data_JB9
#

_chem_comp.id                                   JB9
_chem_comp.name                                 "~{N}-[(2~{R},3~{R},4~{R},5~{S},6~{R})-5-[(2~{S},3~{R},4~{S},5~{S},6~{R})-4-[[1-[[3-[(~{Z})-3-[bis(azanyl)methylideneamino]prop-1-enyl]phenyl]methyl]-1,2,3-triazol-4-yl]methoxy]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]oxy-6-(hydroxymethyl)-4-oxidanyl-2-prop-2-enoxy-oxan-3-yl]ethanamide"
_chem_comp.type                                 NON-POLYMER
_chem_comp.pdbx_type                            HETAIN
_chem_comp.formula                              "C31 H45 N7 O11"
_chem_comp.mon_nstd_parent_comp_id              ?
_chem_comp.pdbx_synonyms                        JB97
_chem_comp.pdbx_formal_charge                   0
_chem_comp.pdbx_initial_date                    2017-01-19
_chem_comp.pdbx_modified_date                   2021-03-01
_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                       691.729
_chem_comp.one_letter_code                      ?
_chem_comp.three_letter_code                    JB9
_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       5MWT
_chem_comp.pdbx_subcomponent_list               ?
_chem_comp.pdbx_processing_site                 EBI
#   #
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
JB9  C4   C1   C  0  1  N  N  S  -1.806  31.043  17.577    4.894  -0.090   0.114  C4   JB9   1  
JB9  C5   C2   C  0  1  N  N  R  -3.089  31.469  18.274    5.202  -1.574   0.327  C5   JB9   2  
JB9  C6   C3   C  0  1  N  N  N  -3.451  30.453  19.359    4.194  -2.422  -0.451  C6   JB9   3  
JB9  C7   C4   C  0  1  N  N  N  -0.086  35.399  16.389    9.558   1.349   0.531  C7   JB9   4  
JB9  C8   C5   C  0  1  N  N  N   0.081  36.403  15.246   10.604   2.116   1.299  C8   JB9   5  
JB9  N2   N1   N  0  1  N  N  N  -1.013  34.452  16.186    8.352   1.115   1.084  N2   JB9   6  
JB9  C3   C6   C  0  1  N  N  R  -1.463  32.075  16.521    5.943   0.752   0.846  C3   JB9   7  
JB9  C1   C7   C  0  1  N  N  R  -2.599  33.773  17.928    7.550  -1.133   0.543  C1   JB9   8  
JB9  C2   C8   C  0  1  N  N  R  -1.306  33.424  17.195    7.336   0.369   0.338  C2   JB9   9  
JB9  CAL  C9   C  0  1  N  N  N  -2.812  36.138  17.825    9.173  -2.873   0.260  CAL  JB9  10  
JB9  CAM  C10  C  0  1  N  N  N  -1.921  37.330  18.186   10.530  -3.158  -0.331  CAM  JB9  11  
JB9  CAN  C11  C  0  1  N  N  N  -2.483  38.702  17.811   11.417  -3.830   0.359  CAN  JB9  12  
JB9  CAO  C12  C  0  1  N  N  S  -0.885  26.271  17.620    0.140   0.614  -0.784  CAO  JB9  13  
JB9  CAP  C13  C  0  1  N  N  S   0.598  26.579  17.556    0.470   1.874  -1.592  CAP  JB9  14  
