data_TFJ
#

_chem_comp.id                                   TFJ
_chem_comp.name                                 "(1E,3R,4R,5S,6R,9S,10S,12S)-12-[(4-aminobutanoyl)oxy]-1-[ethyl(formyl)amino]-4,10-dimethoxy-3,5,9,13-tetramethyltetradec-1-en-6-yl (2R)-oxolane-2-carboxylate"
_chem_comp.type                                 non-polymer
_chem_comp.pdbx_type                            HETAIN
_chem_comp.formula                              "C32 H58 N2 O8"
_chem_comp.mon_nstd_parent_comp_id              ?
_chem_comp.pdbx_synonyms                        ?
_chem_comp.pdbx_formal_charge                   0
_chem_comp.pdbx_initial_date                    2020-03-20
_chem_comp.pdbx_modified_date                   2020-10-16
_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                       598.812
_chem_comp.one_letter_code                      ?
_chem_comp.three_letter_code                    TFJ
_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       6W7V
_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
TFJ  N1   N1   N  0  1  N  N  N   -0.356  14.627  23.342  -7.016  -1.190  -1.782  N1   TFJ    1  
TFJ  C4   C1   C  0  1  N  N  R   -3.853  16.116  24.082  -4.300   1.305  -1.190  C4   TFJ    2  
TFJ  C5   C2   C  0  1  N  N  N   -0.215  14.919  21.900  -8.171  -0.329  -2.049  C5   TFJ    3  
TFJ  C6   C3   C  0  1  N  N  N   -0.846  13.758  21.150  -8.887  -0.014  -0.734  C6   TFJ    4  
TFJ  C7   C4   C  0  1  N  N  R   -5.117  15.272  23.828  -4.278   2.074   0.132  C7   TFJ    5  
TFJ  C8   C5   C  0  1  N  N  S   -4.933  13.806  24.279  -2.937   2.796   0.279  C8   TFJ    6  
TFJ  C10  C6   C  0  1  N  N  N   -6.494  16.199  22.100  -5.795   1.060   1.686  C10  TFJ    7  
TFJ  C13  C7   C  0  1  N  N  N   -6.144  11.628  23.724  -0.461   2.493   0.417  C13  TFJ    8  
TFJ  C15  C8   C  0  1  N  N  R   -9.336  13.711  26.327  -1.662  -1.422   2.302  C15  TFJ    9  
TFJ  C17  C9   C  0  1  N  N  N  -10.610  11.732  27.101  -3.033  -3.196   3.139  C17  TFJ   10  
TFJ  C20  C10  C  0  1  N  N  S   -7.385   9.435  23.243   2.021   2.204   0.429  C20  TFJ   11  
TFJ  C21  C11  C  0  1  N  N  S   -8.613   8.577  23.598   3.156   1.178   0.422  C21  TFJ   12  
TFJ  C22  C12  C  0  1  N  N  N   -7.235   9.442  21.769   2.207   3.178  -0.737  C22  TFJ   13  
TFJ  C24  C13  C  0  1  N  N  S  -11.033   8.187  23.440   4.261  -0.625  -0.908  C24  TFJ   14  
TFJ  C26  C14  C  0  1  N  N  N  -13.527   7.930  23.694   4.140  -0.766  -3.400  C26  TFJ   15  
TFJ  C28  C15  C  0  1  N  N  N  -10.613   5.786  23.243   6.603  -0.361  -0.553  C28  TFJ   16  
TFJ  C1   C16  C  0  1  N  N  N    0.669  13.942  24.084  -7.143  -2.530  -1.856  C1   TFJ   17  
