data_OQ5
#

_chem_comp.id                                   OQ5
_chem_comp.name                                 "20-[[(2~{S})-5-[2-[2-[2-[2-[2-[2-(diethylamino)-2-oxidanylidene-ethoxy]ethoxy]ethylamino]-2-oxidanylidene-ethoxy]ethoxy]ethylamino]-1-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]amino]-20-oxidanylidene-icosanoic acid"
_chem_comp.type                                 non-polymer
_chem_comp.pdbx_type                            HETAIN
_chem_comp.formula                              "C41 H76 N4 O12"
_chem_comp.mon_nstd_parent_comp_id              ?
_chem_comp.pdbx_synonyms                        ?
_chem_comp.pdbx_formal_charge                   0
_chem_comp.pdbx_initial_date                    2020-03-27
_chem_comp.pdbx_modified_date                   2021-01-08
_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                       817.062
_chem_comp.one_letter_code                      ?
_chem_comp.three_letter_code                    OQ5
_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       6YG9
_chem_comp.pdbx_subcomponent_list               ?
_chem_comp.pdbx_processing_site                 PDBE
#   #
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
OQ5  C1   C1   C  0  1  N  N  N  61.886  -2.509  25.530   -2.951  -5.073  -1.251  C1   OQ5    1  
OQ5  C2   C2   C  0  1  N  N  N  60.657  -2.774  24.690   -1.959  -3.938  -1.262  C2   OQ5    2  
OQ5  C3   C3   C  0  1  N  N  N  60.158  -1.550  23.916   -0.561  -4.479  -0.956  C3   OQ5    3  
OQ5  C7   C4   C  0  1  N  N  N  54.971   0.318  22.390    5.255  -2.106  -0.376  C7   OQ5    4  
OQ5  C8   C5   C  0  1  N  N  N  53.572   0.526  21.816    6.653  -2.647  -0.070  C8   OQ5    5  
OQ5  C9   C6   C  0  1  N  N  N  53.440   1.707  20.844    7.659  -1.495  -0.081  C9   OQ5    6  
OQ5  C10  C7   C  0  1  N  N  N  52.182   2.541  21.004    9.057  -2.037   0.225  C10  OQ5    7  
OQ5  C11  C8   C  0  1  N  N  N  50.939   2.012  20.276   10.064  -0.885   0.214  C11  OQ5    8  
OQ5  C12  C9   C  0  1  N  N  N  50.742   2.616  18.906   11.462  -1.426   0.520  C12  OQ5    9  
OQ5  C13  C10  C  0  1  N  N  N  49.545   3.529  18.801   12.469  -0.274   0.509  C13  OQ5   10  
OQ5  C14  C11  C  0  1  N  N  N  49.532   4.358  17.537   13.867  -0.815   0.815  C14  OQ5   11  
OQ5  C15  C12  C  0  1  N  N  N  48.241   5.126  17.383   14.873   0.337   0.804  C15  OQ5   12  
OQ5  C16  C13  C  0  1  N  N  N  48.257   6.206  16.321   16.271  -0.205   1.110  C16  OQ5   13  
OQ5  C19  C14  C  0  1  N  N  N  58.723  -1.699  23.398    0.445  -3.327  -0.967  C19  OQ5   14  
OQ5  C21  C15  C  0  1  N  N  S  64.352  -2.802  25.353   -5.220  -5.933  -1.475  C21  OQ5   15  
OQ5  C22  C16  C  0  1  N  N  N  64.833  -2.746  26.809   -6.612  -5.387  -1.151  C22  OQ5   16  
OQ5  C24  C17  C  0  1  N  N  N  67.110  -2.140  27.783   -7.991  -4.283   0.589  C24  OQ5   17  
OQ5  C30  C18  C  0  1  N  N  N  67.972  -2.920  29.957   -9.568  -3.210   2.105  C30  OQ5   18  
