data_A1L6M
# 
_chem_comp.id                                    A1L6M 
_chem_comp.name                                  "3-[5-[(~{Z})-(3-ethyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[(~{Z})-[4-(hydroxymethyl)-3-(3-hydroxy-3-oxopropyl)-5-[(~{Z})-[3-methyl-5-oxidanylidene-4-[(1~{S},4~{E},8~{Z})-5,9,13-trimethyl-1-oxidanyl-tetradeca-4,8,12-trienyl]pyrrol-2-ylidene]methyl]pyrrol-2-ylidene]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid" 
_chem_comp.type                                  non-polymer 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C48 H62 N4 O8" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2024-12-04 
_chem_comp.pdbx_modified_date                    2025-04-18 
_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                        823.028 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     A1L6M 
_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        9KUE 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  PDBJ 
_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 
A1L6M C1  C1  C 0 1 N N N N N N 8.900  -68.401 33.191 0.237   -6.666 1.647  C1  A1L6M 1   
A1L6M C2  C2  C 0 1 N N N N N N 9.952  -67.675 32.382 -0.562  -5.390 1.371  C2  A1L6M 2   
A1L6M C3  C3  C 0 1 N N N N N N 11.241 -68.426 32.165 0.097   -4.615 0.260  C3  A1L6M 3   
A1L6M C4  C4  C 0 1 N N N N N N 12.053 -69.002 33.102 -0.222  -4.671 -1.057 C4  A1L6M 4   
A1L6M C5  C5  C 0 1 N N N N N N 11.931 -69.061 34.601 -1.304  -5.522 -1.670 C5  A1L6M 5   
A1L6M C6  C6  C 0 1 N N N N N N 13.175 -69.538 32.407 0.638   -3.789 -1.754 C6  A1L6M 6   
A1L6M O1  O1  O 0 1 N N N N N N 14.183 -70.204 32.842 0.629   -3.589 -2.956 O1  A1L6M 7   
A1L6M N1  N1  N 0 1 N N N N N N 13.047 -69.298 31.078 1.468   -3.207 -0.867 N1  A1L6M 8   
A1L6M C7  C7  C 0 1 N N N N N N 11.875 -68.602 30.870 1.161   -3.689 0.399  C7  A1L6M 9   
A1L6M C8  C8  C 0 1 N N N N N N 11.516 -68.236 29.567 1.784   -3.338 1.576  C8  A1L6M 10  
A1L6M C9  C9  C 0 1 Y N N N N N 12.190 -68.073 28.345 2.741   -2.299 1.586  C9  A1L6M 11  
A1L6M C10 C10 C 0 1 Y N N N N N 13.605 -67.846 28.050 3.682   -2.064 2.588  C10 A1L6M 12  
A1L6M C11 C11 C 0 1 N N N N N N 14.738 -67.645 29.001 3.858   -2.871 3.849  C11 A1L6M 13  
A1L6M C12 C12 C 0 1 Y N N N N N 13.771 -67.766 26.691 4.426   -0.960 2.218  C12 A1L6M 14  
A1L6M C13 C13 C 0 1 N N N N N N 15.076 -67.550 25.938 5.557   -0.345 3.001  C13 A1L6M 15  
