  1  N  N  N   -4.242  -11.210  -36.687  -12.205   0.814  -3.352  C1M   UQ8   43  
UQ8  C2    C2    C  0  1  N  N  N   -6.030  -10.713  -38.239  -12.872   2.262  -1.318  C2    UQ8   44  
UQ8  O2    O2    O  0  1  N  N  N   -5.371   -9.813  -38.767  -13.062   3.205  -2.060  O2    UQ8   45  
UQ8  C3    C3    C  0  1  N  N  N   -7.300  -10.975  -38.728  -13.088   2.412   0.134  C3    UQ8   46  
UQ8  O3    O3    O  0  1  N  N  N   -7.794  -10.235  -39.761  -13.499   3.602   0.642  O3    UQ8   47  
UQ8  C3M   C3M   C  0  1  N  N  N   -7.366  -10.785  -41.006  -14.811   4.041   0.285  C3M   UQ8   48  
UQ8  C4    C4    C  0  1  N  N  N   -8.067  -11.981  -38.153  -12.877   1.360   0.959  C4    UQ8   49  
UQ8  O4    O4    O  0  1  N  N  N   -9.317  -12.224  -38.649  -13.075   1.493   2.295  O4    UQ8   50  
UQ8  C4M   C4M   C  0  1  N  N  N  -10.097  -11.019  -38.670  -11.922   1.399   3.135  C4M   UQ8   51  
UQ8  C5    C5    C  0  1  N  N  N   -7.554  -12.735  -37.088  -12.436   0.066   0.402  C5    UQ8   52  
UQ8  O5    O5    O  0  1  N  N  N   -8.254  -13.629  -36.605  -12.246  -0.880   1.140  O5    UQ8   53  
UQ8  H45   H45   H  0  1  N  N  N    4.391   -9.616   -5.836   20.557   2.851  -1.557  H45   UQ8   54  
UQ8  H45A  H45A  H  0  0  N  N  N    5.231   -9.349   -4.271   20.791   1.685  -0.232  H45A  UQ8   55  
UQ8  H45B  H45B  H  0  0  N  N  N    3.552   -9.987   -4.293   20.786   1.124  -1.921  H45B  UQ8   56  
UQ8  H46   H46   H  0  1  N  N  N    3.540   -8.355   -2.659   18.812   0.943  -3.166  H46   UQ8   57  
UQ8  H46A  H46A  H  0  0  N  N  N    4.435   -6.838   -3.011   17.627   0.162  -2.091  H46A  UQ8   58  
UQ8  H46B  H46B  H  0  0  N  N  N    2.646   -6.885   -3.174   17.360   1.832  -2.645  H46B  UQ8   59  
UQ8  H43   H43   H  0  1  N  N  N    1.544   -7.184   -5.073   18.754   2.258   0.826  H43   UQ8   60  
UQ8  H42   H42   H  0  1  N  N  N    2.801   -9.435   -6.727   16.230   2.633   0.181  H42   UQ8   61  
UQ8  H42A  H42A  H  0  0  N  N  N    1.407   -8.437   -7.259   16.379   1.215  -0.885  H42A  UQ8   62  
UQ8  H41   H41   H  0  1  N  N  N    3.520   -6.630   -7.359   16.900  -0.206   1.079  H41   UQ8   63  
UQ8  H41A  H41A  H  0  0  N  N  N    4.290   -8.173   -7.882   16.751   1.212   2.145  H41A  UQ8   64  
UQ8  H40   H40   H  0  1  N  N  N    2.654   -8.102  -11.212   14.674   2.287   2.496  H40   UQ8   65  
UQ8  H40A  H40A  H  0  0  N  N  N    4.155   -7.251  -10.712   13.376   2.021   1.308  H40A  UQ8   66  
UQ8  H40B  H40B  H  0  0  N  N  N    3.876   -8.952  -10.206   13.456   1.020   2.778  H40B  UQ8   67  
UQ8  H38   H38   H  0  1  N  N  N    1.046   -6.455   -8.354   15.001  -1.272   0.290  H38   UQ8   68  
UQ8  H37   H37   H  0  1  N  N  N    1.303   -5.917  -11.076   12.579  -1.528   1.278  H37   UQ8   69  
UQ8  H37A  H37A  H  0  0  N  N  N    0.770   -7.596  -11.040   12.409   0.235   1.108  H37A  UQ8   70  
UQ8  H36   H36   H  0  1  N  N  N   -0.999   -6.918   -9.313   12.710   0.027  -1.345  H36   UQ8   71  