TFJ  C11  C17  C  0  1  N  N  N   -4.528  13.669  25.725  -2.915   3.567   1.601  C11  TFJ   18  
TFJ  C12  C18  C  0  1  N  N  R   -6.310  13.118  24.027  -1.802   1.770   0.269  C12  TFJ   19  
TFJ  C14  C19  C  0  1  N  N  N   -8.419  13.780  25.045  -1.516  -0.405   1.199  C14  TFJ   20  
TFJ  C16  C20  C  0  1  N  N  N  -10.494  12.851  26.141  -3.155  -1.780   2.512  C16  TFJ   21  
TFJ  C18  C21  C  0  1  N  N  N   -9.304  11.959  28.005  -1.789  -3.765   2.424  C18  TFJ   22  
TFJ  C19  C22  C  0  1  N  N  N   -7.545  10.889  23.736   0.680   1.482   0.281  C19  TFJ   23  
TFJ  C2   C23  C  0  1  N  N  N   -1.549  15.034  24.098  -5.786  -0.624  -1.459  C2   TFJ   24  
TFJ  C23  C24  C  0  1  N  N  N   -9.923   9.210  23.090   3.057   0.316  -0.838  C23  TFJ   25  
TFJ  C25  C25  C  0  1  N  N  N  -12.408   8.834  23.197   4.100  -1.572  -2.099  C25  TFJ   26  
TFJ  C27  C26  C  0  1  N  N  N  -12.484   8.985  21.676   5.239  -2.593  -2.097  C27  TFJ   27  
TFJ  C29  C27  C  0  1  N  N  N  -10.327   4.546  22.349   7.902   0.391  -0.682  C29  TFJ   28  
TFJ  C3   C28  C  0  1  N  N  N   -2.705  15.531  23.208  -5.660   0.687  -1.389  C3   TFJ   29  
TFJ  C30  C29  C  0  1  N  N  N  -10.539   3.216  23.111   9.023  -0.408  -0.013  C30  TFJ   30  
TFJ  C31  C30  C  0  1  N  N  N  -10.435   2.023  22.122  10.342   0.355  -0.144  C31  TFJ   31  
TFJ  C32  C31  C  0  1  N  N  N   -7.764   7.638  25.613   3.825   0.797   2.692  C32  TFJ   32  
TFJ  C9   C32  C  0  1  N  N  N   -4.044  17.547  23.662  -4.003   2.265  -2.344  C9   TFJ   33  
TFJ  N2   N2   N  0  1  N  N  N  -11.071   0.865  22.750  11.417  -0.412   0.498  N2   TFJ   34  
TFJ  O1   O1   O  0  1  N  N  N    1.646  13.617  23.514  -6.167  -3.239  -1.736  O1   TFJ   35  
TFJ  O2   O2   O  0  1  N  N  N   -5.398  15.373  22.465  -4.449   1.160   1.217  O2   TFJ   36  
TFJ  O3   O3   O  0  1  N  N  N   -7.126  13.223  25.174  -1.976   0.844   1.373  O3   TFJ   37  
TFJ  O4   O4   O  0  1  N  N  N   -8.742  14.286  24.026  -0.985  -0.714   0.159  O4   TFJ   38  
TFJ  O5   O5   O  0  1  N  N  N   -8.603  13.163  27.408  -1.030  -2.656   1.929  O5   TFJ   39  
TFJ  O6   O6   O  0  1  N  N  N   -8.691   8.497  24.980   3.052   0.345   1.578  O6   TFJ   40  
TFJ  O7   O7   O  0  1  N  N  N  -10.893   7.039  22.604   5.476   0.154  -1.070  O7   TFJ   41  
TFJ  O8   O8   O  0  1  N  N  N  -10.592   5.700  24.424   6.575  -1.426   0.016  O8   TFJ   42  
TFJ  H4   H1   H  0  1  N  N  N   -3.574  16.062  25.145  -3.545   0.520  -1.167  H4   TFJ   43  
TFJ  H6   H2   H  0  1  N  N  N    0.849  15.007  21.634  -7.833   0.600  -2.510  H6   TFJ   44  
