data_A1D7Q
# 
_chem_comp.id                                    A1D7Q 
_chem_comp.name                                  "20-[[(2~{S})-1-oxidanyl-1,5-bis(oxidanylidene)-5-[2-[2-(2-oxidanylideneethoxy)ethoxy]ethylamino]pentan-2-yl]amino]-20-oxidanylidene-icosanoic acid" 
_chem_comp.type                                  non-polymer 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C31 H56 N2 O10" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2024-04-10 
_chem_comp.pdbx_modified_date                    2025-04-11 
_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                        616.784 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     A1D7Q 
_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        8YWF 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  PDBC 
_chem_comp.pdbx_pcm                              Y 
# 
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 
A1D7Q C39 C1  C 0 1 N N N N N N 120.336 130.366 86.315 -8.698  6.503  -1.710 C39 A1D7Q 1  
A1D7Q O40 O1  O 0 1 N N N N N N 121.589 130.284 86.392 -9.772  6.087  -2.077 O40 A1D7Q 2  
A1D7Q C41 C2  C 0 1 N N N N N N 119.452 130.268 87.563 -8.178  6.140  -0.343 C41 A1D7Q 3  
A1D7Q O42 O2  O 0 1 N N N N N N 120.163 130.647 88.708 -9.126  5.303  0.322  O42 A1D7Q 4  
A1D7Q C43 C3  C 0 1 N N N N N N 120.649 131.956 88.644 -8.727  4.900  1.633  C43 A1D7Q 5  
A1D7Q C44 C4  C 0 1 N N N N N N 120.785 132.543 90.041 -9.813  4.013  2.246  C44 A1D7Q 6  
A1D7Q O45 O3  O 0 1 N N N N N N 121.941 133.329 90.024 -9.920  2.802  1.495  O45 A1D7Q 7  
A1D7Q C46 C5  C 0 1 N N N N N N 122.800 133.204 91.121 -10.911 1.898  1.987  C46 A1D7Q 8  
A1D7Q C47 C6  C 0 1 N N N N N N 122.834 134.539 91.842 -10.937 0.644  1.110  C47 A1D7Q 9  
A1D7Q N48 N1  N 0 1 N N N N N N 121.614 135.266 91.605 -9.664  -0.069 1.240  N48 A1D7Q 10 
A1D7Q C49 C7  C 0 1 N N N N N N 120.391 134.852 92.263 -9.458  -1.211 0.554  C49 A1D7Q 11 
A1D7Q O50 O4  O 0 1 N N N N N N 120.415 133.915 92.986 -10.327 -1.648 -0.170 O50 A1D7Q 12 
A1D7Q C51 C8  C 0 1 N N N N N N 119.068 135.583 92.054 -8.148  -1.944 0.687  C51 A1D7Q 13 
A1D7Q C52 C9  C 0 1 N N N N N N 119.216 136.807 91.160 -8.175  -3.198 -0.189 C52 A1D7Q 14 
A1D7Q C53 C10 C 0 1 N N S N N N 119.972 137.895 91.915 -6.845  -3.943 -0.054 C53 A1D7Q 15 
A1D7Q C54 C11 C 0 1 N N N N N N 120.928 138.581 90.947 -6.915  -5.239 -0.819 C54 A1D7Q 16 
A1D7Q O55 O5  O 0 1 N N N N N N 120.519 139.474 90.163 -6.142  -5.450 -1.723 O55 A1D7Q 17 
A1D7Q O56 O6  O 0 1 N N N N N N 122.135 138.237 90.936 -7.837  -6.160 -0.496 O56 A1D7Q 18 
