data_UQ9
#

_chem_comp.id                                   UQ9
_chem_comp.name                                 Ubiquinone-9
_chem_comp.type                                 NON-POLYMER
_chem_comp.pdbx_type                            HETAIN
_chem_comp.formula                              "C54 H82 O4"
_chem_comp.mon_nstd_parent_comp_id              ?
_chem_comp.pdbx_synonyms                        
;2,3-dimethoxy-5-methyl-6-[(2E,6E,10E,14Z,18E,22E,26E,30Z)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18
,22,26,30,34-nonaen-1-yl]cyclohexa-2,5-diene-1,4-dione
;

_chem_comp.pdbx_formal_charge                   0
_chem_comp.pdbx_initial_date                    2009-06-25
_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                       795.226
_chem_comp.one_letter_code                      ?
_chem_comp.three_letter_code                    UQ9
_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       3HZ9
_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
UQ9  C51   C51   C  0  1  N  N  N  -55.700   -88.367  18.678   13.298    4.490   2.389  C51   UQ9    1  
UQ9  C49   C49   C  0  1  N  N  N  -55.206   -88.418  20.124   13.043    3.311   1.487  C49   UQ9    2  
UQ9  C50   C50   C  0  1  N  N  N  -53.733   -88.776  20.379   14.005    2.151   1.472  C50   UQ9    3  
UQ9  C48   C48   C  0  1  N  N  N  -56.089   -88.149  21.176   11.984    3.294   0.715  C48   UQ9    4  
UQ9  C47   C47   C  0  1  N  N  N  -55.811   -88.136  22.540   11.022    4.453   0.730  C47   UQ9    5  
UQ9  C46   C46   C  0  1  N  N  N  -56.400   -89.342  23.278   10.848    4.990  -0.692  C46   UQ9    6  
UQ9  C44   C44   C  0  1  N  N  N  -56.169   -89.210  24.790    9.885    6.150  -0.677  C44   UQ9    7  
UQ9  C45   C45   C  0  1  N  N  N  -57.239   -88.520  25.614   10.382    7.537  -0.358  C45   UQ9    8  
UQ9  C43   C43   C  0  1  N  N  N  -55.029   -89.662  25.458    8.618    5.952  -0.941  C43   UQ9    9  
UQ9  C42   C42   C  0  1  N  N  N  -53.908   -90.333  24.975    8.092    4.550  -1.107  C42   UQ9   10  
UQ9  C41   C41   C  0  1  N  N  N  -52.990   -90.797  26.124    6.905    4.335  -0.166  C41   UQ9   11  
UQ9  C39   C39   C  0  1  N  N  N  -52.852   -92.330  26.268    6.379    2.932  -0.333  C39   UQ9   12  
UQ9  C40   C40   C  0  1  N  N  N  -51.425   -92.919  26.209    5.385    2.625  -1.423  C40   UQ9   13  
UQ9  C38   C38   C  0  1  N  N  N  -53.984   -93.150  26.468    6.787    1.980   0.470  C38   UQ9   14  
UQ9  C37   C37   C  0  1  N  N  N  -54.101   -94.554  26.614    6.169    0.609   0.386  C37   UQ9   15  
UQ9  C36   C36   C  0  1  N  N  N  -53.622   -95.117  27.981    7.266   -0.432   0.156  C36   UQ9   16  
UQ9  C34   C34   C  0  1  N  N  N  -52.956   -96.504  27.878    6.648   -1.804   0.073  C34   UQ9   17  