UQ8  H36A  H36A  H  0  0  N  N  N   -0.496   -5.189   -9.628   12.879  -1.737  -1.174  H36A  UQ8   72  
UQ8  H35   H35   H  0  1  N  N  N   -2.978   -5.841   -9.783   11.067  -3.098  -0.497  H35   UQ8   73  
UQ8  H35A  H35A  H  0  0  N  N  N   -3.222   -4.955  -11.326    9.701  -2.326   0.343  H35A  UQ8   74  
UQ8  H35B  H35B  H  0  0  N  N  N   -3.501   -6.728  -11.254    9.635  -2.580  -1.417  H35B  UQ8   75  
UQ8  H33   H33   H  0  1  N  N  N   -0.083   -6.604  -12.633   10.612   1.005  -1.267  H33   UQ8   76  
UQ8  H32   H32   H  0  1  N  N  N   -2.891   -6.611  -13.520    8.222   0.117  -1.909  H32   UQ8   77  
UQ8  H32A  H32A  H  0  0  N  N  N   -1.894   -5.238  -14.067    8.396  -1.068  -0.592  H32A  UQ8   78  
UQ8  H31   H31   H  0  1  N  N  N   -0.115   -6.909  -14.812    8.564   0.783   1.050  H31   UQ8   79  
UQ8  H31A  H31A  H  0  0  N  N  N   -1.315   -8.232  -14.409    8.390   1.967  -0.267  H31A  UQ8   80  
UQ8  H30   H30   H  0  1  N  N  N   -2.211   -4.947  -15.925    6.376   2.062  -1.575  H30   UQ8   81  
UQ8  H30A  H30A  H  0  0  N  N  N   -1.335   -5.378  -17.433    5.098   0.847  -1.331  H30A  UQ8   82  
UQ8  H30B  H30B  H  0  0  N  N  N   -3.087   -5.744  -17.276    5.145   2.306  -0.313  H30B  UQ8   83  
UQ8  H28   H28   H  0  1  N  N  N   -1.779   -9.183  -16.417    6.704  -0.337   1.861  H28   UQ8   84  
UQ8  H27   H27   H  0  1  N  N  N   -3.682   -8.345  -18.055    4.174   0.349   2.024  H27   UQ8   85  
UQ8  H27A  H27A  H  0  0  N  N  N   -2.292   -7.355  -18.676    4.144   0.364   0.244  H27A  UQ8   86  
UQ8  H26   H26   H  0  1  N  N  N   -1.019   -9.322  -19.199    4.708  -2.050   0.214  H26   UQ8   87  
UQ8  H26A  H26A  H  0  0  N  N  N   -2.207  -10.387  -18.349    4.738  -2.066   1.994  H26A  UQ8   88  
UQ8  H25   H25   H  0  1  N  N  N   -4.680  -10.170  -19.175    2.750  -1.585   3.259  H25   UQ8   89  
UQ8  H25A  H25A  H  0  0  N  N  N   -4.968   -9.308  -20.725    1.265  -1.073   2.423  H25A  UQ8   90  
UQ8  H25B  H25B  H  0  0  N  N  N   -4.463  -11.032  -20.736    1.624  -2.805   2.618  H25B  UQ8   91  
UQ8  H23   H23   H  0  1  N  N  N   -1.228   -9.066  -21.415    2.686  -2.072  -0.916  H23   UQ8   92  
UQ8  H22   H22   H  0  1  N  N  N   -3.048  -10.535  -22.945    0.342  -3.076  -0.344  H22   UQ8   93  
UQ8  H22A  H22A  H  0  0  N  N  N   -3.744   -8.876  -22.761    0.278  -1.967   1.047  H22A  UQ8   94  
UQ8  H21   H21   H  0  1  N  N  N   -1.452   -8.001  -23.435    0.353  -0.027  -0.496  H21   UQ8   95  
UQ8  H21A  H21A  H  0  0  N  N  N   -1.112   -9.739  -23.954    0.417  -1.136  -1.887  H21A  UQ8   96  
UQ8  H20   H20   H  0  1  N  N  N   -2.027   -7.835  -27.100   -1.408  -2.642  -2.340  H20   UQ8   97  
UQ8  H20A  H20A  H  0  0  N  N  N   -1.215   -7.033  -25.713   -2.794  -2.726  -1.225  H20A  UQ8   98  
UQ8  H20B  H20B  H  0  0  N  N  N   -0.643   -8.638  -26.284   -2.754  -1.488  -2.504  H20B  UQ8   99  
UQ8  H18   H18   H  0  1  N  N  N   -3.251  -10.878  -25.283   -1.650   0.241   0.705  H18   UQ8  100  