A1D7Q N57 N2  N 0 1 N N N N N N 119.001 138.826 92.453 -5.764  -3.114 -0.595 N57 A1D7Q 19 
A1D7Q C58 C12 C 0 1 N N N N N N 119.376 140.137 92.951 -4.500  -3.289 -0.162 C58 A1D7Q 20 
A1D7Q O59 O7  O 0 1 N N N N N N 120.494 140.523 92.939 -4.257  -4.131 0.676  O59 A1D7Q 21 
A1D7Q C60 C13 C 0 1 N N N N N N 118.278 141.045 93.487 -3.388  -2.437 -0.718 C60 A1D7Q 22 
A1D7Q C61 C14 C 0 1 N N N N N N 117.284 141.314 92.360 -2.064  -2.835 -0.064 C61 A1D7Q 23 
A1D7Q C62 C15 C 0 1 N N N N N N 117.620 142.647 91.707 -0.936  -1.970 -0.629 C62 A1D7Q 24 
A1D7Q C63 C16 C 0 1 N N N N N N 118.990 142.539 91.051 0.389   -2.368 0.026  C63 A1D7Q 25 
A1D7Q C64 C17 C 0 1 N N N N N N 119.132 143.589 89.960 1.517   -1.503 -0.539 C64 A1D7Q 26 
A1D7Q C65 C18 C 0 1 N N N N N N 119.107 144.977 90.596 2.842   -1.901 0.116  C65 A1D7Q 27 
A1D7Q C66 C19 C 0 1 N N N N N N 119.394 146.123 89.620 3.970   -1.037 -0.449 C66 A1D7Q 28 
A1D7Q C67 C20 C 0 1 N N N N N N 119.991 145.706 88.277 5.294   -1.435 0.205  C67 A1D7Q 29 
A1D7Q C68 C21 C 0 1 N N N N N N 119.770 146.841 87.284 6.423   -0.570 -0.360 C68 A1D7Q 30 
A1D7Q C69 C22 C 0 1 N N N N N N 118.381 146.693 86.674 7.747   -0.968 0.295  C69 A1D7Q 31 
A1D7Q C70 C23 C 0 1 N N N N N N 118.391 145.633 85.575 8.876   -0.103 -0.270 C70 A1D7Q 32 
A1D7Q C71 C24 C 0 1 N N N N N N 117.011 144.988 85.538 10.200  -0.501 0.384  C71 A1D7Q 33 
A1D7Q C72 C25 C 0 1 N N N N N N 116.939 143.930 86.637 11.329  0.364  -0.181 C72 A1D7Q 34 
A1D7Q C73 C26 C 0 1 N N N N N N 115.518 143.828 87.179 12.653  -0.034 0.474  C73 A1D7Q 35 
A1D7Q C74 C27 C 0 1 N N N N N N 115.567 143.641 88.694 13.781  0.831  -0.091 C74 A1D7Q 36 
A1D7Q C75 C28 C 0 1 N N N N N N 115.906 144.946 89.409 15.106  0.432  0.563  C75 A1D7Q 37 
A1D7Q C76 C29 C 0 1 N N N N N N 114.760 145.937 89.247 16.234  1.297  -0.002 C76 A1D7Q 38 
A1D7Q C77 C30 C 0 1 N N N N N N 115.226 147.125 88.413 17.559  0.899  0.653  C77 A1D7Q 39 
A1D7Q C78 C31 C 0 1 N N N N N N 116.272 147.937 89.176 18.670  1.751  0.097  C78 A1D7Q 40 
A1D7Q O79 O8  O 0 1 N N N N N N 116.419 147.790 90.417 19.929  1.577  0.528  O79 A1D7Q 41 
A1D7Q O80 O9  O 0 1 N N N N N N 117.001 148.753 88.556 18.428  2.591  -0.738 O80 A1D7Q 42 
A1D7Q O1  O10 O 0 1 N Y N N N N 119.874 130.508 85.349 -7.967  7.282  -2.522 O1  A1D7Q 43 
A1D7Q H4  H2  H 0 1 N N N N N N 118.583 130.932 87.442 -7.232  5.607  -0.444 H4  A1D7Q 44 
A1D7Q H5  H3  H 0 1 N N N N N N 119.107 129.230 87.680 -8.023  7.048  0.240  H5  A1D7Q 45 
A1D7Q H6  H4  H 0 1 N N N N N N 121.634 131.953 88.155 -7.793  4.342  1.573  H6  A1D7Q 46 
A1D7Q H7  H5  H 0 1 N N N N N N 119.951 132.573 88.059 -8.584  5.782  2.257  H7  A1D7Q 47 