A1L6M C14 C14 C 0 1 N N N N N N 15.738 -68.894 25.667 6.878   -0.996 2.586  C14 A1L6M 16  
A1L6M C15 C15 C 0 1 N N N N N N 17.095 -68.914 24.974 8.009   -0.381 3.369  C15 A1L6M 17  
A1L6M O2  O2  O 0 1 N N N N N N 17.820 -69.840 25.232 9.269   -0.800 3.169  O2  A1L6M 18  
A1L6M O3  O3  O 0 1 N N N N N N 17.417 -68.045 24.169 7.782   0.489  4.176  O3  A1L6M 19  
A1L6M C16 C16 C 0 1 Y N N N N N 12.463 -67.986 26.103 3.938   -0.516 0.984  C16 A1L6M 20  
A1L6M N2  N2  N 0 1 Y N N N N N 11.547 -68.118 27.140 2.908   -1.353 0.609  N2  A1L6M 21  
A1L6M C17 C17 C 0 1 N N N N N N 12.285 -67.954 24.726 4.413   0.579  0.258  C17 A1L6M 22  
A1L6M C18 C18 C 0 1 N N N N N N 11.260 -67.997 23.780 3.694   1.052  -0.850 C18 A1L6M 23  
A1L6M N3  N3  N 0 1 N N N N N N 9.894  -68.074 24.071 2.476   0.643  -1.227 N3  A1L6M 24  
A1L6M C19 C19 C 0 1 N N N N N N 9.242  -68.122 22.879 2.103   1.306  -2.318 C19 A1L6M 25  
A1L6M C20 C20 C 0 1 N N N N N N 7.841  -68.249 22.864 0.874   1.142  -3.006 C20 A1L6M 26  
A1L6M C21 C21 C 0 1 N N N N N N 6.843  -67.993 21.926 -0.111  0.339  -2.476 C21 A1L6M 27  
A1L6M N4  N4  N 0 1 N N N N N N 7.029  -67.298 20.763 -0.091  -0.268 -1.224 N4  A1L6M 28  
A1L6M C22 C22 C 0 1 N N N N N N 5.832  -67.173 20.128 -1.234  -0.964 -1.074 C22 A1L6M 29  
A1L6M O4  O4  O 0 1 N N N N N N 5.766  -66.552 19.010 -1.546  -1.617 -0.093 O4  A1L6M 30  
A1L6M C23 C23 C 0 1 N N N N N N 4.839  -67.822 20.855 -2.012  -0.812 -2.242 C23 A1L6M 31  
A1L6M C24 C24 C 0 1 N N S N N N 3.411  -67.812 20.363 -3.366  -1.426 -2.490 C24 A1L6M 32  
A1L6M O5  O5  O 0 1 N N N N N N 2.544  -68.704 21.086 -3.278  -2.845 -2.352 O5  A1L6M 33  
A1L6M C25 C25 C 0 1 N N N N N N 2.828  -66.408 20.483 -4.369  -0.875 -1.474 C25 A1L6M 34  
A1L6M C26 C26 C 0 1 N N N N N N 1.341  -66.263 20.110 -5.773  -1.373 -1.823 C26 A1L6M 35  
A1L6M C27 C27 C 0 1 N N N N N N 0.998  -66.685 18.704 -6.761  -0.831 -0.822 C27 A1L6M 36  
A1L6M C28 C28 C 0 1 N N N N N N -0.130 -67.214 18.185 -7.700  -0.005 -1.211 C28 A1L6M 37  
A1L6M C29 C29 C 0 1 N N N N N N -1.376 -67.562 18.980 -7.697  0.532  -2.619 C29 A1L6M 38  
A1L6M C30 C30 C 0 1 N N N N N N -0.277 -67.524 16.701 -8.785  0.410  -0.250 C30 A1L6M 39  
A1L6M C31 C31 C 0 1 N N N N N N 0.727  -67.091 15.626 -8.401  1.734  0.412  C31 A1L6M 40  
A1L6M C32 C32 C 0 1 N N N N N N 0.257  -67.544 14.255 -9.485  2.148  1.374  C32 A1L6M 41  
A1L6M C33 C33 C 0 1 N N N N N N -0.703 -67.031 13.467 -9.212  2.291  2.647  C33 A1L6M 42  