TFJ  H5   H3   H  0  1  N  N  N   -0.734  15.856  21.652  -8.857  -0.840  -2.723  H5   TFJ   45  
TFJ  H8   H4   H  0  1  N  N  N   -0.764  13.933  20.067  -9.801   0.542  -0.942  H8   TFJ   46  
TFJ  H7   H5   H  0  1  N  N  N   -0.324  12.826  21.412  -9.136  -0.945  -0.224  H7   TFJ   47  
TFJ  H9   H6   H  0  1  N  N  N   -1.907  13.675  21.429  -8.234   0.584  -0.099  H9   TFJ   48  
TFJ  H10  H7   H  0  1  N  N  N   -5.940  15.707  24.414  -5.087   2.805   0.141  H10  TFJ   49  
TFJ  H11  H8   H  0  1  N  N  N   -4.176  13.328  23.640  -2.806   3.492  -0.549  H11  TFJ   50  
TFJ  H17  H9   H  0  1  N  N  N   -6.609  16.194  21.006  -6.170   2.054   1.929  H17  TFJ   51  
TFJ  H15  H10  H  0  1  N  N  N   -7.413  15.816  22.567  -6.418   0.616   0.910  H15  TFJ   52  
TFJ  H16  H11  H  0  1  N  N  N   -6.309  17.227  22.444  -5.823   0.433   2.578  H16  TFJ   53  
TFJ  H23  H12  H  0  1  N  N  N   -5.492  11.176  24.486  -0.369   3.250  -0.361  H23  TFJ   54  
TFJ  H22  H13  H  0  1  N  N  N   -5.684  11.511  22.732  -0.410   2.969   1.396  H22  TFJ   55  
TFJ  H24  H14  H  0  1  N  N  N   -9.666  14.732  26.568  -1.231  -1.040   3.227  H24  TFJ   56  
TFJ  H28  H15  H  0  1  N  N  N  -11.531  11.807  27.698  -2.866  -3.131   4.215  H28  TFJ   57  
TFJ  H27  H16  H  0  1  N  N  N  -10.582  10.758  26.590  -3.916  -3.797   2.921  H27  TFJ   58  
TFJ  H33  H17  H  0  1  N  N  N   -6.491   8.994  23.708   2.035   2.756   1.369  H33  TFJ   59  
TFJ  H34  H18  H  0  1  N  N  N   -8.497   7.580  23.147   4.115   1.697   0.433  H34  TFJ   60  
TFJ  H36  H19  H  0  1  N  N  N   -6.362  10.051  21.492   1.398   3.909  -0.732  H36  TFJ   61  
TFJ  H35  H20  H  0  1  N  N  N   -7.093   8.412  21.410   3.162   3.692  -0.632  H35  TFJ   62  
TFJ  H37  H21  H  0  1  N  N  N   -8.139   9.869  21.311   2.192   2.626  -1.677  H37  TFJ   63  
TFJ  H40  H22  H  0  1  N  N  N  -10.945   7.910  24.501   4.322  -1.206   0.012  H40  TFJ   64  
TFJ  H44  H23  H  0  1  N  N  N  -13.460   7.830  24.787   5.094  -0.246  -3.476  H44  TFJ   65  
TFJ  H43  H24  H  0  1  N  N  N  -14.499   8.368  23.424   4.025  -1.441  -4.248  H43  TFJ   66  
TFJ  H42  H25  H  0  1  N  N  N  -13.430   6.938  23.229   3.328  -0.039  -3.401  H42  TFJ   67  
TFJ  H1   H26  H  0  1  N  N  N    0.545  13.732  25.136  -8.115  -2.971  -2.021  H1   TFJ   68  
TFJ  H19  H27  H  0  1  N  N  N   -4.416  12.604  25.976  -2.004   4.162   1.659  H19  TFJ   69  
TFJ  H20  H28  H  0  1  N  N  N   -3.571  14.187  25.888  -3.783   4.226   1.651  H20  TFJ   70  
TFJ  H18  H29  H  0  1  N  N  N   -5.301  14.117  26.366  -2.945   2.864   2.433  H18  TFJ   71  
TFJ  H21  H30  H  0  1  N  N  N   -6.791  13.605  23.166  -1.817   1.221  -0.672  H21  TFJ   72  