A1D7Q H8  H6  H 0 1 N N N N N N 119.907 133.161 90.282 -9.550  3.778  3.278  H8  A1D7Q 48 
A1D7Q H9  H7  H 0 1 N N N N N N 120.882 131.738 90.785 -10.767 4.539  2.225  H9  A1D7Q 49 
A1D7Q H11 H8  H 0 1 N N N N N N 122.428 132.422 91.800 -10.671 1.620  3.013  H11 A1D7Q 50 
A1D7Q H10 H9  H 0 1 N N N N N N 123.811 132.940 90.776 -11.888 2.381  1.960  H10 A1D7Q 51 
A1D7Q H13 H10 H 0 1 N N N N N N 122.949 134.365 92.922 -11.752 -0.006 1.431  H13 A1D7Q 52 
A1D7Q H12 H11 H 0 1 N N N N N N 123.686 135.129 91.473 -11.089 0.931  0.070  H12 A1D7Q 53 
A1D7Q H14 H12 H 0 1 N N N N N N 121.611 136.054 90.989 -8.969  0.281  1.819  H14 A1D7Q 54 
A1D7Q H15 H13 H 0 1 N N N N N N 118.684 135.905 93.033 -7.334  -1.294 0.367  H15 A1D7Q 55 
A1D7Q H16 H14 H 0 1 N N N N N N 118.351 134.890 91.589 -7.997  -2.231 1.728  H16 A1D7Q 56 
A1D7Q H18 H15 H 0 1 N N N N N N 118.220 137.179 90.879 -8.989  -3.848 0.131  H18 A1D7Q 57 
A1D7Q H17 H16 H 0 1 N N N N N N 119.775 136.534 90.253 -8.326  -2.911 -1.230 H17 A1D7Q 58 
A1D7Q H19 H17 H 0 1 N N N N N N 120.550 137.435 92.730 -6.651  -4.151 0.998  H19 A1D7Q 59 
A1D7Q H2  H18 H 0 1 N N N N N N 122.603 138.743 90.283 -7.843  -6.976 -1.015 H2  A1D7Q 60 
A1D7Q H21 H19 H 0 1 N N N N N N 118.039 138.556 92.482 -5.959  -2.440 -1.265 H21 A1D7Q 61 
A1D7Q H23 H20 H 0 1 N N N N N N 118.715 141.994 93.831 -3.321  -2.587 -1.796 H23 A1D7Q 62 
A1D7Q H22 H21 H 0 1 N N N N N N 117.765 140.552 94.326 -3.596  -1.387 -0.510 H22 A1D7Q 63 
A1D7Q H25 H22 H 0 1 N N N N N N 116.264 141.351 92.770 -2.132  -2.685 1.014  H25 A1D7Q 64 
A1D7Q H24 H23 H 0 1 N N N N N N 117.349 140.510 91.612 -1.857  -3.885 -0.272 H24 A1D7Q 65 
A1D7Q H27 H24 H 0 1 N N N N N N 117.637 143.439 92.470 -0.868  -2.120 -1.706 H27 A1D7Q 66 
A1D7Q H26 H25 H 0 1 N N N N N N 116.863 142.887 90.946 -1.143  -0.921 -0.420 H26 A1D7Q 67 
A1D7Q H29 H26 H 0 1 N N N N N N 119.104 141.538 90.609 0.321   -2.219 1.103  H29 A1D7Q 68 
A1D7Q H28 H27 H 0 1 N N N N N N 119.770 142.696 91.810 0.596   -3.418 -0.183 H28 A1D7Q 69 
A1D7Q H30 H28 H 0 1 N N N N N N 118.299 143.495 89.248 1.585   -1.653 -1.617 H30 A1D7Q 70 
A1D7Q H31 H29 H 0 1 N N N N N N 120.085 143.444 89.431 1.310   -0.454 -0.331 H31 A1D7Q 71 
A1D7Q H32 H30 H 0 1 N N N N N N 119.865 145.005 91.392 2.774   -1.752 1.193  H32 A1D7Q 72 
A1D7Q H33 H31 H 0 1 N N N N N N 118.110 145.138 91.033 3.049   -2.951 -0.093 H33 A1D7Q 73 
A1D7Q H34 H32 H 0 1 N N N N N N 120.100 146.813 90.105 4.038   -1.186 -1.527 H34 A1D7Q 74 
A1D7Q H35 H33 H 0 1 N N N N N N 118.447 146.646 89.423 3.763   0.013  -0.241 H35 A1D7Q 75 