JB9  CAQ  C14  C  0  1  N  N  R   0.853  27.913  18.244    1.874   1.736  -2.186  CAQ  JB9  15  
JB9  CAS  C15  C  0  1  N  N  S  -1.303  28.719  17.639    2.586   0.336  -0.373  CAS  JB9  16  
JB9  CAT  C16  C  0  1  N  N  R  -1.640  27.401  16.962    1.210   0.417   0.294  CAT  JB9  17  
JB9  CAW  C17  C  0  1  N  N  N   2.348  28.235  18.190    2.235   3.015  -2.944  CAW  JB9  18  
JB9  CAZ  C18  C  0  1  N  N  N  -1.009  23.899  17.719   -1.843  -0.466   0.021  CAZ  JB9  19  
JB9  CBA  C19  C  0  1  Y  N  N  -1.131  22.657  16.833   -3.172  -0.191   0.675  CBA  JB9  20  
JB9  CBB  C20  C  0  1  Y  N  N  -2.217  22.266  16.191   -3.659   1.017   1.042  CBB  JB9  21  
JB9  CBF  C21  C  0  1  N  N  N  -2.681  20.308  14.697   -5.784   1.798   2.127  CBF  JB9  22  
JB9  CBG  C22  C  0  1  Y  N  N  -2.453  20.576  13.347   -7.126   1.684   1.451  CBG  JB9  23  
JB9  CBH  C23  C  0  1  Y  N  N  -3.233  19.942  12.387   -8.097   0.862   1.983  CBH  JB9  24  
JB9  CBI  C24  C  0  1  Y  N  N  -3.023  20.192  11.036   -9.339   0.757   1.355  CBI  JB9  25  
JB9  CBJ  C25  C  0  1  Y  N  N  -2.028  21.079  10.640   -9.590   1.486   0.192  CBJ  JB9  26  
JB9  CBK  C26  C  0  1  Y  N  N  -1.246  21.713  11.599   -8.610   2.304  -0.330  CBK  JB9  27  
JB9  CBL  C27  C  0  1  Y  N  N  -1.458  21.463  12.951   -7.383   2.408   0.300  CBL  JB9  28  
JB9  CBM  C28  C  0  1  N  N  N  -3.832  19.533  10.060  -10.385  -0.122   1.920  CBM  JB9  29  
JB9  CBN  C29  C  0  1  N  N  N  -4.526  18.968   9.230  -11.173  -0.818   1.113  CBN  JB9  30  
JB9  CBO  C30  C  0  1  N  N  N  -5.364  18.286   8.235  -10.892  -0.854  -0.367  CBO  JB9  31  
JB9  CBQ  C31  C  0  1  N  N  N  -3.828  16.817   6.946  -11.686  -2.693  -1.687  CBQ  JB9  32  
JB9  NBC  N2   N  0  1  Y  N  N  -1.828  21.158  15.565   -4.876   0.783   1.586  NBC  JB9  33  
JB9  NBD  N3   N  0  1  Y  N  N  -0.614  20.935  15.838   -5.100  -0.484   1.545  NBD  JB9  34  
JB9  NBE  N4   N  0  1  Y  N  N  -0.160  21.794  16.577   -4.105  -1.092   1.003  NBE  JB9  35  
JB9  NBP  N5   N  0  1  N  N  N  -4.553  17.939   7.058  -10.823  -2.246  -0.818  NBP  JB9  36  
JB9  NBR  N6   N  0  1  N  N  N  -3.811  15.926   7.947  -12.580  -1.830  -2.275  NBR  JB9  37  
JB9  NBS  N7   N  0  1  N  N  N  -3.120  16.585   5.832  -11.702  -4.028  -2.014  NBS  JB9  38  
JB9  O1   O1   O  0  1  N  N  N  -2.444  35.017  18.635    8.825  -1.508   0.020  O1   JB9  39  
JB9  O3   O2   O  0  1  N  N  N  -0.235  31.714  15.867    5.706   2.138   0.592  O3   JB9  40  
JB9  O4   O3   O  0  1  N  N  N  -2.001  29.768  16.950    3.595   0.208   0.630  O4   JB9  41  
