data_A1EAT
# 
_chem_comp.id                                    A1EAT 
_chem_comp.name                                  "~{N}-[2-[(2~{S},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyethyl]-4-[3-[4-[2-[(2~{S},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyethylcarbamoyl]phenyl]imidazol-3-ium-1-yl]benzamide" 
_chem_comp.type                                  non-polymer 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C33 H43 N4 O14" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    1 
_chem_comp.pdbx_initial_date                     2024-08-19 
_chem_comp.pdbx_modified_date                    2024-11-29 
_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                        719.713 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     A1EAT 
_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        9J1B 
_chem_comp.pdbx_subcomponent_list                "A1EAS ETA MAN ETA MAN" 
_chem_comp.pdbx_processing_site                  PDBC 
_chem_comp.pdbx_pcm                              ? 
# 
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.pdbx_n_terminal_atom_flag 
_chem_comp_atom.pdbx_backbone_atom_flag 
_chem_comp_atom.pdbx_c_terminal_atom_flag 
_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 
A1EAT C12  C1  C 0 1 Y N N N N N -54.622 10.412 5.619   4.961  -3.020 -0.786 C12 A1EAS 1  
A1EAT C14  C2  C 0 1 Y N N N N N -53.698 12.647 5.063   3.394  -4.823 -0.536 C14 A1EAS 2  
A1EAT C15  C3  C 0 1 N N N N N N -58.171 15.627 -3.405  -6.345 -2.551 1.008  C15 A1EAS 3  
A1EAT C9   C5  C 0 1 Y N N N N N -54.808 12.998 4.259   2.365  -3.898 -0.373 C9  A1EAS 4  
A1EAT C10  C6  C 0 1 Y N N N N N -55.781 11.951 4.190   2.636  -2.533 -0.428 C10 A1EAS 5  
A1EAT C11  C7  C 0 1 Y N N N N N -55.695 10.693 4.796   3.926  -2.095 -0.627 C11 A1EAS 6  
A1EAT C13  C8  C 0 1 Y N N N N N -53.627 11.408 5.753   4.684  -4.389 -0.742 C13 A1EAS 7  
A1EAT O7   O1  O 0 1 N N N N N N -55.582 8.549  6.753   7.242  -3.358 -1.149 O7  A1EAS 8  
A1EAT C24  C9  C 0 1 N N N N N N -54.548 9.074  6.345   6.344  -2.552 -1.006 C24 A1EAS 9  
A1EAT CG   C18 C 0 1 Y N N N N N -54.701 15.537 3.941   0.663  -5.636 -0.111 CG  A1EAS 10 
A1EAT CD2  C19 C 0 1 Y N N N N N -55.178 16.322 2.818   -0.666 -5.636 0.103  CD2 A1EAS 11 
A1EAT NE2  N2  N 0 1 Y N N N N N -55.685 15.382 1.893   -1.067 -4.337 0.172  NE2 A1EAS 12 
A1EAT CE1  C20 C 0 1 Y N N N N N -55.595 14.109 2.377   -0.001 -3.564 0.002  CE1 A1EAS 13 
A1EAT ND1  N3  N 1 1 Y N N N N N -54.988 14.203 3.585   1.066  -4.338 -0.167 ND1 A1EAS 14 
A1EAT C    C21 C 0 1 Y N N N N N -57.468 15.555 -2.093  -4.962 -3.019 0.789  C   A1EAS 15 
A1EAT C1   C22 C 0 1 Y N N N N N -57.204 14.374 -1.475  -4.685 -4.388 0.745  C1  A1EAS 16 
A1EAT C2   C23 C 0 1 Y N N N N N -56.590 14.376 -0.193  -3.395 -4.822 0.541  C2  A1EAS 17 
A1EAT C3   C24 C 0 1 Y N N N N N -56.259 15.506 0.624   -2.365 -3.898 0.378  C3  A1EAS 18 
A1EAT C4   C25 C 0 1 Y N N N N N -56.630 16.678 -0.046  -2.639 -2.533 0.421  C4  A1EAS 19 
A1EAT C5   C26 C 0 1 Y N N N N N -57.187 16.714 -1.351  -3.928 -2.094 0.619  C5  A1EAS 20 