OQ5  C31  C19  C  0  1  N  N  N  69.084  -1.996  30.365   -9.576  -2.644   3.526  C31  OQ5   19  
OQ5  C33  C20  C  0  1  N  N  N  69.581  -0.215  31.824   -8.637  -0.908   4.887  C33  OQ5   20  
OQ5  C34  C21  C  0  1  N  N  N  69.102   1.159  32.149   -7.677   0.283   4.842  C34  OQ5   21  
OQ5  C4   C22  C  0  1  N  N  N  58.483  -1.110  22.007    1.843  -3.869  -0.661  C4   OQ5   22  
OQ5  C5   C23  C  0  1  N  N  N  57.431  -0.008  21.910    2.850  -2.717  -0.672  C5   OQ5   23  
OQ5  C6   C24  C  0  1  N  N  N  56.012  -0.434  21.554    4.248  -3.258  -0.366  C6   OQ5   24  
OQ5  C17  C25  C  0  1  N  N  N  46.860   6.555  15.796   17.278   0.947   1.099  C17  OQ5   25  
OQ5  O18  O1   O  0  1  N  N  N  61.870  -1.672  26.432   -2.576  -6.203  -1.021  O18  OQ5   26  
OQ5  N20  N1   N  0  1  N  N  N  62.966  -3.252  25.235   -4.255  -4.830  -1.491  N20  OQ5   27  
OQ5  C23  C26  C  0  1  N  N  N  65.887  -1.656  27.043   -6.620  -4.821   0.270  C23  OQ5   28  
OQ5  C25  C27  C  0  1  N  N  N  65.285  -3.636  24.484   -5.243  -6.600  -2.826  C25  OQ5   29  
OQ5  O26  O2   O  0  1  N  N  N  66.278  -4.214  24.889   -6.060  -7.642  -3.046  O26  OQ5   30  
OQ5  O27  O3   O  0  1  N  N  N  64.898  -3.662  23.251   -4.528  -6.196  -3.712  O27  OQ5   31  
OQ5  N28  N2   N  0  1  N  N  N  66.977  -2.279  29.104   -8.235  -3.732   1.795  N28  OQ5   32  
OQ5  O29  O4   O  0  1  N  N  N  68.159  -2.374  27.186   -8.875  -4.347  -0.239  O29  OQ5   33  
OQ5  O32  O5   O  0  1  N  N  N  68.557  -0.954  31.172   -8.703  -1.515   3.595  O32  OQ5   34  
OQ5  O35  O6   O  0  1  N  N  N  70.177   1.934  32.650   -8.208   1.290   3.978  O35  OQ5   35  
OQ5  C36  C28  C  0  1  N  N  N  69.812   2.756  33.744   -7.384   2.452   3.866  C36  OQ5   36  
OQ5  C37  C29  C  0  1  N  N  N  70.574   4.059  33.772   -8.036   3.442   2.936  C37  OQ5   37  
OQ5  O38  O7   O  0  1  N  N  N  69.990   5.097  34.079   -9.102   3.179   2.420  O38  OQ5   38  
OQ5  N39  N3   N  0  1  N  N  N  71.867   4.008  33.449   -7.436   4.621   2.677  N39  OQ5   39  
OQ5  C40  C30  C  0  1  N  N  N  72.721   5.186  33.357   -8.070   5.583   1.773  C40  OQ5   40  
OQ5  C41  C31  C  0  1  N  N  N  73.495   5.223  32.073   -7.188   6.828   1.653  C41  OQ5   41  
OQ5  O42  O8   O  0  1  N  N  N  74.294   4.053  31.987   -5.953   6.477   1.026  O42  OQ5   42  
OQ5  C43  C32  C  0  1  N  N  N  75.153   4.048  30.856   -5.051   7.574   0.864  C43  OQ5   43  
OQ5  C44  C33  C  0  1  N  N  N  74.892   2.828  30.034   -3.770   7.085   0.186  C44  OQ5   44  
OQ5  O45  O9   O  0  1  N  N  N  73.516   2.757  29.679   -4.070   6.645  -1.140  O45  OQ5   45  
OQ5  C46  C34  C  0  1  N  N  N  73.295   2.804  28.281   -2.936   6.166  -1.864  C46  OQ5   46  
OQ5  C47  C35  C  0  1  N  N  N  71.816   2.701  27.939   -3.367   5.730  -3.241  C47  OQ5   47  