UQ9  C35   C35   C  0  1  N  N  N  -51.476   -96.698  28.245    6.373   -2.584   1.332  C35   UQ9   18  
UQ9  C33   C33   C  0  1  N  N  N  -53.723   -97.585  27.454    6.350   -2.318  -1.095  C33   UQ9   19  
UQ9  C32   C32   C  0  1  N  N  N  -53.277   -98.895  27.281    5.628   -3.639  -1.174  C32   UQ9   20  
UQ9  C31   C31   C  0  1  N  N  N  -54.261   -99.940  27.819    4.349   -3.472  -1.997  C31   UQ9   21  
UQ9  C29   C29   C  0  1  N  N  N  -55.162  -100.678  26.796    3.627   -4.792  -2.076  C29   UQ9   22  
UQ9  C30   C30   C  0  1  N  N  N  -54.583  -101.484  25.618    4.005   -5.795  -3.136  C30   UQ9   23  
UQ9  C28   C28   C  0  1  N  N  N  -56.537  -100.597  27.036    2.671   -5.068  -1.225  C28   UQ9   24  
UQ9  C27   C27   C  0  1  N  N  N  -57.650  -101.128  26.383    2.026   -6.430  -1.231  C27   UQ9   25  
UQ9  C26   C26   C  0  1  N  N  N  -58.689  -101.593  27.424    2.178   -7.073   0.149  C26   UQ9   26  
UQ9  C24   C24   C  0  1  N  N  N  -59.423  -102.869  26.984    1.533   -8.435   0.142  C24   UQ9   27  
UQ9  C25   C25   C  0  1  N  N  N  -58.945  -104.295  27.358    2.326   -9.642  -0.288  C25   UQ9   28  
UQ9  C23   C23   C  0  1  N  N  N  -60.558  -102.703  26.208    0.284   -8.569   0.511  C23   UQ9   29  
UQ9  C22   C22   C  0  1  N  N  N  -61.096  -101.489  25.788   -0.550   -7.350   0.806  C22   UQ9   30  
UQ9  C21   C21   C  0  1  N  N  N  -62.251  -101.722  24.792   -1.844   -7.407  -0.009  C21   UQ9   31  
UQ9  C19   C19   C  0  1  N  N  N  -62.947  -100.422  24.347   -2.678   -6.187   0.286  C19   UQ9   32  
UQ9  C20   C20   C  0  1  N  N  N  -63.901  -100.529  23.147   -3.600   -6.175   1.477  C20   UQ9   33  
UQ9  C18   C18   C  0  1  N  N  N  -62.705   -99.214  25.029   -2.601   -5.137  -0.494  C18   UQ9   34  
UQ9  C17   C17   C  0  1  N  N  N  -63.211   -97.909  24.835   -3.526   -3.967  -0.275  C17   UQ9   35  
UQ9  C16   C16   C  0  1  N  N  N  -63.657   -97.233  26.165   -2.700   -2.693  -0.085  C16   UQ9   36  
UQ9  C14   C14   C  0  1  N  N  N  -63.994   -95.706  26.159   -3.625   -1.523   0.134  C14   UQ9   37  
UQ9  C15   C15   C  0  1  N  N  N  -63.738   -94.849  27.408   -4.210   -0.794  -1.048  C15   UQ9   38  
UQ9  C13   C13   C  0  1  N  N  N  -64.565   -95.059  25.059   -3.919   -1.140   1.351  C13   UQ9   39  
UQ9  C12   C12   C  0  1  N  N  N  -64.902   -93.696  25.021   -4.941   -0.054   1.573  C12   UQ9   40  
UQ9  C11   C11   C  0  1  N  N  N  -65.842   -93.300  23.863   -6.062   -0.586   2.468  C11   UQ9   41  
UQ9  C9    C9    C  0  1  N  N  N  -66.151   -91.812  24.039   -7.084    0.500   2.690  C9    UQ9   42  
UQ9  C10   C10   C  0  1  N  N  N  -65.338   -90.814  23.229   -6.883    1.511   3.789  C10   UQ9   43  
UQ9  C8    C8    C  0  1  N  N  N  -67.137   -91.418  24.957   -8.148    0.564   1.927  C8    UQ9   44  