TFJ  H26  H31  H  0  1  N  N  N  -11.397  13.472  26.232  -3.632  -1.084   3.202  H26  TFJ   73  
TFJ  H25  H32  H  0  1  N  N  N  -10.442  12.426  25.128  -3.688  -1.816   1.562  H25  TFJ   74  
TFJ  H30  H33  H  0  1  N  N  N   -9.589  12.158  29.049  -1.189  -4.340   3.128  H30  TFJ   75  
TFJ  H29  H34  H  0  1  N  N  N   -8.651  11.075  27.965  -2.099  -4.402   1.595  H29  TFJ   76  
TFJ  H32  H35  H  0  1  N  N  N   -8.243  11.422  23.074   0.588   0.724   1.059  H32  TFJ   77  
TFJ  H31  H36  H  0  1  N  N  N   -7.944  10.883  24.761   0.630   1.006  -0.698  H31  TFJ   78  
TFJ  H2   H37  H  0  1  N  N  N   -1.610  14.989  25.175  -4.933  -1.259  -1.266  H2   TFJ   79  
TFJ  H38  H39  H  0  1  N  N  N   -9.877   9.372  22.003   2.139  -0.270  -0.806  H38  TFJ   80  
TFJ  H39  H40  H  0  1  N  N  N  -10.109  10.169  23.596   3.047   0.959  -1.718  H39  TFJ   81  
TFJ  H41  H41  H  0  1  N  N  N  -12.460   9.818  23.685   3.145  -2.092  -2.023  H41  TFJ   82  
TFJ  H45  H42  H  0  1  N  N  N  -13.444   9.445  21.400   6.194  -2.073  -2.173  H45  TFJ   83  
TFJ  H47  H43  H  0  1  N  N  N  -11.659   9.624  21.329   5.210  -3.167  -1.171  H47  TFJ   84  
TFJ  H46  H44  H  0  1  N  N  N  -12.403   7.994  21.205   5.124  -3.267  -2.945  H46  TFJ   85  
TFJ  H49  H45  H  0  1  N  N  N   -9.285   4.593  22.001   8.137   0.533  -1.737  H49  TFJ   86  
TFJ  H48  H46  H  0  1  N  N  N  -11.004   4.570  21.483   7.810   1.363  -0.197  H48  TFJ   87  
TFJ  H3   H47  H  0  1  N  N  N   -2.717  15.481  22.129  -6.533   1.318  -1.474  H3   TFJ   88  
TFJ  H50  H49  H  0  1  N  N  N  -11.535   3.217  23.579   8.788  -0.549   1.042  H50  TFJ   89  
TFJ  H51  H50  H  0  1  N  N  N   -9.768   3.114  23.889   9.115  -1.380  -0.498  H51  TFJ   90  
TFJ  H53  H51  H  0  1  N  N  N   -9.378   1.802  21.913  10.577   0.497  -1.199  H53  TFJ   91  
TFJ  H52  H52  H  0  1  N  N  N  -10.951   2.270  21.182  10.249   1.327   0.341  H52  TFJ   92  
TFJ  H56  H53  H  0  1  N  N  N   -7.926   7.661  26.701   3.625   0.162   3.555  H56  TFJ   93  
TFJ  H58  H54  H  0  1  N  N  N   -7.904   6.612  25.243   4.885   0.747   2.442  H58  TFJ   94  
TFJ  H57  H55  H  0  1  N  N  N   -6.741   7.973  25.388   3.555   1.826   2.928  H57  TFJ   95  
TFJ  H12  H56  H  0  1  N  N  N   -4.850  18.000  24.258  -4.125   1.742  -3.292  H12  TFJ   96  
TFJ  H14  H57  H  0  1  N  N  N   -3.110  18.105  23.825  -4.692   3.108  -2.302  H14  TFJ   97  
TFJ  H13  H58  H  0  1  N  N  N   -4.311  17.583  22.596  -2.979   2.629  -2.259  H13  TFJ   98  
TFJ  H55  H59  H  0  1  N  N  N  -11.018   0.080  22.133  11.481  -1.341   0.110  H55  TFJ   99  