A1EAT O    O8  O 0 1 N N N N N N -58.509 16.710 -3.794  -7.244 -3.357 1.150  O   A1EAS 21 
A1EAT C16  C4  C 0 1 N N N N N N -59.241 14.700 -5.344  -7.983 -0.766 1.266  CA  ETA   22 
A1EAT N2   N4  N 0 1 N N N N N N -58.508 14.577 -4.110  -6.610 -1.230 1.049  N   ETA   23 
A1EAT C23  C27 C 0 1 N N N N N N -59.054 13.539 -6.311  -8.009 0.764  1.270  C   ETA   24 
A1EAT O1M  O9  O 0 1 N N N N N N -57.678 13.441 -6.760  -7.645 1.250  -0.024 O   ETA   25 
A1EAT C1M  C28 C 0 1 N N S N N N -57.540 12.973 -8.099  -7.639 2.675  -0.128 C1  MAN   26 
A1EAT C2M  C33 C 0 1 N N S N N N -56.109 12.525 -8.332  -7.484 3.078  -1.597 C2  MAN   27 
A1EAT C3M  C32 C 0 1 N N S N N N -55.096 13.717 -8.262  -6.137 2.567  -2.120 C3  MAN   28 
A1EAT C4M  C31 C 0 1 N N S N N N -55.556 14.917 -9.106  -5.015 3.128  -1.241 C4  MAN   29 
A1EAT C5M  C29 C 0 1 N N R N N N -57.083 15.232 -8.982  -5.265 2.723  0.214  C5  MAN   30 
A1EAT C6M  C30 C 0 1 N N N N N N -57.610 16.290 -9.932  -4.181 3.330  1.106  C6  MAN   31 
A1EAT O2M  O14 O 0 1 N N N N N N -56.170 11.950 -9.643  -7.530 4.502  -1.709 O2  MAN   32 
A1EAT O3M  O13 O 0 1 N N N N N N -53.747 13.317 -8.620  -5.953 3.000  -3.469 O3  MAN   33 
A1EAT O4M  O12 O 0 1 N N N N N N -54.806 16.046 -8.653  -3.760 2.600  -1.675 O4  MAN   34 
A1EAT O5M  O10 O 0 1 N N N N N N -57.853 13.993 -9.121  -6.547 3.203  0.627  O5  MAN   35 
A1EAT O6M  O11 O 0 1 N N N N N N -57.664 15.734 -11.246 -4.346 2.859  2.445  O6  MAN   36 
A1EAT C25  C10 C 0 1 N N N N N N -53.245 7.244  7.312   7.982  -0.767 -1.268 CA  ETA   37 
A1EAT N3   N1  N 0 1 N N N N N N -53.369 8.499  6.578   6.609  -1.232 -1.049 N   ETA   38 
A1EAT C32  C11 C 0 1 N N N N N N -53.017 7.447  8.819   8.008  0.762  -1.272 C   ETA   39 
A1EAT O1M2 O2  O 0 0 N N N N N N -51.606 7.661  9.047   7.646  1.249  0.022  O   ETA   40 
A1EAT C1M2 C12 C 0 0 N N S N N N -51.313 8.002  10.407  7.639  2.674  0.126  C1  MAN   41 
A1EAT C2M2 C17 C 0 0 N N S N N N -49.866 8.410  10.507  7.487  3.078  1.595  C2  MAN   42 
A1EAT C3M2 C16 C 0 0 N N S N N N -48.963 7.208  10.233  6.141  2.567  2.119  C3  MAN   43 
A1EAT C4M2 C15 C 0 0 N N S N N N -49.396 5.982  11.061  5.017  3.128  1.243  C4  MAN   44 
A1EAT C5M2 C13 C 0 0 N N R N N N -50.910 5.714  11.022  5.265  2.722  -0.213 C5  MAN   45 
A1EAT C6M2 C14 C 0 0 N N N N N N -51.370 4.578  11.918  4.180  3.329  -1.104 C6  MAN   46 
A1EAT O2M2 O7  O 0 0 N N N N N N -49.689 8.888  11.826  7.533  4.502  1.706  O2  MAN   47 
A1EAT O3M2 O6  O 0 0 N N N N N N -47.570 7.542  10.415  5.958  3.002  3.468  O3  MAN   48 
A1EAT O4M2 O5  O 0 0 N N N N N N -48.783 4.852  10.480  3.763  2.602  1.679  O4  MAN   49 
A1EAT O5M2 O3  O 0 0 N N N N N N -51.599 6.920  11.330  6.546  3.202  -0.628 O5  MAN   50 
A1EAT O6M2 O4  O 0 0 N N N N N N -51.315 4.949  13.287  4.343  2.857  -2.442 O6  MAN   51 
A1EAT H1   H1  H 0 1 N N N N N N -52.878 13.344 5.155   3.179  -5.881 -0.502 H1  A1EAS 52 
A1EAT H4   H4  H 0 1 N N N N N N -56.671 12.152 3.612   1.837  -1.818 -0.301 H4  A1EAS 53 
A1EAT H5   H5  H 0 1 N N N N N N -56.459 9.950  4.622   4.137  -1.036 -0.661 H5  A1EAS 54 