UQ9  C7    C7    C  0  1  N  N  N  -67.560   -90.140  25.318   -9.213    1.592   2.206  C7    UQ9   45  
UQ9  C6    C6    C  0  1  N  N  N  -69.042   -89.953  25.632   -9.464    2.406   0.962  C6    UQ9   46  
UQ9  C1    C1    C  0  1  N  N  N  -69.671   -90.107  26.879  -10.457    2.067   0.131  C1    UQ9   47  
UQ9  C1M   C1M   C  0  1  N  N  N  -68.853   -90.525  28.086  -11.323    0.873   0.442  C1M   UQ9   48  
UQ9  C2    C2    C  0  1  N  N  N  -71.058   -89.865  27.017  -10.707    2.862  -1.090  C2    UQ9   49  
UQ9  O2    O2    O  0  1  N  N  N  -71.659   -89.998  28.096  -11.610    2.553  -1.842  O2    UQ9   50  
UQ9  C3    C3    C  0  1  N  N  N  -71.818   -89.458  25.914   -9.860    4.031  -1.396  C3    UQ9   51  
UQ9  O3    O3    O  0  1  N  N  N  -73.180   -89.249  26.002  -10.088    4.762  -2.517  O3    UQ9   52  
UQ9  C3M   C3M   C  0  1  N  N  N  -73.788   -88.722  27.174  -11.312    5.498  -2.573  C3M   UQ9   53  
UQ9  C4    C4    C  0  1  N  N  N  -71.181   -89.294  24.683   -8.855    4.373  -0.557  C4    UQ9   54  
UQ9  O4    O4    O  0  1  N  N  N  -71.858   -88.886  23.570   -8.074    5.448  -0.833  O4    UQ9   55  
UQ9  C4M   C4M   C  0  1  N  N  N  -72.821   -87.841  23.772   -6.704    5.191  -1.146  C4M   UQ9   56  
UQ9  C5    C5    C  0  1  N  N  N  -69.822   -89.537  24.574   -8.615    3.580   0.664  C5    UQ9   57  
UQ9  O5    O5    O  0  1  N  N  N  -69.250   -89.400  23.499   -7.717    3.888   1.422  O5    UQ9   58  
UQ9  H51   H51   H  0  1  N  N  N  -56.800   -88.355  18.666   14.218    4.326   2.951  H51   UQ9   59  
UQ9  H51A  H51A  H  0  0  N  N  N  -55.318   -87.457  18.192   13.396    5.394   1.788  H51A  UQ9   60  
UQ9  H51B  H51B  H  0  0  N  N  N  -55.337   -89.253  18.136   12.465    4.604   3.083  H51B  UQ9   61  
UQ9  H50   H50   H  0  1  N  N  N  -53.204   -88.862  19.418   13.699    1.416   2.216  H50   UQ9   62  
UQ9  H50A  H50A  H  0  0  N  N  N  -53.264   -87.988  20.986   14.003    1.691   0.484  H50A  UQ9   63  
UQ9  H50B  H50B  H  0  0  N  N  N  -53.677   -89.735  20.915   15.008    2.508   1.705  H50B  UQ9   64  
UQ9  H48   H48   H  0  1  N  N  N  -57.108   -87.925  20.896   11.801    2.448   0.068  H48   UQ9   65  
UQ9  H47   H47   H  0  1  N  N  N  -54.719   -88.149  22.671   10.057    4.120   1.114  H47   UQ9   66  
UQ9  H47A  H47A  H  0  0  N  N  N  -56.269   -87.230  22.964   11.415    5.243   1.371  H47A  UQ9   67  
UQ9  H46   H46   H  0  1  N  N  N  -57.481   -89.393  23.081   11.812    5.323  -1.075  H46   UQ9   68  
UQ9  H46A  H46A  H  0  0  N  N  N  -55.905   -90.257  22.920   10.455    4.201  -1.333  H46A  UQ9   69  
UQ9  H45   H45   H  0  1  N  N  N  -56.865   -88.353  26.635   10.684    8.035  -1.280  H45   UQ9   70  