OQ5  O48  O10  O  0  1  N  N  N  71.116   3.699  28.004   -4.531   5.821  -3.569  O48  OQ5   48  
OQ5  N49  N4   N  0  1  N  N  N  71.328   1.496  27.548   -2.458   5.239  -4.108  N49  OQ5   49  
OQ5  C50  C36  C  0  1  N  N  N  46.358   5.542  14.777   18.676   0.406   1.405  C50  OQ5   50  
OQ5  C51  C37  C  0  1  N  N  N  45.061   5.869  14.097   19.667   1.541   1.395  C51  OQ5   51  
OQ5  O52  O11  O  0  1  N  N  N  45.018   6.472  13.047   19.294   2.667   1.166  O52  OQ5   52  
OQ5  O53  O12  O  0  1  N  N  N  44.005   5.406  14.693   20.965   1.300   1.639  O53  OQ5   53  
OQ5  C54  C38  C  0  1  N  N  N  69.905   1.322  27.173   -1.053   5.129  -3.711  C54  OQ5   54  
OQ5  C55  C39  C  0  1  N  N  N  72.163   0.273  27.464   -2.877   4.816  -5.446  C55  OQ5   55  
OQ5  C56  C40  C  0  1  N  N  N  68.969   1.234  28.357   -0.808   3.759  -3.075  C56  OQ5   56  
OQ5  C57  C41  C  0  1  N  N  N  72.658  -0.032  26.062   -2.779   6.000  -6.410  C57  OQ5   57  
OQ5  H1   H1   H  0  1  N  N  N  59.850  -3.116  25.355   -1.959  -3.465  -2.244  H1   OQ5   58  
OQ5  H2   H2   H  0  1  N  N  N  60.897  -3.567  23.966   -2.238  -3.204  -0.505  H2   OQ5   59  
OQ5  H3   H3   H  0  1  N  N  N  60.824  -1.387  23.056   -0.562  -4.952   0.026  H3   OQ5   60  
OQ5  H4   H4   H  0  1  N  N  N  60.199  -0.676  24.583   -0.282  -5.213  -1.712  H4   OQ5   61  
OQ5  H5   H5   H  0  1  N  N  N  54.854  -0.236  23.333    4.976  -1.372   0.380  H5   OQ5   62  
OQ5  H6   H6   H  0  1  N  N  N  55.385   1.315  22.600    5.255  -1.633  -1.359  H6   OQ5   63  
OQ5  H7   H7   H  0  1  N  N  N  52.880   0.695  22.655    6.652  -3.120   0.912  H7   OQ5   64  
OQ5  H8   H8   H  0  1  N  N  N  53.283  -0.391  21.281    6.932  -3.381  -0.827  H8   OQ5   65  
OQ5  H9   H9   H  0  1  N  N  N  53.455   1.307  19.819    7.660  -1.022  -1.063  H9   OQ5   66  
OQ5  H10  H10  H  0  1  N  N  N  54.307   2.368  20.992    7.380  -0.762   0.675  H10  OQ5   67  
OQ5  H11  H11  H  0  1  N  N  N  52.394   3.550  20.622    9.057  -2.510   1.207  H11  OQ5   68  
OQ5  H12  H12  H  0  1  N  N  N  51.947   2.597  22.077    9.336  -2.770  -0.532  H12  OQ5   69  
OQ5  H13  H13  H  0  1  N  N  N  50.054   2.240  20.888   10.064  -0.412  -0.768  H13  OQ5   70  
OQ5  H14  H14  H  0  1  N  N  N  51.038   0.922  20.165    9.785  -0.151   0.970  H14  OQ5   71  
OQ5  H15  H15  H  0  1  N  N  N  50.616   1.797  18.182   11.462  -1.899   1.502  H15  OQ5   72  
OQ5  H16  H16  H  0  1  N  N  N  51.642   3.195  18.651   11.741  -2.160  -0.236  H16  OQ5   73  
OQ5  H17  H17  H  0  1  N  N  N  49.549   4.210  19.665   12.469   0.199  -0.473  H17  OQ5   74  
OQ5  H18  H18  H  0  1  N  N  N  48.634   2.913  18.824   12.189   0.460   1.265  H18  OQ5   75  
OQ5  H19  H19  H  0  1  N  N  N  49.654   3.690  16.672   13.866  -1.288   1.797  H19  OQ5   76  
OQ5  H20  H20  H  0  1  N  N  N  50.369   5.071  17.570   14.146  -1.549   0.059  H20  OQ5   77  