TFJ  H60  H60  H  0  1  N  N  N  -10.600   0.649  23.605  12.300   0.072   0.425  H60  TFJ  100  
#   #
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
TFJ  C6   C5   SING  N  N    1  
TFJ  C27  C25  SING  N  N    2  
TFJ  C22  C20  SING  N  N    3  
TFJ  C5   N1   SING  N  N    4  
TFJ  C10  O2   SING  N  N    5  
TFJ  C31  N2   SING  N  N    6  
TFJ  C31  C30  SING  N  N    7  
TFJ  C29  C30  SING  N  N    8  
TFJ  C29  C28  SING  N  N    9  
TFJ  O2   C7   SING  N  N   10  
TFJ  O7   C28  SING  N  N   11  
TFJ  O7   C24  SING  N  N   12  
TFJ  C23  C24  SING  N  N   13  
TFJ  C23  C21  SING  N  N   14  
TFJ  C25  C24  SING  N  N   15  
TFJ  C25  C26  SING  N  N   16  
TFJ  C3   C4   SING  N  N   17  
TFJ  C3   C2   DOUB  N  E   18  
TFJ  C20  C21  SING  N  N   19  
TFJ  C20  C19  SING  N  N   20  
TFJ  C28  O8   DOUB  N  N   21  
TFJ  N1   C1   SING  N  N   22  
TFJ  N1   C2   SING  N  N   23  
TFJ  O1   C1   DOUB  N  N   24  
TFJ  C21  O6   SING  N  N   25  
TFJ  C9   C4   SING  N  N   26  
TFJ  C13  C19  SING  N  N   27  
TFJ  C13  C12  SING  N  N   28  
TFJ  C7   C4   SING  N  N   29  
TFJ  C7   C8   SING  N  N   30  
TFJ  O4   C14  DOUB  N  N   31  
TFJ  C12  C8   SING  N  N   32  
TFJ  C12  O3   SING  N  N   33  
TFJ  C8   C11  SING  N  N   34  
TFJ  O6   C32  SING  N  N   35  
TFJ  C14  O3   SING  N  N   36  
TFJ  C14  C15  SING  N  N   37  
TFJ  C16  C15  SING  N  N   38  
TFJ  C16  C17  SING  N  N   39  
TFJ  C15  O5   SING  N  N   40  
TFJ  C17  C18  SING  N  N   41  
TFJ  O5   C18  SING  N  N   42  
TFJ  C4   H4   SING  N  N   43  
TFJ  C5   H6   SING  N  N   44  
TFJ  C5   H5   SING  N  N   45  
TFJ  C6   H8   SING  N  N   46  
TFJ  C6   H7   SING  N  N   47  
TFJ  C6   H9   SING  N  N   48  
TFJ  C7   H10  SING  N  N   49  
TFJ  C8   H11  SING  N  N   50  
TFJ  C10  H17  SING  N  N   51  
TFJ  C10  H15  SING  N  N   52  
TFJ  C10  H16  SING  N  N   53  
TFJ  C13  H23  SING  N  N   54  
TFJ  C13  H22  SING  N  N   55  
TFJ  C15  H24  SING  N  N   56  
TFJ  C17  H28  SING  N  N   57  
TFJ  C17  H27  SING  N  N   58  
TFJ  C20  H33  SING  N  N   59  
TFJ  C21  H34  SING  N  N   60  
TFJ  C22  H36  SING  N  N   61  
TFJ  C22  H35  SING  N  N   62  
TFJ  C22  H37  SING  N  N   63  
TFJ  C24  H40  SING  N  N   64  
TFJ  C26  H44  SING  N  N   65  
TFJ  C26  H43  SING  N  N   66  
TFJ  C26  H42  SING  N  N   67  
TFJ  C1   H1   SING  N  N   68  
TFJ  C11  H19  SING  N  N   69  
TFJ  C11  H20  SING  N  N   70  
TFJ  C11  H18  SING  N  N   71  
TFJ  C12  H21  SING  N  N   72  
TFJ  C16  H26  SING  N  N   73  
TFJ  C16  H25  SING  N  N   74  
TFJ  C18  H30  SING  N  N   75  
TFJ  C18  H29  SING  N  N   76  
TFJ  C19  H32  SING  N  N   77  
TFJ  C19  H31  SING  N  N   78  