UQ9  H45A  H45A  H  0  0  N  N  N  -57.490   -87.553  25.153    9.585    8.107   0.119  H45A  UQ9   71  
UQ9  H45B  H45B  H  0  0  N  N  N  -58.138   -89.153  25.652   11.236    7.471   0.316  H45B  UQ9   72  
UQ9  H43   H43   H  0  1  N  N  N  -55.014   -89.459  26.519    7.949    6.795  -1.039  H43   UQ9   73  
UQ9  H42   H42   H  0  1  N  N  N  -54.240   -91.215  24.408    7.770    4.403  -2.138  H42   UQ9   74  
UQ9  H42A  H42A  H  0  0  N  N  N  -53.340   -89.642  24.335    8.880    3.836  -0.868  H42A  UQ9   75  
UQ9  H41   H41   H  0  1  N  N  N  -51.987   -90.387  25.937    7.227    4.482   0.864  H41   UQ9   76  
UQ9  H41A  H41A  H  0  0  N  N  N  -53.450   -90.437  27.056    6.117    5.049  -0.406  H41A  UQ9   77  
UQ9  H40   H40   H  0  1  N  N  N  -51.129   -93.059  25.159    5.230    3.513  -2.035  H40   UQ9   78  
UQ9  H40A  H40A  H  0  0  N  N  N  -50.723   -92.228  26.699    5.768    1.817  -2.047  H40A  UQ9   79  
UQ9  H40B  H40B  H  0  0  N  N  N  -51.407   -93.889  26.727    4.439    2.321  -0.976  H40B  UQ9   80  
UQ9  H38   H38   H  0  1  N  N  N  -54.921   -92.615  26.518    7.565    2.179   1.191  H38   UQ9   81  
UQ9  H37   H37   H  0  1  N  N  N  -55.164   -94.813  26.501    5.648    0.387   1.318  H37   UQ9   82  
UQ9  H37A  H37A  H  0  0  N  N  N  -53.448   -95.000  25.850    5.461    0.579  -0.442  H37A  UQ9   83  
UQ9  H36   H36   H  0  1  N  N  N  -52.887   -94.415  28.402    7.787   -0.211  -0.775  H36   UQ9   84  
UQ9  H36A  H36A  H  0  0  N  N  N  -54.513   -95.231  28.616    7.975   -0.403   0.984  H36A  UQ9   85  
UQ9  H35   H35   H  0  1  N  N  N  -50.873   -96.744  27.326    6.632   -1.977   2.200  H35   UQ9   86  
UQ9  H35A  H35A  H  0  0  N  N  N  -51.138   -95.853  28.863    5.315   -2.845   1.374  H35A  UQ9   87  
UQ9  H35B  H35B  H  0  0  N  N  N  -51.358   -97.635  28.808    6.972   -3.495   1.334  H35B  UQ9   88  
UQ9  H33   H33   H  0  1  N  N  N  -54.763   -97.391  27.238    6.622   -1.796  -2.000  H33   UQ9   89  
UQ9  H32   H32   H  0  1  N  N  N  -53.138   -99.073  26.204    6.273   -4.377  -1.651  H32   UQ9   90  
UQ9  H32A  H32A  H  0  0  N  N  N  -52.339   -99.002  27.846    5.373   -3.974  -0.169  H32A  UQ9   91  
UQ9  H31   H31   H  0  1  N  N  N  -53.661  -100.709  28.327    3.704   -2.733  -1.520  H31   UQ9   92  
UQ9  H31A  H31A  H  0  0  N  N  N  -54.959   -99.371  28.451    4.605   -3.136  -3.002  H31A  UQ9   93  
UQ9  H30   H30   H  0  1  N  N  N  -54.445  -100.820  24.752    4.854   -5.418  -3.706  H30   UQ9   94  
UQ9  H30A  H30A  H  0  0  N  N  N  -53.613  -101.913  25.909    4.275   -6.739  -2.662  H30A  UQ9   95  
UQ9  H30B  H30B  H  0  0  N  N  N  -55.278  -102.294  25.352    3.159   -5.953  -3.805  H30B  UQ9   96  
UQ9  H28   H28   H  0  1  N  N  N  -56.789  -100.003  27.902    2.344   -4.319  -0.518  H28   UQ9   97  