JB9  O5   O4   O  0  1  N  N  N  -2.906  32.753  18.893    6.523  -1.857  -0.139  O5   JB9  42  
JB9  O6   O5   O  0  1  N  N  N  -2.513  30.555  20.433    4.405  -3.804  -0.155  O6   JB9  43  
JB9  O7   O6   O  0  1  N  N  N   0.597  35.481  17.409    9.802   0.942  -0.586  O7   JB9  44  
JB9  OAR  O7   O  0  1  N  N  N   0.116  28.955  17.575    2.816   1.524  -1.133  OAR  JB9  45  
JB9  OAU  O8   O  0  1  N  N  N  -3.051  27.152  17.068    0.952  -0.794   1.007  OAU  JB9  46  
JB9  OAV  O9   O  0  1  N  N  N   1.014  26.667  16.186    0.424   3.016  -0.734  OAV  JB9  47  
JB9  OAX  O10  O  0  1  N  N  N   2.598  29.469  18.873    3.495   2.843  -3.596  OAX  JB9  48  
JB9  OAY  O11  O  0  1  N  N  N  -1.168  25.061  16.903   -1.141   0.764  -0.167  OAY  JB9  49  
JB9  H1   H1   H  0  1  N  N  N  -0.991  30.990  18.314    4.923   0.139  -0.952  H1   JB9  50  
JB9  H2   H2   H  0  1  N  N  N  -3.904  31.513  17.536    5.133  -1.810   1.389  H2   JB9  51  
JB9  H3   H3   H  0  1  N  N  N  -4.464  30.661  19.734    3.182  -2.138  -0.163  H3   JB9  52  
JB9  H4   H4   H  0  1  N  N  N  -3.418  29.438  18.937    4.327  -2.255  -1.520  H4   JB9  53  
JB9  H5   H5   H  0  1  N  N  N   0.861  37.133  15.509   11.506   2.205   0.694  H5   JB9  54  
JB9  H6   H6   H  0  1  N  N  N   0.373  35.870  14.329   10.224   3.111   1.534  H6   JB9  55  
JB9  H7   H7   H  0  1  N  N  N  -0.871  36.928  15.077   10.836   1.587   2.223  H7   JB9  56  
JB9  H8   H8   H  0  1  N  N  N  -1.519  34.445  15.324    8.156   1.440   1.977  H8   JB9  57  
JB9  H9   H9   H  0  1  N  N  N  -2.283  32.130  15.789    5.880   0.561   1.918  H9   JB9  58  
JB9  H10  H10  H  0  1  N  N  N  -3.413  33.855  17.193    7.511  -1.364   1.608  H10  JB9  59  
JB9  H11  H11  H  0  1  N  N  N  -0.483  33.371  17.923    7.415   0.608  -0.723  H11  JB9  60  
JB9  H12  H12  H  0  1  N  N  N  -3.865  36.396  18.010    8.431  -3.524  -0.202  H12  JB9  61  
JB9  H13  H13  H  0  1  N  N  N  -2.677  35.885  16.763    9.199  -3.058   1.334  H13  JB9  62  
JB9  H14  H14  H  0  1  N  N  N  -0.964  37.210  18.671   10.770  -2.807  -1.324  H14  JB9  63  
JB9  H16  H16  H  0  1  N  N  N  -1.918  39.596  18.031   11.177  -4.181   1.352  H16  JB9  64  
JB9  H17  H17  H  0  1  N  N  N  -3.445  38.777  17.327   12.390  -4.034  -0.065  H17  JB9  65  
JB9  H19  H19  H  0  1  N  N  N  -1.197  26.182  18.671    0.126  -0.251  -1.447  H19  JB9  66  
JB9  H20  H20  H  0  1  N  N  N   1.157  25.789  18.078   -0.256   1.991  -2.396  H20  JB9  67  
JB9  H21  H21  H  0  1  N  N  N   0.540  27.841  19.296    1.897   0.888  -2.871  H21  JB9  68  