A1D7Q H37 H34 H 0 1 N N N N N N 119.494 144.793 87.916 5.227   -1.285 1.283  H37 A1D7Q 76 
A1D7Q H36 H35 H 0 1 N N N N N N 121.068 145.516 88.391 5.502   -2.484 -0.004 H36 A1D7Q 77 
A1D7Q H39 H36 H 0 1 N N N N N N 120.530 146.792 86.490 6.491   -0.720 -1.438 H39 A1D7Q 78 
A1D7Q H38 H37 H 0 1 N N N N N N 119.845 147.808 87.804 6.216   0.480  -0.151 H38 A1D7Q 79 
A1D7Q H40 H38 H 0 1 N N N N N N 118.069 147.657 86.245 7.679   -0.818 1.372  H40 A1D7Q 80 
A1D7Q H41 H39 H 0 1 N N N N N N 117.671 146.394 87.459 7.955   -2.017 0.086  H41 A1D7Q 81 
A1D7Q H43 H40 H 0 1 N N N N N N 119.154 144.872 85.796 8.944   -0.253 -1.348 H43 A1D7Q 82 
A1D7Q H42 H41 H 0 1 N N N N N N 118.611 146.102 84.605 8.668   0.947  -0.062 H42 A1D7Q 83 
A1D7Q H45 H42 H 0 1 N N N N N N 116.239 145.753 85.709 10.132  -0.352 1.462  H45 A1D7Q 84 
A1D7Q H44 H43 H 0 1 N N N N N N 116.849 144.516 84.558 10.408  -1.551 0.176  H44 A1D7Q 85 
A1D7Q H47 H44 H 0 1 N N N N N N 117.241 142.956 86.224 11.396  0.214  -1.258 H47 A1D7Q 86 
A1D7Q H46 H45 H 0 1 N N N N N N 117.620 144.209 87.454 11.121  1.413  0.028  H46 A1D7Q 87 
A1D7Q H49 H46 H 0 1 N N N N N N 114.967 144.750 86.940 12.585  0.115  1.551  H49 A1D7Q 88 
A1D7Q H48 H47 H 0 1 N N N N N N 115.010 142.967 86.719 12.860  -1.084 0.265  H48 A1D7Q 89 
A1D7Q H51 H48 H 0 1 N N N N N N 114.585 143.287 89.042 13.849  0.681  -1.169 H51 A1D7Q 90 
A1D7Q H50 H49 H 0 1 N N N N N N 116.334 142.891 88.937 13.574  1.880  0.117  H50 A1D7Q 91 
A1D7Q H53 H50 H 0 1 N N N N N N 116.067 144.745 90.479 15.038  0.582  1.641  H53 A1D7Q 92 
A1D7Q H52 H51 H 0 1 N N N N N N 116.822 145.373 88.975 15.313  -0.617 0.355  H52 A1D7Q 93 
A1D7Q H55 H52 H 0 1 N N N N N N 114.438 146.289 90.238 16.302  1.148  -1.079 H55 A1D7Q 94 
A1D7Q H54 H53 H 0 1 N N N N N N 113.917 145.443 88.742 16.027  2.347  0.207  H54 A1D7Q 95 
A1D7Q H56 H54 H 0 1 N N N N N N 114.363 147.768 88.186 17.491  1.049  1.731  H56 A1D7Q 96 
A1D7Q H57 H55 H 0 1 N N N N N N 115.667 146.758 87.474 17.766  -0.150 0.444  H57 A1D7Q 97 
A1D7Q H3  H56 H 0 1 N N N N N N 117.113 148.362 90.724 20.608  2.147  0.142  H3  A1D7Q 98 
A1D7Q H1  H1  H 0 1 N Y N N N N 120.546 130.549 84.679 -8.341  7.485  -3.390 H1  A1D7Q 99 
# 
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 
A1D7Q C71 C70 SING N N 1  
A1D7Q C71 C72 SING N N 2  
A1D7Q C70 C69 SING N N 3  
A1D7Q C39 O40 DOUB N N 4  
A1D7Q C39 C41 SING N N 5  
A1D7Q C72 C73 SING N N 6  
A1D7Q C69 C68 SING N N 7  
A1D7Q C73 C74 SING N N 8  
A1D7Q C68 C67 SING N N 9  
A1D7Q C41 O42 SING N N 10 
A1D7Q C67 C66 SING N N 11 
A1D7Q C77 C78 SING N N 12 