OQ5  H21  H21  H  0  1  N  N  N  48.010   5.601  18.348   14.874   0.810  -0.178  H21  OQ5   78  
OQ5  H22  H22  H  0  1  N  N  N  47.447   4.409  17.128   14.594   1.070   1.561  H22  OQ5   79  
OQ5  H23  H23  H  0  1  N  N  N  48.871   5.858  15.477   16.271  -0.678   2.092  H23  OQ5   80  
OQ5  H24  H24  H  0  1  N  N  N  48.706   7.113  16.751   16.550  -0.938   0.354  H24  OQ5   81  
OQ5  H25  H25  H  0  1  N  N  N  58.049  -1.194  24.105    0.446  -2.854  -1.949  H25  OQ5   82  
OQ5  H26  H26  H  0  1  N  N  N  58.481  -2.771  23.363    0.166  -2.594  -0.210  H26  OQ5   83  
OQ5  H27  H27  H  0  1  N  N  N  64.398  -1.773  24.968   -4.929  -6.659  -0.716  H27  OQ5   84  
OQ5  H28  H28  H  0  1  N  N  N  63.968  -2.544  27.458   -6.866  -4.597  -1.858  H28  OQ5   85  
OQ5  H29  H29  H  0  1  N  N  N  65.270  -3.720  27.073   -7.344  -6.191  -1.226  H29  OQ5   86  
OQ5  H30  H30  H  0  1  N  N  N  67.471  -3.286  30.865  -10.300  -4.014   2.030  H30  OQ5   87  
OQ5  H31  H31  H  0  1  N  N  N  68.406  -3.770  29.410   -9.823  -2.420   1.398  H31  OQ5   88  
OQ5  H32  H32  H  0  1  N  N  N  69.837  -2.558  30.937  -10.588  -2.336   3.789  H32  OQ5   89  
OQ5  H33  H33  H  0  1  N  N  N  69.551  -1.565  29.467   -9.236  -3.409   4.224  H33  OQ5   90  
OQ5  H34  H34  H  0  1  N  N  N  69.864  -0.730  32.754   -8.277  -1.638   5.613  H34  OQ5   91  
OQ5  H35  H35  H  0  1  N  N  N  70.457  -0.147  31.162   -9.629  -0.565   5.178  H35  OQ5   92  
OQ5  H36  H36  H  0  1  N  N  N  68.703   1.632  31.239   -7.558   0.691   5.846  H36  OQ5   93  
OQ5  H37  H37  H  0  1  N  N  N  68.309   1.099  32.909   -6.708  -0.045   4.466  H37  OQ5   94  
OQ5  H38  H38  H  0  1  N  N  N  58.170  -1.931  21.345    1.843  -4.341   0.321  H38  OQ5   95  
OQ5  H39  H39  H  0  1  N  N  N  59.437  -0.695  21.650    2.122  -4.602  -1.417  H39  OQ5   96  
OQ5  H40  H40  H  0  1  N  N  N  57.766   0.704  21.141    2.850  -2.244  -1.654  H40  OQ5   97  
OQ5  H41  H41  H  0  1  N  N  N  57.390   0.498  22.886    2.571  -1.983   0.085  H41  OQ5   98  
OQ5  H42  H42  H  0  1  N  N  N  55.833  -0.225  20.489    4.527  -3.991  -1.122  H42  OQ5   99  
OQ5  H43  H43  H  0  1  N  N  N  55.906  -1.513  21.739    4.247  -3.731   0.617  H43  OQ5  100  
OQ5  H44  H44  H  0  1  N  N  N  46.898   7.546  15.321   17.278   1.420   0.117  H44  OQ5  101  
OQ5  H45  H45  H  0  1  N  N  N  46.160   6.581  16.644   16.999   1.681   1.856  H45  OQ5  102  
OQ5  H46  H46  H  0  1  N  N  N  62.810  -4.185  24.910   -4.554  -3.926  -1.675  H46  OQ5  103  
OQ5  H47  H47  H  0  1  N  N  N  66.205  -1.266  26.065   -6.366  -5.611   0.977  H47  OQ5  104  
OQ5  H48  H48  H  0  1  N  N  N  65.425  -0.847  27.628   -5.888  -4.017   0.345  H48  OQ5  105  
OQ5  H49  H49  H  0  1  N  N  N  66.698  -4.667  24.167   -6.040  -8.037  -3.928  H49  OQ5  106  
OQ5  H50  H50  H  0  1  N  N  N  66.147  -1.923  29.534   -7.528  -3.682   2.457  H50  OQ5  107  