UQ8  H17   H17   H  0  1  N  N  N   -4.138   -8.633  -27.200   -4.012   0.628  -0.343  H17   UQ8  101  
UQ8  H17A  H17A  H  0  0  N  N  N   -2.839   -9.716  -27.889   -3.979  -1.068  -0.884  H17A  UQ8  102  
UQ8  H16   H16   H  0  1  N  N  N   -4.433  -11.666  -27.404   -3.878  -1.819   1.477  H16   UQ8  103  
UQ8  H16A  H16A  H  0  0  N  N  N   -5.709  -10.436  -27.147   -3.911  -0.123   2.018  H16A  UQ8  104  
UQ8  H15   H15   H  0  1  N  N  N   -4.898   -8.354  -29.015   -5.822   1.238   1.719  H15   UQ8  105  
UQ8  H15A  H15A  H  0  0  N  N  N   -4.000   -9.018  -30.422   -7.023   0.748   0.500  H15A  UQ8  106  
UQ8  H15B  H15B  H  0  0  N  N  N   -5.796   -8.986  -30.436   -7.243   0.281   2.203  H15B  UQ8  107  
UQ8  H13   H13   H  0  1  N  N  N   -5.103  -12.617  -29.506   -5.832  -2.859   0.796  H13   UQ8  108  
UQ8  H12   H12   H  0  1  N  N  N   -5.767  -10.630  -31.591   -8.351  -2.499   1.459  H12   UQ8  109  
UQ8  H12A  H12A  H  0  0  N  N  N   -4.228  -11.604  -31.790   -8.229  -0.881   0.728  H12A  UQ8  110  
UQ8  H11   H11   H  0  1  N  N  N   -5.357  -13.581  -32.134   -7.725  -1.913  -1.470  H11   UQ8  111  
UQ8  H11A  H11A  H  0  0  N  N  N   -6.836  -13.012  -31.252   -7.847  -3.531  -0.738  H11A  UQ8  112  
UQ8  H10   H10   H  0  1  N  N  N   -5.902  -10.327  -33.131   -9.904  -4.380   0.062  H10   UQ8  113  
UQ8  H10A  H10A  H  0  0  N  N  N   -5.086  -11.350  -34.362  -11.211  -3.224   0.418  H10A  UQ8  114  
UQ8  H10B  H10B  H  0  0  N  N  N   -6.720  -10.680  -34.691  -11.143  -4.030  -1.168  H10B  UQ8  115  
UQ8  H8    H8    H  0  1  N  N  N   -7.190  -14.435  -34.122   -9.644  -0.733  -2.004  H8    UQ8  116  
UQ8  H7    H7    H  0  1  N  N  N   -4.780  -12.738  -35.030  -12.071  -1.470  -2.663  H7    UQ8  117  
UQ8  H7A   H7A   H  0  1  N  N  N   -5.366  -14.289  -35.804  -12.208  -2.210  -1.050  H7A   UQ8  118  
UQ8  H1M   H1M   H  0  1  N  N  N   -3.533  -11.141  -37.525  -13.131   0.490  -3.826  H1M   UQ8  119  
UQ8  H1MA  H1MA  H  0  0  N  N  N   -4.251  -10.259  -36.135  -11.897   1.772  -3.773  H1MA  UQ8  120  
UQ8  H1MB  H1MB  H  0  0  N  N  N   -3.934  -12.023  -36.013  -11.427   0.072  -3.531  H1MB  UQ8  121  
UQ8  H3M   H3M   H  0  1  N  N  N   -7.256   -9.978  -41.745  -14.903   4.066  -0.801  H3M   UQ8  122  
UQ8  H3MA  H3MA  H  0  0  N  N  N   -6.399  -11.292  -40.870  -15.550   3.353   0.696  H3MA  UQ8  123  
UQ8  H3MB  H3MB  H  0  0  N  N  N   -8.113  -11.509  -41.363  -14.982   5.040   0.687  H3MB  UQ8  124  
UQ8  H4M   H4M   H  0  1  N  N  N  -10.297  -10.693  -37.639  -11.172   2.119   2.804  H4M   UQ8  125  
UQ8  H4MA  H4MA  H  0  0  N  N  N   -9.542  -10.232  -39.202  -12.204   1.615   4.165  H4MA  UQ8  126  
UQ8  H4MB  H4MB  H  0  0  N  N  N  -11.050  -11.209  -39.185  -11.509   0.392   3.074  H4MB  UQ8  127  
#   #
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
UQ8  C45  C44   SING  N  N    1  
UQ8  C45  H45   SING  N  N    2  
UQ8  C45  H45A  SING  N  N    3  