UQ9  H27   H27   H  0  1  N  N  N  -58.098  -100.357  25.738    0.967   -6.329  -1.470  H27   UQ9   98  
UQ9  H27A  H27A  H  0  0  N  N  N  -57.338  -101.986  25.770    2.509   -7.057  -1.980  H27A  UQ9   99  
UQ9  H26   H26   H  0  1  N  N  N  -58.168  -101.798  28.371    3.237   -7.173   0.388  H26   UQ9  100  
UQ9  H26A  H26A  H  0  0  N  N  N  -59.437  -100.794  27.536    1.695   -6.445   0.897  H26A  UQ9  101  
UQ9  H25   H25   H  0  1  N  N  N  -58.832  -104.896  26.444    2.820  -10.081   0.579  H25   UQ9  102  
UQ9  H25A  H25A  H  0  0  N  N  N  -57.978  -104.233  27.878    1.656  -10.376  -0.735  H25A  UQ9  103  
UQ9  H25B  H25B  H  0  0  N  N  N  -59.687  -104.769  28.018    3.076   -9.342  -1.020  H25B  UQ9  104  
UQ9  H23   H23   H  0  1  N  N  N  -61.075  -103.600  25.899   -0.149   -9.555   0.604  H23   UQ9  105  
UQ9  H22   H22   H  0  1  N  N  N  -61.480  -100.944  26.663   -0.792   -7.323   1.869  H22   UQ9  106  
UQ9  H22A  H22A  H  0  0  N  N  N  -60.309  -100.906  25.288    0.009   -6.453   0.538  H22A  UQ9  107  
UQ9  H21   H21   H  0  1  N  N  N  -61.840  -102.214  23.898   -1.602   -7.433  -1.072  H21   UQ9  108  
UQ9  H21A  H21A  H  0  0  N  N  N  -63.005  -102.338  25.304   -2.403   -8.303   0.259  H21A  UQ9  109  
UQ9  H20   H20   H  0  1  N  N  N  -64.941  -100.555  23.506   -3.469   -7.094   2.048  H20   UQ9  110  
UQ9  H20A  H20A  H  0  0  N  N  N  -63.762   -99.659  22.489   -3.366   -5.319   2.110  H20A  UQ9  111  
UQ9  H20B  H20B  H  0  0  N  N  N  -63.684  -101.451  22.587   -4.633   -6.103   1.137  H20B  UQ9  112  
UQ9  H18   H18   H  0  1  N  N  N  -62.007   -99.301  25.848   -1.876   -5.109  -1.293  H18   UQ9  113  
UQ9  H17   H17   H  0  1  N  N  N  -62.420   -97.294  24.381   -4.177   -3.852  -1.141  H17   UQ9  114  
UQ9  H17A  H17A  H  0  0  N  N  N  -64.096   -97.987  24.187   -4.131   -4.143   0.614  H17A  UQ9  115  
UQ9  H16   H16   H  0  1  N  N  N  -64.571   -97.753  26.487   -2.048   -2.808   0.781  H16   UQ9  116  
UQ9  H16A  H16A  H  0  0  N  N  N  -62.776   -97.314  26.819   -2.095   -2.516  -0.974  H16A  UQ9  117  
UQ9  H15   H15   H  0  1  N  N  N  -63.677   -95.499  28.293   -3.787   -1.195  -1.969  H15   UQ9  118  
UQ9  H15A  H15A  H  0  0  N  N  N  -62.791   -94.302  27.289   -5.292   -0.928  -1.058  H15A  UQ9  119  
UQ9  H15B  H15B  H  0  0  N  N  N  -64.563   -94.132  27.536   -3.976    0.268  -0.973  H15B  UQ9  120  
UQ9  H13   H13   H  0  1  N  N  N  -64.761   -95.649  24.176   -3.429   -1.601   2.196  H13   UQ9  121  
UQ9  H12   H12   H  0  1  N  N  N  -65.409   -93.448  25.965   -4.465    0.800   2.055  H12   UQ9  122  
UQ9  H12A  H12A  H  0  0  N  N  N  -63.963   -93.143  24.868   -5.356    0.255   0.614  H12A  UQ9  123  