JB9  H22  H22  H  0  1  N  N  N  -1.630  28.674  18.688    2.618  -0.530  -1.034  H22  JB9  69  
JB9  H23  H23  H  0  1  N  N  N  -1.347  27.459  15.903    1.189   1.259   0.986  H23  JB9  70  
JB9  H24  H24  H  0  1  N  N  N   2.915  27.427  18.675    1.467   3.225  -3.688  H24  JB9  71  
JB9  H25  H25  H  0  1  N  N  N   2.665  28.326  17.141    2.299   3.847  -2.243  H25  JB9  72  
JB9  H26  H26  H  0  1  N  N  N  -1.791  23.880  18.493   -1.254  -1.127   0.658  H26  JB9  73  
JB9  H27  H27  H  0  1  N  N  N  -0.019  23.916  18.198   -2.005  -0.943  -0.946  H27  JB9  74  
JB9  H28  H28  H  0  1  N  N  N  -3.190  22.734  16.177   -3.174   1.975   0.925  H28  JB9  75  
JB9  H29  H29  H  0  1  N  N  N  -3.738  20.506  14.928   -5.369   2.790   1.946  H29  JB9  76  
JB9  H30  H30  H  0  1  N  N  N  -2.454  19.250  14.896   -5.904   1.644   3.199  H30  JB9  77  
JB9  H31  H31  H  0  1  N  N  N  -4.006  19.252  12.692   -7.897   0.301   2.884  H31  JB9  78  
JB9  H32  H32  H  0  1  N  N  N  -1.863  21.275   9.591  -10.549   1.409  -0.299  H32  JB9  79  
JB9  H33  H33  H  0  1  N  N  N  -0.472  22.401  11.294   -8.802   2.869  -1.231  H33  JB9  80  
JB9  H34  H34  H  0  1  N  N  N  -0.850  21.958  13.693   -6.619   3.050  -0.113  H34  JB9  81  
JB9  H35  H35  H  0  1  N  N  N  -6.185  18.952   7.930  -11.691  -0.338  -0.901  H35  JB9  82  
JB9  H36  H36  H  0  1  N  N  N  -5.781  17.368   8.675   -9.942  -0.359  -0.569  H36  JB9  83  
JB9  H38  H38  H  0  1  N  N  N  -4.339  16.098   8.778  -12.502  -0.875  -2.125  H38  JB9  84  
JB9  H39  H39  H  0  1  N  N  N  -3.270  15.089   7.863  -13.288  -2.176  -2.840  H39  JB9  85  
JB9  H40  H40  H  0  1  N  N  N  -2.580  15.748   5.748  -11.072  -4.637  -1.599  H40  JB9  86  
JB9  H41  H41  H  0  1  N  N  N  -0.337  30.869  15.446    6.338   2.731   1.021  H41  JB9  87  
JB9  H42  H42  H  0  1  N  N  N  -2.735  29.925  21.109    3.799  -4.401  -0.614  H42  JB9  88  
JB9  H43  H43  H  0  1  N  N  N  -3.530  27.861  16.655    1.593  -0.983   1.706  H43  JB9  89  
JB9  H44  H44  H  0  1  N  N  N   1.943  26.860  16.149    0.623   3.851  -1.181  H44  JB9  90  
JB9  H45  H45  H  0  1  N  N  N   3.526  29.668  18.839    3.787   3.616  -4.097  H45  JB9  91  
JB9  H46  H46  H  0  1  N  N  N  -3.229  19.957   9.271  -10.507  -0.197   2.991  H46  JB9  92  
JB9  H47  H47  H  0  1  N  N  N  -3.934  19.401   8.437  -12.015  -1.360   1.516  H47  JB9  93  
JB9  H37  H37  H  0  1  N  N  N  -3.132  17.249   5.085  -12.344  -4.361  -2.661  H37  JB9  94  
#   #
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
JB9  NBS  CBQ  SING  N  N   1  
JB9  CBQ  NBP  DOUB  N  N   2  
JB9  CBQ  NBR  SING  N  N   3  