A1EAT H6   H6  H 0 1 N N N N N N -52.785 11.220 6.402   5.482  -5.106 -0.868 H6  A1EAS 55 
A1EAT H23  H23 H 0 1 N N N N N N -54.232 15.894 4.846   1.293  -6.506 -0.215 H23 A1EAS 56 
A1EAT H24  H24 H 0 1 N N N N N N -55.151 17.396 2.712   -1.298 -6.506 0.202  H24 A1EAS 57 
A1EAT H25  H25 H 0 1 N N N N N N -55.939 13.207 1.894   0.000  -2.484 0.005  H25 A1EAS 58 
A1EAT H26  H26 H 0 1 N N N N N N -57.459 13.440 -1.954  -5.483 -5.105 0.872  H26 A1EAS 59 
A1EAT H27  H27 H 0 1 N N N N N N -56.343 13.407 0.215   -3.180 -5.880 0.508  H27 A1EAS 60 
A1EAT H28  H28 H 0 1 N N N N N N -56.482 17.618 0.465   -1.839 -1.818 0.294  H28 A1EAS 61 
A1EAT H29  H29 H 0 1 N N N N N N -57.404 17.675 -1.793  -4.141 -1.035 0.648  H29 A1EAS 62 
A1EAT H2   H2  H 0 1 N N N N N N -58.913 15.622 -5.847  -8.623 -1.138 0.467  HA1 ETA   63 
A1EAT H3   H3  H 0 1 N N N N N N -60.311 14.775 -5.101  -8.345 -1.138 2.225  HA2 ETA   64 
A1EAT H30  H30 H 0 1 N N N N N N -58.250 13.667 -3.784  -5.893 -0.587 0.936  H   ETA   65 
A1EAT H31  H31 H 0 1 N N N N N N -59.705 13.692 -7.184  -9.012 1.110  1.520  HB1 ETA   66 
A1EAT H32  H32 H 0 1 N N N N N N -59.333 12.603 -5.805  -7.301 1.138  2.010  HB2 ETA   67 
A1EAT H33  H33 H 0 1 N N N N N N -58.200 12.106 -8.253  -8.576 3.073  0.261  H1  MAN   68 
A1EAT H42  H42 H 0 1 N N N N N N -55.829 11.770 -7.583  -8.292 2.639  -2.182 H2  MAN   69 
A1EAT H40  H40 H 0 1 N N N N N N -55.081 14.052 -7.214  -6.121 1.478  -2.081 H3  MAN   70 
A1EAT H38  H38 H 0 1 N N N N N N -55.330 14.711 -10.163 -4.999 4.215  -1.319 H4  MAN   71 
A1EAT H34  H34 H 0 1 N N N N N N -57.241 15.609 -7.961  -5.239 1.637  0.298  H5  MAN   72 
A1EAT H35  H35 H 0 1 N N N N N N -56.939 17.162 -9.925  -3.199 3.036  0.736  H61 MAN   73 
A1EAT H36  H36 H 0 1 N N N N N N -58.618 16.601 -9.619  -4.264 4.417  1.091  H62 MAN   74 
A1EAT H43  H43 H 0 1 N N N N N N -56.793 11.233 -9.646  -8.356 4.894  -1.396 HO2 MAN   75 
A1EAT H41  H41 H 0 1 N N N N N N -53.484 12.576 -8.087  -6.633 2.685  -4.080 HO3 MAN   76 
A1EAT H39  H39 H 0 1 N N N N N N -53.877 15.860 -8.726  -3.536 2.819  -2.590 HO4 MAN   77 
A1EAT H37  H37 H 0 1 N N N N N N -57.993 16.386 -11.853 -3.691 3.204  3.067  HO6 MAN   78 
A1EAT H8   H8  H 0 1 N N N N N N -54.169 6.664  7.173   8.623  -1.139 -0.468 HA1 ETA   79 
A1EAT H9   H9  H 0 1 N N N N N N -52.394 6.681  6.902   8.343  -1.140 -2.226 HA2 ETA   80 
A1EAT H7   H7  H 0 1 N N N N N N -52.540 8.943  6.238   5.892  -0.589 -0.935 H   ETA   81 
A1EAT H10  H10 H 0 1 N N N N N N -53.585 8.323  9.165   9.011  1.108  -1.523 HB1 ETA   82 
A1EAT H11  H11 H 0 1 N N N N N N -53.350 6.554  9.368   7.299  1.136  -2.012 HB2 ETA   83 
A1EAT H12  H12 H 0 1 N N N N N N -51.925 8.871  10.691  8.576  3.072  -0.265 H1  MAN   84 
A1EAT H21  H21 H 0 1 N N N N N N -49.654 9.200  9.771   8.296  2.640  2.179  H2  MAN   85 
A1EAT H19  H19 H 0 1 N N N N N N -49.107 6.939  9.176   6.125  1.478  2.082  H3  MAN   86 
A1EAT H17  H17 H 0 1 N N N N N N -49.076 6.116  12.105  5.003  4.215  1.320  H4  MAN   87 