TFJ  C2   H2   SING  N  N   79  
TFJ  C23  H38  SING  N  N   80  
TFJ  C23  H39  SING  N  N   81  
TFJ  C25  H41  SING  N  N   82  
TFJ  C27  H45  SING  N  N   83  
TFJ  C27  H47  SING  N  N   84  
TFJ  C27  H46  SING  N  N   85  
TFJ  C29  H49  SING  N  N   86  
TFJ  C29  H48  SING  N  N   87  
TFJ  C3   H3   SING  N  N   88  
TFJ  C30  H50  SING  N  N   89  
TFJ  C30  H51  SING  N  N   90  
TFJ  C31  H53  SING  N  N   91  
TFJ  C31  H52  SING  N  N   92  
TFJ  C32  H56  SING  N  N   93  
TFJ  C32  H58  SING  N  N   94  
TFJ  C32  H57  SING  N  N   95  
TFJ  C9   H12  SING  N  N   96  
TFJ  C9   H14  SING  N  N   97  
TFJ  C9   H13  SING  N  N   98  
TFJ  N2   H55  SING  N  N   99  
TFJ  N2   H60  SING  N  N  100  
#   #
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
TFJ  SMILES            ACDLabs               12.01  "N(C=O)([C@H]=CC(C(C(C)C(CCC(C(OC)CC(C(C)C)OC(=O)CCCN)C)OC(C1OCCC1)=O)OC)C)CC"  
TFJ  InChI             InChI                 1.03   "InChI=1S/C32H58N2O8/c1-9-34(21-35)18-16-24(5)31(39-8)25(6)26(42-32(37)27-12-11-19-40-27)15-14-23(4)29(38-7)20-28(22(2)3)41-30(36)13-10-17-33/h16,18,21-29,31H,9-15,17,19-20,33H2,1-8H3/b18-16+/t23-,24+,25-,26+,27+,28-,29-,31+/m0/s1"  
TFJ  InChIKey          InChI                 1.03   DFAGFTKICVXUOP-RYYFKAAMSA-N  
TFJ  SMILES_CANONICAL  CACTVS                3.385  "CCN(C=O)/C=C/[C@@H](C)[C@@H](OC)[C@@H](C)[C@@H](CC[C@H](C)[C@H](C[C@H](OC(=O)CCCN)C(C)C)OC)OC(=O)[C@H]1CCCO1"  
TFJ  SMILES            CACTVS                3.385  "CCN(C=O)C=C[CH](C)[CH](OC)[CH](C)[CH](CC[CH](C)[CH](C[CH](OC(=O)CCCN)C(C)C)OC)OC(=O)[CH]1CCCO1"  
TFJ  SMILES_CANONICAL  "OpenEye OEToolkits"  2.0.7  "CCN(/C=C/[C@@H](C)[C@H]([C@@H](C)[C@@H](CC[C@H](C)[C@H](C[C@@H](C(C)C)OC(=O)CCCN)OC)OC(=O)[C@H]1CCCO1)OC)C=O"  
TFJ  SMILES            "OpenEye OEToolkits"  2.0.7  "CCN(C=CC(C)C(C(C)C(CCC(C)C(CC(C(C)C)OC(=O)CCCN)OC)OC(=O)C1CCCO1)OC)C=O"  
#   #
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
TFJ  "SYSTEMATIC NAME"  ACDLabs               12.01  "(1E,3R,4R,5S,6R,9S,10S,12S)-12-[(4-aminobutanoyl)oxy]-1-[ethyl(formyl)amino]-4,10-dimethoxy-3,5,9,13-tetramethyltetradec-1-en-6-yl (2R)-oxolane-2-carboxylate"  
TFJ  "SYSTEMATIC NAME"  "OpenEye OEToolkits"  2.0.7  "[(~{E},3~{R},4~{R},5~{S},6~{R},9~{S},10~{S},12~{S})-12-(4-azanylbutanoyloxy)-1-[ethyl(methanoyl)amino]-4,10-dimethoxy-3,5,9,13-tetramethyl-tetradec-1-en-6-yl] (2~{R})-oxolane-2-carboxylate"  
#   #
loop_
_pdbx_chem_comp_audit.comp_id
_pdbx_chem_comp_audit.action_type
_pdbx_chem_comp_audit.date
_pdbx_chem_comp_audit.processing_site
TFJ  "Create component"    2020-03-20  RCSB  
TFJ  "Other modification"  2020-10-13  RCSB  
TFJ  "Initial release"     2020-10-21  RCSB  
##