OQ5  H51  H51  H  0  1  N  N  N  68.737   2.978  33.674   -7.259   2.905   4.849  H51  OQ5  108  
OQ5  H52  H52  H  0  1  N  N  N  70.014   2.210  34.677   -6.409   2.169   3.470  H52  OQ5  109  
OQ5  H53  H53  H  0  1  N  N  N  72.272   3.114  33.260   -6.583   4.832   3.090  H53  OQ5  110  
OQ5  H54  H54  H  0  1  N  N  N  73.430   5.177  34.198   -8.195   5.130   0.790  H54  OQ5  111  
OQ5  H55  H55  H  0  1  N  N  N  72.092   6.086  33.418   -9.045   5.866   2.170  H55  OQ5  112  
OQ5  H56  H56  H  0  1  N  N  N  74.140   6.114  32.056   -7.700   7.579   1.052  H56  OQ5  113  
OQ5  H57  H57  H  0  1  N  N  N  72.799   5.258  31.222   -6.990   7.230   2.646  H57  OQ5  114  
OQ5  H58  H58  H  0  1  N  N  N  76.200   4.046  31.192   -5.519   8.341   0.247  H58  OQ5  115  
OQ5  H59  H59  H  0  1  N  N  N  74.964   4.946  30.249   -4.808   7.992   1.841  H59  OQ5  116  
OQ5  H60  H60  H  0  1  N  N  N  75.164   1.934  30.615   -3.048   7.901   0.143  H60  OQ5  117  
OQ5  H61  H61  H  0  1  N  N  N  75.501   2.870  29.119   -3.349   6.257   0.757  H61  OQ5  118  
OQ5  H62  H62  H  0  1  N  N  N  73.829   1.967  27.808   -2.197   6.962  -1.950  H62  OQ5  119  
OQ5  H63  H63  H  0  1  N  N  N  73.685   3.755  27.891   -2.498   5.319  -1.336  H63  OQ5  120  
OQ5  H64  H64  H  0  1  N  N  N  46.231   4.580  15.295   18.675  -0.067   2.387  H64  OQ5  121  
OQ5  H65  H65  H  0  1  N  N  N  47.128   5.440  13.998   18.955  -0.328   0.649  H65  OQ5  122  
OQ5  H66  H66  H  0  1  N  N  N  43.233   5.617  14.180   21.563   2.060   1.622  H66  OQ5  123  
OQ5  H67  H67  H  0  1  N  N  N  69.602   2.179  26.554   -0.417   5.241  -4.590  H67  OQ5  124  
OQ5  H68  H68  H  0  1  N  N  N  69.811   0.396  26.587   -0.816   5.912  -2.990  H68  OQ5  125  
OQ5  H69  H69  H  0  1  N  N  N  71.565  -0.581  27.815   -2.229   4.011  -5.792  H69  OQ5  126  
OQ5  H70  H70  H  0  1  N  N  N  73.036   0.403  28.120   -3.908   4.462  -5.409  H70  OQ5  127  
OQ5  H71  H71  H  0  1  N  N  N  67.936   1.106  28.000   -1.443   3.648  -2.196  H71  OQ5  128  
OQ5  H72  H72  H  0  1  N  N  N  69.250   0.374  28.983   -1.044   2.977  -3.796  H72  OQ5  129  
OQ5  H73  H73  H  0  1  N  N  N  69.040   2.158  28.950    0.238   3.678  -2.780  H73  OQ5  130  
OQ5  H74  H74  H  0  1  N  N  N  73.267  -0.948  26.079   -3.427   6.805  -6.064  H74  OQ5  131  
OQ5  H75  H75  H  0  1  N  N  N  71.797  -0.176  25.393   -1.748   6.354  -6.446  H75  OQ5  132  
OQ5  H76  H76  H  0  1  N  N  N  73.269   0.807  25.698   -3.090   5.685  -7.406  H76  OQ5  133  
#   #
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
OQ5  O52  C51  DOUB  N  N    1  
OQ5  C51  O53  SING  N  N    2  
OQ5  C51  C50  SING  N  N    3  
OQ5  C50  C17  SING  N  N    4  
OQ5  C17  C16  SING  N  N    5  
OQ5  C16  C15  SING  N  N    6  
OQ5  C15  C14  SING  N  N    7  
OQ5  C14  C13  SING  N  N    8  
OQ5  C13  C12  SING  N  N    9  