A1EAT H13  H13 H 0 1 N N N N N N -51.157 5.430  9.988   5.239  1.636  -0.296 H5  MAN   88 
A1EAT H14  H14 H 0 1 N N N N N N -52.406 4.314  11.659  3.198  3.036  -0.732 H61 MAN   89 
A1EAT H15  H15 H 0 1 N N N N N N -50.718 3.707  11.756  4.263  4.416  -1.089 H62 MAN   90 
A1EAT H22  H22 H 0 1 N N N N N N -50.259 9.633  11.972  8.357  4.894  1.387  HO2 MAN   91 
A1EAT H20  H20 H 0 1 N N N N N N -47.035 6.777  10.238  6.639  2.689  4.079  HO3 MAN   92 
A1EAT H18  H18 H 0 1 N N N N N N -49.028 4.073  10.966  3.543  2.817  2.596  HO4 MAN   93 
A1EAT H16  H16 H 0 1 N N N N N N -51.607 4.222  13.824  3.688  3.202  -3.064 HO6 MAN   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 
A1EAT O6M  C6M  SING N N 1  
A1EAT C6M  C5M  SING N N 2  
A1EAT O2M  C2M  SING N N 3  
A1EAT O5M  C5M  SING N N 4  
A1EAT O5M  C1M  SING N N 5  
A1EAT C4M  C5M  SING N N 6  
A1EAT C4M  O4M  SING N N 7  
A1EAT C4M  C3M  SING N N 8  
A1EAT O3M  C3M  SING N N 9  
A1EAT C2M  C3M  SING N N 10 
A1EAT C2M  C1M  SING N N 11 
A1EAT C1M  O1M  SING N N 12 
A1EAT O1M  C23  SING N N 13 
A1EAT C23  C16  SING N N 14 
A1EAT C16  N2   SING N N 15 
A1EAT N2   C15  SING N N 16 
A1EAT O    C15  DOUB N N 17 
A1EAT C15  C    SING N N 18 
A1EAT C    C1   DOUB Y N 19 
A1EAT C    C5   SING Y N 20 
A1EAT C1   C2   SING Y N 21 
A1EAT C5   C4   DOUB Y N 22 
A1EAT C2   C3   DOUB Y N 23 
A1EAT C4   C3   SING Y N 24 
A1EAT C3   NE2  SING N N 25 
A1EAT NE2  CE1  SING Y N 26 
A1EAT NE2  CD2  SING Y N 27 
A1EAT CE1  ND1  DOUB Y N 28 
A1EAT CD2  CG   DOUB Y N 29 
A1EAT ND1  CG   SING Y N 30 
A1EAT ND1  C9   SING N N 31 
A1EAT C10  C9   DOUB Y N 32 
A1EAT C10  C11  SING Y N 33 
A1EAT C9   C14  SING Y N 34 
A1EAT C11  C12  DOUB Y N 35 
A1EAT C14  C13  DOUB Y N 36 
A1EAT C12  C13  SING Y N 37 
A1EAT C12  C24  SING N N 38 
A1EAT C24  N3   SING N N 39 
A1EAT C24  O7   DOUB N N 40 
A1EAT N3   C25  SING N N 41 
A1EAT C25  C32  SING N N 42 
A1EAT C32  O1M2 SING N N 43 
A1EAT O1M2 C1M2 SING N N 44 
A1EAT C3M2 O3M2 SING N N 45 
A1EAT C3M2 C2M2 SING N N 46 
A1EAT C3M2 C4M2 SING N N 47 
A1EAT C1M2 C2M2 SING N N 48 
A1EAT C1M2 O5M2 SING N N 49 
A1EAT O4M2 C4M2 SING N N 50 
A1EAT C2M2 O2M2 SING N N 51 
A1EAT C5M2 C4M2 SING N N 52 
A1EAT C5M2 O5M2 SING N N 53 
A1EAT C5M2 C6M2 SING N N 54 
A1EAT C6M2 O6M2 SING N N 55 
A1EAT C14  H1   SING N N 56 
A1EAT C16  H2   SING N N 57 
A1EAT C16  H3   SING N N 58 
A1EAT C10  H4   SING N N 59 
A1EAT C11  H5   SING N N 60 
A1EAT C13  H6   SING N N 61 
A1EAT N3   H7   SING N N 62 
A1EAT C25  H8   SING N N 63 
A1EAT C25  H9   SING N N 64 
A1EAT C32  H10  SING N N 65 
A1EAT C32  H11  SING N N 66 
A1EAT C1M2 H12  SING N N 67 
A1EAT C5M2 H13  SING N N 68 
A1EAT C6M2 H14  SING N N 69 
A1EAT C6M2 H15  SING N N 70 
A1EAT O6M2 H16  SING N N 71 
A1EAT C4M2 H17  SING N N 72 
A1EAT O4M2 H18  SING N N 73 
A1EAT C3M2 H19  SING N N 74 
A1EAT O3M2 H20  SING N N 75 
A1EAT C2M2 H21  SING N N 76 
A1EAT O2M2 H22  SING N N 77 
A1EAT CG   H23  SING N N 78 
A1EAT CD2  H24  SING N N 79 
A1EAT CE1  H25  SING N N 80 
A1EAT C1   H26  SING N N 81 
A1EAT C2   H27  SING N N 82 
A1EAT C4   H28  SING N N 83 