UQ9  H11   H11   H  0  1  N  N  N  -65.354   -93.479  22.894   -6.538   -1.439   1.985  H11   UQ9  124  
UQ9  H11A  H11A  H  0  0  N  N  N  -66.764   -93.900  23.880   -5.647   -0.895   3.427  H11A  UQ9  125  
UQ9  H10   H10   H  0  1  N  N  N  -65.142   -89.920  23.839   -5.914    1.346   4.261  H10   UQ9  126  
UQ9  H10A  H10A  H  0  0  N  N  N  -64.383   -91.273  22.934   -6.916    2.516   3.368  H10A  UQ9  127  
UQ9  H10B  H10B  H  0  0  N  N  N  -65.901   -90.527  22.329   -7.673    1.402   4.532  H10B  UQ9  128  
UQ9  H8    H8    H  0  1  N  N  N  -67.645   -92.228  25.460   -8.260   -0.120   1.099  H8    UQ9  129  
UQ9  H7    H7    H  0  1  N  N  N  -67.003   -89.863  26.225  -10.134    1.090   2.503  H7    UQ9  130  
UQ9  H7A   H7A   H  0  1  N  N  N  -67.375   -89.516  24.431   -8.882    2.250   3.009  H7A   UQ9  131  
UQ9  H1M   H1M   H  0  1  N  N  N  -67.797   -90.626  27.796  -12.177    1.190   1.041  H1M   UQ9  132  
UQ9  H1MA  H1MA  H  0  0  N  N  N  -68.946   -89.763  28.873  -11.677    0.429  -0.489  H1MA  UQ9  133  
UQ9  H1MB  H1MB  H  0  0  N  N  N  -69.223   -91.490  28.463  -10.742    0.137   0.997  H1MB  UQ9  134  
UQ9  H3M   H3M   H  0  1  N  N  N  -73.025   -88.586  27.954  -11.312    6.264  -1.798  H3M   UQ9  135  
UQ9  H3MA  H3MA  H  0  0  N  N  N  -74.252   -87.752  26.942  -11.407    5.971  -3.551  H3MA  UQ9  136  
UQ9  H3MB  H3MB  H  0  0  N  N  N  -74.558   -89.421  27.533  -12.151    4.821  -2.414  H3MB  UQ9  137  
UQ9  H4M   H4M   H  0  1  N  N  N  -73.067   -87.770  24.842   -6.202    4.779  -0.271  H4M   UQ9  138  
UQ9  H4MA  H4MA  H  0  0  N  N  N  -72.401   -86.884  23.429   -6.647    4.477  -1.968  H4MA  UQ9  139  
UQ9  H4MB  H4MB  H  0  0  N  N  N  -73.733   -88.068  23.200   -6.217    6.121  -1.440  H4MB  UQ9  140  
#   #
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
UQ9  C51  C49   SING  N  N    1  
UQ9  C51  H51   SING  N  N    2  
UQ9  C51  H51A  SING  N  N    3  
UQ9  C51  H51B  SING  N  N    4  
UQ9  C49  C50   SING  N  N    5  
UQ9  C49  C48   DOUB  N  N    6  
UQ9  C50  H50   SING  N  N    7  
UQ9  C50  H50A  SING  N  N    8  
UQ9  C50  H50B  SING  N  N    9  
UQ9  C48  C47   SING  N  N   10  
UQ9  C48  H48   SING  N  N   11  
UQ9  C47  C46   SING  N  N   12  
UQ9  C47  H47   SING  N  N   13  
UQ9  C47  H47A  SING  N  N   14  
UQ9  C46  C44   SING  N  N   15  
UQ9  C46  H46   SING  N  N   16  
UQ9  C46  H46A  SING  N  N   17  
UQ9  C44  C43   DOUB  N  Z   18  
UQ9  C44  C45   SING  N  N   19  
UQ9  C45  H45   SING  N  N   20  
UQ9  C45  H45A  SING  N  N   21  
UQ9  C45  H45B  SING  N  N   22  
UQ9  C42  C43   SING  N  N   23  
UQ9  C43  H43   SING  N  N   24  
UQ9  C42  C41   SING  N  N   25  
UQ9  C42  H42   SING  N  N   26  
UQ9  C42  H42A  SING  N  N   27  
UQ9  C41  C39   SING  N  N   28  
UQ9  C41  H41   SING  N  N   29  