UQ8  C45  H45B  SING  N  N    4  
UQ8  C43  C44   DOUB  N  N    5  
UQ8  C44  C46   SING  N  N    6  
UQ8  C46  H46   SING  N  N    7  
UQ8  C46  H46A  SING  N  N    8  
UQ8  C46  H46B  SING  N  N    9  
UQ8  C42  C43   SING  N  N   10  
UQ8  C43  H43   SING  N  N   11  
UQ8  C41  C42   SING  N  N   12  
UQ8  C42  H42   SING  N  N   13  
UQ8  C42  H42A  SING  N  N   14  
UQ8  C39  C41   SING  N  N   15  
UQ8  C41  H41   SING  N  N   16  
UQ8  C41  H41A  SING  N  N   17  
UQ8  C40  C39   SING  N  N   18  
UQ8  C38  C39   DOUB  N  N   19  
UQ8  C40  H40   SING  N  N   20  
UQ8  C40  H40A  SING  N  N   21  
UQ8  C40  H40B  SING  N  E   22  
UQ8  C37  C38   SING  N  N   23  
UQ8  C38  H38   SING  N  N   24  
UQ8  C37  C36   SING  N  N   25  
UQ8  C37  H37   SING  N  N   26  
UQ8  C37  H37A  SING  N  N   27  
UQ8  C34  C36   SING  N  N   28  
UQ8  C36  H36   SING  N  N   29  
UQ8  C36  H36A  SING  N  N   30  
UQ8  C33  C34   DOUB  N  N   31  
UQ8  C34  C35   SING  N  N   32  
UQ8  C35  H35   SING  N  N   33  
UQ8  C35  H35A  SING  N  N   34  
UQ8  C32  C33   SING  N  E   35  
UQ8  C33  H33   SING  N  N   36  
UQ8  C35  H35B  SING  N  N   37  
UQ8  C31  C32   SING  N  N   38  
UQ8  C32  H32   SING  N  N   39  
UQ8  C32  H32A  SING  N  N   40  
UQ8  C29  C31   SING  N  N   41  
UQ8  C31  H31   SING  N  N   42  
UQ8  C31  H31A  SING  N  N   43  
UQ8  C28  C29   DOUB  N  N   44  
UQ8  C30  C29   SING  N  N   45  
UQ8  C30  H30   SING  N  N   46  
UQ8  C30  H30A  SING  N  N   47  
UQ8  C30  H30B  SING  N  E   48  
UQ8  C27  C28   SING  N  N   49  
UQ8  C28  H28   SING  N  N   50  
UQ8  C26  C27   SING  N  N   51  
UQ8  C27  H27   SING  N  N   52  
UQ8  C27  H27A  SING  N  N   53  
UQ8  C24  C26   SING  N  N   54  
UQ8  C26  H26   SING  N  N   55  
UQ8  C26  H26A  SING  N  N   56  
UQ8  C23  C24   DOUB  N  N   57  
UQ8  C24  C25   SING  N  N   58  
UQ8  C25  H25   SING  N  N   59  
UQ8  C25  H25A  SING  N  N   60  
UQ8  C25  H25B  SING  N  E   61  
UQ8  C22  C23   SING  N  N   62  
UQ8  C23  H23   SING  N  N   63  
UQ8  C21  C22   SING  N  N   64  
UQ8  C22  H22   SING  N  N   65  
UQ8  C22  H22A  SING  N  N   66  
UQ8  C19  C21   SING  N  N   67  
UQ8  C21  H21   SING  N  N   68  
UQ8  C21  H21A  SING  N  N   69  
UQ8  C20  C19   SING  N  N   70  
UQ8  C18  C19   DOUB  N  N   71  
UQ8  C20  H20   SING  N  N   72  
UQ8  C20  H20A  SING  N  N   73  
UQ8  C20  H20B  SING  N  E   74  
UQ8  C17  C18   SING  N  N   75  
UQ8  C18  H18   SING  N  N   76  
UQ8  C16  C17   SING  N  N   77  
UQ8  C17  H17   SING  N  N   78  
UQ8  C17  H17A  SING  N  N   79  
UQ8  C14  C16   SING  N  N   80  
UQ8  C16  H16   SING  N  N   81  
UQ8  C16  H16A  SING  N  N   82  
UQ8  C13  C14   DOUB  N  N   83  
UQ8  C15  C14   SING  N  N   84  
UQ8  C15  H15   SING  N  N   85  
UQ8  C15  H15A  SING  N  N   86  
UQ8  C15  H15B  SING  N  E   87  
UQ8  C12  C13   SING  N  N   88  
UQ8  C13  H13   SING  N  N   89  
UQ8  C11  C12   SING  N  N   90  
UQ8  C12  H12   SING  N  N   91  
UQ8  C12  H12A  SING  N  N   92  