A1EAT C5   H29  SING N N 84 
A1EAT N2   H30  SING N N 85 
A1EAT C23  H31  SING N N 86 
A1EAT C23  H32  SING N N 87 
A1EAT C1M  H33  SING N N 88 
A1EAT C5M  H34  SING N N 89 
A1EAT C6M  H35  SING N N 90 
A1EAT C6M  H36  SING N N 91 
A1EAT O6M  H37  SING N N 92 
A1EAT C4M  H38  SING N N 93 
A1EAT O4M  H39  SING N N 94 
A1EAT C3M  H40  SING N N 95 
A1EAT O3M  H41  SING N N 96 
A1EAT C2M  H42  SING N N 97 
A1EAT O2M  H43  SING N N 98 
# 
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 
A1EAT InChI            InChI                1.06  "InChI=1S/C33H42N4O14/c38-15-22-24(40)26(42)28(44)32(50-22)48-13-9-34-30(46)18-1-5-20(6-2-18)36-11-12-37(17-36)21-7-3-19(4-8-21)31(47)35-10-14-49-33-29(45)27(43)25(41)23(16-39)51-33/h1-8,11-12,17,22-29,32-33,38-45H,9-10,13-16H2,(H-,34,35,46,47)/p+1/t22-,23-,24-,25-,26+,27+,28+,29+,32+,33+/m1/s1" 
A1EAT InChIKey         InChI                1.06  YIHGTVGPQNMBCK-QIXJGXQISA-O                                                                                                                                                                                                                                                                              
A1EAT SMILES_CANONICAL CACTVS               3.385 "OC[C@H]1O[C@H](OCCNC(=O)c2ccc(cc2)n3cc[n+](c3)c4ccc(cc4)C(=O)NCCO[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)[C@@H](O)[C@@H](O)[C@@H]1O"                                                                                                                                                                  
A1EAT SMILES           CACTVS               3.385 "OC[CH]1O[CH](OCCNC(=O)c2ccc(cc2)n3cc[n+](c3)c4ccc(cc4)C(=O)NCCO[CH]5O[CH](CO)[CH](O)[CH](O)[CH]5O)[CH](O)[CH](O)[CH]1O"                                                                                                                                                                                 
A1EAT SMILES_CANONICAL "OpenEye OEToolkits" 2.0.7 "c1cc(ccc1C(=O)NCCO[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)n3cc[n+](c3)c4ccc(cc4)C(=O)NCCO[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O"                                                                                                                                                               
A1EAT SMILES           "OpenEye OEToolkits" 2.0.7 "c1cc(ccc1C(=O)NCCOC2C(C(C(C(O2)CO)O)O)O)n3cc[n+](c3)c4ccc(cc4)C(=O)NCCOC5C(C(C(C(O5)CO)O)O)O"                                                                                                                                                                                                           
# 
_pdbx_chem_comp_identifier.comp_id           A1EAT 
_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        "~{N}-[2-[(2~{S},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyethyl]-4-[3-[4-[2-[(2~{S},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyethylcarbamoyl]phenyl]imidazol-3-ium-1-yl]benzamide" 
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
A1EAT "Create component" 2024-08-19 PDBC 
A1EAT "Initial release"  2024-12-04 RCSB 
# 