A1D7Q C77 C76 SING N N 13 
A1D7Q O80 C78 DOUB N N 14 
A1D7Q C43 O42 SING N N 15 
A1D7Q C43 C44 SING N N 16 
A1D7Q C74 C75 SING N N 17 
A1D7Q C78 O79 SING N N 18 
A1D7Q C76 C75 SING N N 19 
A1D7Q C66 C65 SING N N 20 
A1D7Q C64 C65 SING N N 21 
A1D7Q C64 C63 SING N N 22 
A1D7Q O45 C44 SING N N 23 
A1D7Q O45 C46 SING N N 24 
A1D7Q O55 C54 DOUB N N 25 
A1D7Q O56 C54 SING N N 26 
A1D7Q C54 C53 SING N N 27 
A1D7Q C63 C62 SING N N 28 
A1D7Q C46 C47 SING N N 29 
A1D7Q C52 C53 SING N N 30 
A1D7Q C52 C51 SING N N 31 
A1D7Q N48 C47 SING N N 32 
A1D7Q N48 C49 SING N N 33 
A1D7Q C62 C61 SING N N 34 
A1D7Q C53 N57 SING N N 35 
A1D7Q C51 C49 SING N N 36 
A1D7Q C49 O50 DOUB N N 37 
A1D7Q C61 C60 SING N N 38 
A1D7Q N57 C58 SING N N 39 
A1D7Q O59 C58 DOUB N N 40 
A1D7Q C58 C60 SING N N 41 
A1D7Q C39 O1  SING N N 42 
A1D7Q C41 H4  SING N N 43 
A1D7Q C41 H5  SING N N 44 
A1D7Q C43 H6  SING N N 45 
A1D7Q C43 H7  SING N N 46 
A1D7Q C44 H8  SING N N 47 
A1D7Q C44 H9  SING N N 48 
A1D7Q C46 H11 SING N N 49 
A1D7Q C46 H10 SING N N 50 
A1D7Q C47 H13 SING N N 51 
A1D7Q C47 H12 SING N N 52 
A1D7Q N48 H14 SING N N 53 
A1D7Q C51 H15 SING N N 54 
A1D7Q C51 H16 SING N N 55 
A1D7Q C52 H18 SING N N 56 
A1D7Q C52 H17 SING N N 57 
A1D7Q C53 H19 SING N N 58 
A1D7Q O56 H2  SING N N 59 
A1D7Q N57 H21 SING N N 60 
A1D7Q C60 H23 SING N N 61 
A1D7Q C60 H22 SING N N 62 
A1D7Q C61 H25 SING N N 63 
A1D7Q C61 H24 SING N N 64 
A1D7Q C62 H27 SING N N 65 
A1D7Q C62 H26 SING N N 66 
A1D7Q C63 H29 SING N N 67 
A1D7Q C63 H28 SING N N 68 
A1D7Q C64 H30 SING N N 69 
A1D7Q C64 H31 SING N N 70 
A1D7Q C65 H32 SING N N 71 
A1D7Q C65 H33 SING N N 72 
A1D7Q C66 H34 SING N N 73 
A1D7Q C66 H35 SING N N 74 
A1D7Q C67 H37 SING N N 75 
A1D7Q C67 H36 SING N N 76 
A1D7Q C68 H39 SING N N 77 
A1D7Q C68 H38 SING N N 78 
A1D7Q C69 H40 SING N N 79 
A1D7Q C69 H41 SING N N 80 
A1D7Q C70 H43 SING N N 81 
A1D7Q C70 H42 SING N N 82 
A1D7Q C71 H45 SING N N 83 
A1D7Q C71 H44 SING N N 84 
A1D7Q C72 H47 SING N N 85 
A1D7Q C72 H46 SING N N 86 
A1D7Q C73 H49 SING N N 87 
A1D7Q C73 H48 SING N N 88 
A1D7Q C74 H51 SING N N 89 
A1D7Q C74 H50 SING N N 90 
A1D7Q C75 H53 SING N N 91 
A1D7Q C75 H52 SING N N 92 
A1D7Q C76 H55 SING N N 93 
A1D7Q C76 H54 SING N N 94 
A1D7Q C77 H56 SING N N 95 
A1D7Q C77 H57 SING N N 96 
A1D7Q O79 H3  SING N N 97 
A1D7Q O1  H1  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 
A1D7Q InChI            InChI                1.06  "InChI=1S/C31H56N2O10/c34-27(32-21-22-42-23-24-43-25-30(38)39)20-19-26(31(40)41)33-28(35)17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-29(36)37/h26H,1-25H2,(H,32,34)(H,33,35)(H,36,37)(H,38,39)(H,40,41)/t26-/m0/s1" 