OQ5  C12  C11  SING  N  N   10  
OQ5  C11  C10  SING  N  N   11  
OQ5  C9   C10  SING  N  N   12  
OQ5  C9   C8   SING  N  N   13  
OQ5  C6   C5   SING  N  N   14  
OQ5  C6   C7   SING  N  N   15  
OQ5  C8   C7   SING  N  N   16  
OQ5  C5   C4   SING  N  N   17  
OQ5  C4   C19  SING  N  N   18  
OQ5  O27  C25  DOUB  N  N   19  
OQ5  C19  C3   SING  N  N   20  
OQ5  C3   C2   SING  N  N   21  
OQ5  C25  O26  SING  N  N   22  
OQ5  C25  C21  SING  N  N   23  
OQ5  C2   C1   SING  N  N   24  
OQ5  N20  C21  SING  N  N   25  
OQ5  N20  C1   SING  N  N   26  
OQ5  C21  C22  SING  N  N   27  
OQ5  C1   O18  DOUB  N  N   28  
OQ5  C57  C55  SING  N  N   29  
OQ5  C22  C23  SING  N  N   30  
OQ5  C23  C24  SING  N  N   31  
OQ5  C54  N49  SING  N  N   32  
OQ5  C54  C56  SING  N  N   33  
OQ5  O29  C24  DOUB  N  N   34  
OQ5  C55  N49  SING  N  N   35  
OQ5  N49  C47  SING  N  N   36  
OQ5  C24  N28  SING  N  N   37  
OQ5  C47  O48  DOUB  N  N   38  
OQ5  C47  C46  SING  N  N   39  
OQ5  C46  O45  SING  N  N   40  
OQ5  N28  C30  SING  N  N   41  
OQ5  O45  C44  SING  N  N   42  
OQ5  C30  C31  SING  N  N   43  
OQ5  C44  C43  SING  N  N   44  
OQ5  C31  O32  SING  N  N   45  
OQ5  C43  O42  SING  N  N   46  
OQ5  O32  C33  SING  N  N   47  
OQ5  C33  C34  SING  N  N   48  
OQ5  O42  C41  SING  N  N   49  
OQ5  C41  C40  SING  N  N   50  
OQ5  C34  O35  SING  N  N   51  
OQ5  O35  C36  SING  N  N   52  
OQ5  C40  N39  SING  N  N   53  
OQ5  N39  C37  SING  N  N   54  
OQ5  C36  C37  SING  N  N   55  
OQ5  C37  O38  DOUB  N  N   56  
OQ5  C2   H1   SING  N  N   57  
OQ5  C2   H2   SING  N  N   58  
OQ5  C3   H3   SING  N  N   59  
OQ5  C3   H4   SING  N  N   60  
OQ5  C7   H5   SING  N  N   61  
OQ5  C7   H6   SING  N  N   62  
OQ5  C8   H7   SING  N  N   63  
OQ5  C8   H8   SING  N  N   64  
OQ5  C9   H9   SING  N  N   65  
OQ5  C9   H10  SING  N  N   66  
OQ5  C10  H11  SING  N  N   67  
OQ5  C10  H12  SING  N  N   68  
OQ5  C11  H13  SING  N  N   69  
OQ5  C11  H14  SING  N  N   70  
OQ5  C12  H15  SING  N  N   71  
OQ5  C12  H16  SING  N  N   72  
OQ5  C13  H17  SING  N  N   73  
OQ5  C13  H18  SING  N  N   74  
OQ5  C14  H19  SING  N  N   75  
OQ5  C14  H20  SING  N  N   76  
OQ5  C15  H21  SING  N  N   77  
OQ5  C15  H22  SING  N  N   78  
OQ5  C16  H23  SING  N  N   79  
OQ5  C16  H24  SING  N  N   80  
OQ5  C19  H25  SING  N  N   81  
OQ5  C19  H26  SING  N  N   82  
OQ5  C21  H27  SING  N  N   83  
OQ5  C22  H28  SING  N  N   84  
OQ5  C22  H29  SING  N  N   85  
OQ5  C30  H30  SING  N  N   86  
OQ5  C30  H31  SING  N  N   87  
OQ5  C31  H32  SING  N  N   88  
OQ5  C31  H33  SING  N  N   89  
OQ5  C33  H34  SING  N  N   90  
OQ5  C33  H35  SING  N  N   91  
OQ5  C34  H36  SING  N  N   92  
OQ5  C34  H37  SING  N  N   93  
OQ5  C4   H38  SING  N  N   94  
OQ5  C4   H39  SING  N  N   95  
OQ5  C5   H40  SING  N  N   96  
OQ5  C5   H41  SING  N  N   97  
OQ5  C6   H42  SING  N  N   98  