JB9  NBP  CBO  SING  N  N   4  
JB9  CBO  CBN  SING  N  N   5  
JB9  CBN  CBM  DOUB  N  Z   6  
JB9  CBM  CBI  SING  N  N   7  
JB9  CBJ  CBI  DOUB  Y  N   8  
JB9  CBJ  CBK  SING  Y  N   9  
JB9  CBI  CBH  SING  Y  N  10  
JB9  CBK  CBL  DOUB  Y  N  11  
JB9  CBH  CBG  DOUB  Y  N  12  
JB9  CBL  CBG  SING  Y  N  13  
JB9  CBG  CBF  SING  N  N  14  
JB9  CBF  NBC  SING  N  N  15  
JB9  C8   C7   SING  N  N  16  
JB9  NBC  NBD  SING  Y  N  17  
JB9  NBC  CBB  SING  Y  N  18  
JB9  NBD  NBE  DOUB  Y  N  19  
JB9  O3   C3   SING  N  N  20  
JB9  N2   C7   SING  N  N  21  
JB9  N2   C2   SING  N  N  22  
JB9  OAV  CAP  SING  N  N  23  
JB9  CBB  CBA  DOUB  Y  N  24  
JB9  C7   O7   DOUB  N  N  25  
JB9  C3   C2   SING  N  N  26  
JB9  C3   C4   SING  N  N  27  
JB9  NBE  CBA  SING  Y  N  28  
JB9  CBA  CAZ  SING  N  N  29  
JB9  OAY  CAO  SING  N  N  30  
JB9  OAY  CAZ  SING  N  N  31  
JB9  O4   C4   SING  N  N  32  
JB9  O4   CAS  SING  N  N  33  
JB9  CAT  OAU  SING  N  N  34  
JB9  CAT  CAO  SING  N  N  35  
JB9  CAT  CAS  SING  N  N  36  
JB9  C2   C1   SING  N  N  37  
JB9  CAP  CAO  SING  N  N  38  
JB9  CAP  CAQ  SING  N  N  39  
JB9  OAR  CAS  SING  N  N  40  
JB9  OAR  CAQ  SING  N  N  41  
JB9  C4   C5   SING  N  N  42  
JB9  CAN  CAM  DOUB  N  N  43  
JB9  CAL  CAM  SING  N  N  44  
JB9  CAL  O1   SING  N  N  45  
JB9  C1   O1   SING  N  N  46  
JB9  C1   O5   SING  N  N  47  
JB9  CAW  CAQ  SING  N  N  48  
JB9  CAW  OAX  SING  N  N  49  
JB9  C5   O5   SING  N  N  50  
JB9  C5   C6   SING  N  N  51  
JB9  C6   O6   SING  N  N  52  
JB9  C4   H1   SING  N  N  53  
JB9  C5   H2   SING  N  N  54  
JB9  C6   H3   SING  N  N  55  
JB9  C6   H4   SING  N  N  56  
JB9  C8   H5   SING  N  N  57  
JB9  C8   H6   SING  N  N  58  
JB9  C8   H7   SING  N  N  59  
JB9  N2   H8   SING  N  N  60  
JB9  C3   H9   SING  N  N  61  
JB9  C1   H10  SING  N  N  62  
JB9  C2   H11  SING  N  N  63  
JB9  CAL  H12  SING  N  N  64  
JB9  CAL  H13  SING  N  N  65  
JB9  CAM  H14  SING  N  N  66  
JB9  CAN  H16  SING  N  N  67  
JB9  CAN  H17  SING  N  N  68  
JB9  CAO  H19  SING  N  N  69  
JB9  CAP  H20  SING  N  N  70  
JB9  CAQ  H21  SING  N  N  71  
JB9  CAS  H22  SING  N  N  72  
JB9  CAT  H23  SING  N  N  73  
JB9  CAW  H24  SING  N  N  74  
JB9  CAW  H25  SING  N  N  75  
JB9  CAZ  H26  SING  N  N  76  
JB9  CAZ  H27  SING  N  N  77  
JB9  CBB  H28  SING  N  N  78  
JB9  CBF  H29  SING  N  N  79  
JB9  CBF  H30  SING  N  N  80  
JB9  CBH  H31  SING  N  N  81  
JB9  CBJ  H32  SING  N  N  82  
JB9  CBK  H33  SING  N  N  83  
JB9  CBL  H34  SING  N  N  84  
JB9  CBO  H35  SING  N  N  85  