UQ9  C41  H41A  SING  N  N   30  
UQ9  C40  C39   SING  N  E   31  
UQ9  C39  C38   DOUB  N  N   32  
UQ9  C40  H40   SING  N  N   33  
UQ9  C40  H40A  SING  N  N   34  
UQ9  C40  H40B  SING  N  N   35  
UQ9  C38  C37   SING  N  N   36  
UQ9  C38  H38   SING  N  N   37  
UQ9  C37  C36   SING  N  N   38  
UQ9  C37  H37   SING  N  N   39  
UQ9  C37  H37A  SING  N  N   40  
UQ9  C34  C36   SING  N  N   41  
UQ9  C36  H36   SING  N  N   42  
UQ9  C36  H36A  SING  N  N   43  
UQ9  C33  C34   DOUB  N  N   44  
UQ9  C34  C35   SING  N  N   45  
UQ9  C35  H35   SING  N  N   46  
UQ9  C35  H35A  SING  N  N   47  
UQ9  C35  H35B  SING  N  E   48  
UQ9  C32  C33   SING  N  N   49  
UQ9  C33  H33   SING  N  N   50  
UQ9  C32  C31   SING  N  N   51  
UQ9  C32  H32   SING  N  N   52  
UQ9  C32  H32A  SING  N  N   53  
UQ9  C29  C31   SING  N  N   54  
UQ9  C31  H31   SING  N  N   55  
UQ9  C31  H31A  SING  N  N   56  
UQ9  C30  C29   SING  N  E   57  
UQ9  C29  C28   DOUB  N  N   58  
UQ9  C30  H30   SING  N  N   59  
UQ9  C30  H30A  SING  N  N   60  
UQ9  C30  H30B  SING  N  N   61  
UQ9  C27  C28   SING  N  N   62  
UQ9  C28  H28   SING  N  N   63  
UQ9  C27  C26   SING  N  N   64  
UQ9  C27  H27   SING  N  N   65  
UQ9  C27  H27A  SING  N  N   66  
UQ9  C24  C26   SING  N  N   67  
UQ9  C26  H26   SING  N  N   68  
UQ9  C26  H26A  SING  N  N   69  
UQ9  C23  C24   DOUB  N  N   70  
UQ9  C24  C25   SING  N  N   71  
UQ9  C25  H25   SING  N  N   72  
UQ9  C25  H25A  SING  N  N   73  
UQ9  C25  H25B  SING  N  Z   74  
UQ9  C22  C23   SING  N  N   75  
UQ9  C23  H23   SING  N  N   76  
UQ9  C21  C22   SING  N  N   77  
UQ9  C22  H22   SING  N  N   78  
UQ9  C22  H22A  SING  N  N   79  
UQ9  C19  C21   SING  N  N   80  
UQ9  C21  H21   SING  N  N   81  
UQ9  C21  H21A  SING  N  N   82  
UQ9  C20  C19   SING  N  E   83  
UQ9  C19  C18   DOUB  N  N   84  
UQ9  C20  H20   SING  N  N   85  
UQ9  C20  H20A  SING  N  N   86  
UQ9  C20  H20B  SING  N  N   87  
UQ9  C17  C18   SING  N  N   88  
UQ9  C18  H18   SING  N  N   89  
UQ9  C17  C16   SING  N  N   90  
UQ9  C17  H17   SING  N  N   91  
UQ9  C17  H17A  SING  N  N   92  
UQ9  C14  C16   SING  N  N   93  
UQ9  C16  H16   SING  N  N   94  
UQ9  C16  H16A  SING  N  N   95  
UQ9  C13  C14   DOUB  N  N   96  
UQ9  C14  C15   SING  N  N   97  
UQ9  C15  H15   SING  N  N   98  
UQ9  C15  H15A  SING  N  N   99  
UQ9  C15  H15B  SING  N  E  100  
UQ9  C12  C13   SING  N  N  101  
UQ9  C13  H13   SING  N  N  102  
UQ9  C11  C12   SING  N  N  103  
UQ9  C12  H12   SING  N  N  104  
UQ9  C12  H12A  SING  N  N  105  
UQ9  C11  C9    SING  N  N  106  
UQ9  C11  H11   SING  N  N  107  
UQ9  C11  H11A  SING  N  N  108  
UQ9  C10  C9    SING  N  E  109  
UQ9  C9   C8    DOUB  N  N  110  
UQ9  C10  H10   SING  N  N  111  