A1D7Q InChIKey         InChI                1.06  MOHNQANMYICFPX-SANMLTNESA-N                                                                                                                                                                                          
A1D7Q SMILES_CANONICAL CACTVS               3.385 "OC(=O)CCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCOCCOCC(O)=O)C(O)=O"                                                                                                                                                  
A1D7Q SMILES           CACTVS               3.385 "OC(=O)CCCCCCCCCCCCCCCCCCC(=O)N[CH](CCC(=O)NCCOCCOCC(O)=O)C(O)=O"                                                                                                                                                    
A1D7Q SMILES_CANONICAL "OpenEye OEToolkits" 2.0.7 "C(CCCCCCCCCC(=O)O)CCCCCCCCC(=O)N[C@@H](CCC(=O)NCCOCCOCC(=O)O)C(=O)O"                                                                                                                                                
A1D7Q SMILES           "OpenEye OEToolkits" 2.0.7 "C(CCCCCCCCCC(=O)O)CCCCCCCCC(=O)NC(CCC(=O)NCCOCCOCC(=O)O)C(=O)O"                                                                                                                                                     
# 
_pdbx_chem_comp_identifier.comp_id           A1D7Q 
_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-hydroxy-2-oxoethyloxy)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 
A1D7Q "Create component"         2024-04-10 PDBC 
A1D7Q "Modify leaving atom flag" 2024-04-29 PDBC 
A1D7Q "Modify coordinates"       2025-04-02 PDBC 
A1D7Q "Modify PCM"               2025-04-03 PDBC 
A1D7Q "Initial release"          2025-04-16 RCSB 
# 
_pdbx_chem_comp_pcm.pcm_id                             1 
_pdbx_chem_comp_pcm.comp_id                            A1D7Q 
_pdbx_chem_comp_pcm.modified_residue_id                LYS 
_pdbx_chem_comp_pcm.type                               None 
_pdbx_chem_comp_pcm.category                           "Covalent chemical modification" 
_pdbx_chem_comp_pcm.position                           "Amino-acid side chain" 
_pdbx_chem_comp_pcm.polypeptide_position               "Any position" 
_pdbx_chem_comp_pcm.comp_id_linking_atom               C39 
_pdbx_chem_comp_pcm.modified_residue_id_linking_atom   NZ 
_pdbx_chem_comp_pcm.uniprot_specific_ptm_accession     ? 
_pdbx_chem_comp_pcm.uniprot_generic_ptm_accession      ? 
# 