JB9  CBO  H36  SING  N  N  86  
JB9  NBR  H38  SING  N  N  87  
JB9  NBR  H39  SING  N  N  88  
JB9  NBS  H40  SING  N  N  89  
JB9  O3   H41  SING  N  N  90  
JB9  O6   H42  SING  N  N  91  
JB9  OAU  H43  SING  N  N  92  
JB9  OAV  H44  SING  N  N  93  
JB9  OAX  H45  SING  N  N  94  
JB9  CBM  H46  SING  N  N  95  
JB9  CBN  H47  SING  N  N  96  
JB9  NBS  H37  SING  N  N  97  
#   #
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
JB9  InChI             InChI                 1.03   "InChI=1S/C31H45N7O11/c1-3-10-45-29-23(35-17(2)41)25(43)27(22(15-40)48-29)49-30-26(44)28(24(42)21(14-39)47-30)46-16-20-13-38(37-36-20)12-19-7-4-6-18(11-19)8-5-9-34-31(32)33/h3-8,11,13,21-30,39-40,42-44H,1,9-10,12,14-16H2,2H3,(H,35,41)(H4,32,33,34)/b8-5-/t21-,22-,23-,24+,25-,26-,27-,28+,29-,30+/m1/s1"  
JB9  InChIKey          InChI                 1.03   WAFWFCVAGPTDEW-ORJNFUHYSA-N  
JB9  SMILES_CANONICAL  CACTVS                3.385  "CC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](OCc3cn(Cc4cccc(\C=C/CN=C(N)N)c4)nn3)[C@H]2O)[C@@H](CO)O[C@H]1OCC=C"  
JB9  SMILES            CACTVS                3.385  "CC(=O)N[CH]1[CH](O)[CH](O[CH]2O[CH](CO)[CH](O)[CH](OCc3cn(Cc4cccc(C=CCN=C(N)N)c4)nn3)[CH]2O)[CH](CO)O[CH]1OCC=C"  
JB9  SMILES_CANONICAL  "OpenEye OEToolkits"  2.0.6  "CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OCC=C)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)OCc3cn(nn3)Cc4cccc(c4)/C=C\CN=C(N)N)O)O"  
JB9  SMILES            "OpenEye OEToolkits"  2.0.6  "CC(=O)NC1C(C(C(OC1OCC=C)CO)OC2C(C(C(C(O2)CO)O)OCc3cn(nn3)Cc4cccc(c4)C=CCN=C(N)N)O)O"  
#
_pdbx_chem_comp_identifier.comp_id          JB9
_pdbx_chem_comp_identifier.type             "SYSTEMATIC NAME"
_pdbx_chem_comp_identifier.program          "OpenEye OEToolkits"
_pdbx_chem_comp_identifier.program_version  2.0.6
_pdbx_chem_comp_identifier.identifier       "~{N}-[(2~{R},3~{R},4~{R},5~{S},6~{R})-5-[(2~{S},3~{R},4~{S},5~{S},6~{R})-4-[[1-[[3-[(~{Z})-3-[bis(azanyl)methylideneamino]prop-1-enyl]phenyl]methyl]-1,2,3-triazol-4-yl]methoxy]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]oxy-6-(hydroxymethyl)-4-oxidanyl-2-prop-2-enoxy-oxan-3-yl]ethanamide"
#   #
loop_
_pdbx_chem_comp_audit.comp_id
_pdbx_chem_comp_audit.action_type
_pdbx_chem_comp_audit.date
_pdbx_chem_comp_audit.processing_site
JB9  "Create component"  2017-01-19  EBI   
JB9  "Initial release"   2018-02-14  RCSB  
JB9  "Modify synonyms"   2021-03-01  PDBE  
#
_pdbx_chem_comp_synonyms.ordinal     1
_pdbx_chem_comp_synonyms.comp_id     JB9
_pdbx_chem_comp_synonyms.name        JB97
_pdbx_chem_comp_synonyms.provenance  ?
_pdbx_chem_comp_synonyms.type        ?
##