UQ9  C10  H10A  SING  N  N  112  
UQ9  C10  H10B  SING  N  N  113  
UQ9  C8   C7    SING  N  N  114  
UQ9  C8   H8    SING  N  N  115  
UQ9  C7   C6    SING  N  N  116  
UQ9  C7   H7    SING  N  N  117  
UQ9  C7   H7A   SING  N  N  118  
UQ9  C5   C6    SING  N  N  119  
UQ9  C6   C1    DOUB  N  N  120  
UQ9  C1   C2    SING  N  N  121  
UQ9  C1   C1M   SING  N  N  122  
UQ9  C1M  H1M   SING  N  N  123  
UQ9  C1M  H1MA  SING  N  N  124  
UQ9  C1M  H1MB  SING  N  N  125  
UQ9  C3   C2    SING  N  N  126  
UQ9  C2   O2    DOUB  N  N  127  
UQ9  C4   C3    DOUB  N  N  128  
UQ9  C3   O3    SING  N  N  129  
UQ9  O3   C3M   SING  N  N  130  
UQ9  C3M  H3M   SING  N  N  131  
UQ9  C3M  H3MA  SING  N  N  132  
UQ9  C3M  H3MB  SING  N  N  133  
UQ9  O4   C4    SING  N  N  134  
UQ9  C5   C4    SING  N  N  135  
UQ9  O4   C4M   SING  N  N  136  
UQ9  C4M  H4M   SING  N  N  137  
UQ9  C4M  H4MA  SING  N  N  138  
UQ9  C4M  H4MB  SING  N  N  139  
UQ9  O5   C5    DOUB  N  N  140  
#   #
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
UQ9  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)C"  
UQ9  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)/CCC=C(C)C"  
UQ9  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)C"  
UQ9  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)/CCC=C(C)C"  
UQ9  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)C"  
UQ9  InChI             InChI                 1.03   "InChI=1S/C54H82O4/c1-40(2)22-14-23-41(3)24-15-25-42(4)26-16-27-43(5)28-17-29-44(6)30-18-31-45(7)32-19-33-46(8)34-20-35-47(9)36-21-37-48(10)38-39-50-49(11)51(55)53(57-12)54(58-13)52(50)56/h22,24,26,28,30,32,34,36,38H,14-21,23,25,27,29,31,33,35,37,39H2,1-13H3/b41-24-,42-26+,43-28+,44-30+,45-32-,46-34+,47-36+,48-38+"  
UQ9  InChIKey          InChI                 1.03   UUGXJSBPSRROMU-YJKFELPISA-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
UQ9  "SYSTEMATIC NAME"  ACDLabs               10.04  "2,3-dimethoxy-5-methyl-6-[(2E,6E,10E,14Z,18E,22E,26E,30Z)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-yl]cyclohexa-2,5-diene-1,4-dione"  
UQ9  "SYSTEMATIC NAME"  "OpenEye OEToolkits"  1.5.0  "2,3-dimethoxy-5-methyl-6-[(2E,6E,10E,14Z,18E,22E,26E,30Z)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenyl]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
UQ9  "Create component"   2009-06-25  RCSB  
UQ9  "Modify descriptor"  2011-06-04  RCSB  
UQ9  "Modify synonyms"    2020-06-05  PDBE  
#
_pdbx_chem_comp_synonyms.ordinal     1
_pdbx_chem_comp_synonyms.comp_id     UQ9
_pdbx_chem_comp_synonyms.name        "2,3-dimethoxy-5-methyl-6-[(2E,6E,10E,14Z,18E,22E,26E,30Z)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-yl]cyclohexa-2,5-diene-1,4-dione"
_pdbx_chem_comp_synonyms.provenance  ?
_pdbx_chem_comp_synonyms.type        ?
##