OQ5  C6   H43  SING  N  N   99  
OQ5  C17  H44  SING  N  N  100  
OQ5  C17  H45  SING  N  N  101  
OQ5  N20  H46  SING  N  N  102  
OQ5  C23  H47  SING  N  N  103  
OQ5  C23  H48  SING  N  N  104  
OQ5  O26  H49  SING  N  N  105  
OQ5  N28  H50  SING  N  N  106  
OQ5  C36  H51  SING  N  N  107  
OQ5  C36  H52  SING  N  N  108  
OQ5  N39  H53  SING  N  N  109  
OQ5  C40  H54  SING  N  N  110  
OQ5  C40  H55  SING  N  N  111  
OQ5  C41  H56  SING  N  N  112  
OQ5  C41  H57  SING  N  N  113  
OQ5  C43  H58  SING  N  N  114  
OQ5  C43  H59  SING  N  N  115  
OQ5  C44  H60  SING  N  N  116  
OQ5  C44  H61  SING  N  N  117  
OQ5  C46  H62  SING  N  N  118  
OQ5  C46  H63  SING  N  N  119  
OQ5  C50  H64  SING  N  N  120  
OQ5  C50  H65  SING  N  N  121  
OQ5  O53  H66  SING  N  N  122  
OQ5  C54  H67  SING  N  N  123  
OQ5  C54  H68  SING  N  N  124  
OQ5  C55  H69  SING  N  N  125  
OQ5  C55  H70  SING  N  N  126  
OQ5  C56  H71  SING  N  N  127  
OQ5  C56  H72  SING  N  N  128  
OQ5  C56  H73  SING  N  N  129  
OQ5  C57  H74  SING  N  N  130  
OQ5  C57  H75  SING  N  N  131  
OQ5  C57  H76  SING  N  N  132  
#   #
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
OQ5  InChI             InChI                 1.03   "InChI=1S/C41H76N4O12/c1-3-45(4-2)39(49)34-57-32-30-55-28-26-43-38(48)33-56-31-29-54-27-25-42-36(46)24-23-35(41(52)53)44-37(47)21-19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20-22-40(50)51/h35H,3-34H2,1-2H3,(H,42,46)(H,43,48)(H,44,47)(H,50,51)(H,52,53)/t35-/m0/s1"  
OQ5  InChIKey          InChI                 1.03   WDVDVVCOWIIDFM-DHUJRADRSA-N  
OQ5  SMILES_CANONICAL  CACTVS                3.385  "CCN(CC)C(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCCCC(O)=O)C(O)=O"  
OQ5  SMILES            CACTVS                3.385  "CCN(CC)C(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[CH](NC(=O)CCCCCCCCCCCCCCCCCCC(O)=O)C(O)=O"  
OQ5  SMILES_CANONICAL  "OpenEye OEToolkits"  2.0.7  "CCN(CC)C(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@@H](C(=O)O)NC(=O)CCCCCCCCCCCCCCCCCCC(=O)O"  
OQ5  SMILES            "OpenEye OEToolkits"  2.0.7  "CCN(CC)C(=O)COCCOCCNC(=O)COCCOCCNC(=O)CCC(C(=O)O)NC(=O)CCCCCCCCCCCCCCCCCCC(=O)O"  
#
_pdbx_chem_comp_identifier.comp_id          OQ5
_pdbx_chem_comp_identifier.type             "SYSTEMATIC NAME"
_pdbx_chem_comp_identifier.program          "OpenEye OEToolkits"
_pdbx_chem_comp_identifier.program_version  2.0.7
_pdbx_chem_comp_identifier.identifier       "20-[[(2~{S})-5-[2-[2-[2-[2-[2-[2-(diethylamino)-2-oxidanylidene-ethoxy]ethoxy]ethylamino]-2-oxidanylidene-ethoxy]ethoxy]ethylamino]-1-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]amino]-20-oxidanylidene-icosanoic acid"
#   #
loop_
_pdbx_chem_comp_audit.comp_id
_pdbx_chem_comp_audit.action_type
_pdbx_chem_comp_audit.date
_pdbx_chem_comp_audit.processing_site
OQ5  "Create component"  2020-03-27  PDBE  
OQ5  "Initial release"   2021-01-13  RCSB  
##