UQ8  C9   C11   SING  N  N   93  
UQ8  C11  H11   SING  N  N   94  
UQ8  C11  H11A  SING  N  N   95  
UQ8  C8   C9    DOUB  N  N   96  
UQ8  C10  C9    SING  N  N   97  
UQ8  C10  H10   SING  N  N   98  
UQ8  C10  H10A  SING  N  N   99  
UQ8  C10  H10B  SING  N  E  100  
UQ8  C7   C8    SING  N  N  101  
UQ8  C8   H8    SING  N  N  102  
UQ8  C6   C7    SING  N  N  103  
UQ8  C7   H7    SING  N  N  104  
UQ8  C7   H7A   SING  N  N  105  
UQ8  C1   C6    DOUB  N  N  106  
UQ8  C5   C6    SING  N  N  107  
UQ8  C2   C1    SING  N  N  108  
UQ8  C1   C1M   SING  N  N  109  
UQ8  C1M  H1M   SING  N  N  110  
UQ8  C1M  H1MA  SING  N  N  111  
UQ8  C1M  H1MB  SING  N  N  112  
UQ8  O2   C2    DOUB  N  N  113  
UQ8  C3   C2    SING  N  N  114  
UQ8  O3   C3    SING  N  N  115  
UQ8  C3   C4    DOUB  N  N  116  
UQ8  C3M  O3    SING  N  N  117  
UQ8  C3M  H3M   SING  N  N  118  
UQ8  C3M  H3MA  SING  N  N  119  
UQ8  C3M  H3MB  SING  N  N  120  
UQ8  O4   C4    SING  N  N  121  
UQ8  C4   C5    SING  N  N  122  
UQ8  C4M  O4    SING  N  N  123  
UQ8  C4M  H4M   SING  N  N  124  
UQ8  C4M  H4MA  SING  N  N  125  
UQ8  C4M  H4MB  SING  N  N  126  
UQ8  C5   O5    DOUB  N  N  127  
#   #
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
UQ8  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)C"  
UQ8  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)\CCC=C(C)C"  
UQ8  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)C"  
UQ8  SMILES_CANONICAL  "OpenEye OEToolkits"  1.5.0  "CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=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"  
UQ8  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)C"  
UQ8  InChI             InChI                 1.03   "InChI=1S/C49H74O4/c1-36(2)20-13-21-37(3)22-14-23-38(4)24-15-25-39(5)26-16-27-40(6)28-17-29-41(7)30-18-31-42(8)32-19-33-43(9)34-35-45-44(10)46(50)48(52-11)49(53-12)47(45)51/h20,22,24,26,28,30,32,34H,13-19,21,23,25,27,29,31,33,35H2,1-12H3/b37-22+,38-24+,39-26+,40-28+,41-30+,42-32+,43-34+"  
UQ8  InChIKey          InChI                 1.03   ICFIZJQGJAJRSU-SGHXUWJISA-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
UQ8  "SYSTEMATIC NAME"  ACDLabs               10.04  "2,3-dimethoxy-5-methyl-6-[(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl]cyclohexa-2,5-diene-1,4-dione"  
UQ8  "SYSTEMATIC NAME"  "OpenEye OEToolkits"  1.5.0  "2,3-dimethoxy-5-methyl-6-[(6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl]cyclohexa-2,5-diene-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
UQ8  "Create component"   2008-08-21  PDBJ  
UQ8  "Modify descriptor"  2011-06-04  RCSB  
UQ8  "Modify synonyms"    2020-06-05  PDBE  
#
_pdbx_chem_comp_synonyms.ordinal     1
_pdbx_chem_comp_synonyms.comp_id     UQ8
_pdbx_chem_comp_synonyms.name        "2,3-dimethoxy-5-methyl-6-[(6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl]cyclohexa-2,5-diene-1,4-dione"
_pdbx_chem_comp_synonyms.provenance  ?
_pdbx_chem_comp_synonyms.type        ?
##