A1L6M C34 C34 C 0 1 N N N N N N -1.261 -67.717 12.240 -10.259 2.832  3.586  C34 A1L6M 43  
A1L6M C35 C35 C 0 1 N N N N N N -1.324 -65.684 13.770 -7.851  1.914  3.172  C35 A1L6M 44  
A1L6M C36 C36 C 0 1 N N N N N N -0.349 -64.553 13.431 -6.950  3.150  3.189  C36 A1L6M 45  
A1L6M C37 C37 C 0 1 N N N N N N -0.848 -63.175 13.799 -5.589  2.773  3.715  C37 A1L6M 46  
A1L6M C38 C38 C 0 1 N N N N N N -0.191 -62.010 13.895 -4.514  3.081  3.032  C38 A1L6M 47  
A1L6M C39 C39 C 0 1 N N N N N N 1.308  -61.835 13.730 -3.171  2.547  3.458  C39 A1L6M 48  
A1L6M C40 C40 C 0 1 N N N N N N -0.896 -60.690 14.157 -4.621  3.970  1.820  C40 A1L6M 49  
A1L6M C41 C41 C 0 1 N N N N N N 5.427  -68.338 21.993 -1.327  -0.015 -3.103 C41 A1L6M 50  
A1L6M C42 C42 C 0 1 N N N N N N 4.767  -69.183 23.055 -1.784  0.419  -4.472 C42 A1L6M 51  
A1L6M C43 C43 C 0 1 N N N N N N 10.193 -68.024 21.860 3.139   2.203  -2.676 C43 A1L6M 52  
A1L6M C44 C44 C 0 1 N N N N N N 9.947  -68.113 20.380 3.138   3.154  -3.845 C44 A1L6M 53  
A1L6M O6  O6  O 0 1 N N N N N N 9.773  -66.869 19.735 4.359   3.895  -3.857 O6  A1L6M 54  
A1L6M C45 C45 C 0 1 N N N N N N 11.471 -67.956 22.415 4.128   2.051  -1.759 C45 A1L6M 55  
A1L6M C46 C46 C 0 1 N N N N N N 12.825 -67.874 21.761 5.440   2.792  -1.720 C46 A1L6M 56  
A1L6M C47 C47 C 0 1 N N N N N N 13.659 -66.577 21.852 5.316   3.998  -0.786 C47 A1L6M 57  
A1L6M C48 C48 C 0 1 N N N N N N 13.117 -65.381 21.059 6.627   4.740  -0.747 C48 A1L6M 58  
A1L6M O7  O7  O 0 1 N N N N N N 12.148 -65.533 20.267 6.754   5.840  0.012  O7  A1L6M 59  
A1L6M O8  O8  O 0 1 N N N N N N 13.690 -64.293 21.158 7.565   4.345  -1.399 O8  A1L6M 60  
A1L6M H1  H1  H 0 1 N N N N N N 8.007  -67.766 33.287 -0.240  -7.226 2.451  H1  A1L6M 61  
A1L6M H2  H2  H 0 1 N N N N N N 8.630  -69.339 32.683 0.267   -7.278 0.746  H2  A1L6M 62  
A1L6M H3  H3  H 0 1 N N N N N N 9.298  -68.627 34.191 1.253   -6.401 1.941  H3  A1L6M 63  
A1L6M H4  H4  H 0 1 N N N N N N 10.191 -66.736 32.903 -1.578  -5.654 1.077  H4  A1L6M 64  
A1L6M H5  H5  H 0 1 N N N N N N 9.523  -67.448 31.395 -0.592  -4.778 2.273  H5  A1L6M 65  
A1L6M H6  H6  H 0 1 N N N N N N 12.785 -69.616 35.017 -2.258  -5.000 -1.604 H6  A1L6M 66  
A1L6M H7  H7  H 0 1 N N N N N N 11.924 -68.039 35.009 -1.066  -5.714 -2.716 H7  A1L6M 67  
A1L6M H8  H8  H 0 1 N N N N N N 10.995 -69.571 34.873 -1.370  -6.469 -1.133 H8  A1L6M 68  
A1L6M H9  H9  H 0 1 N N N N N N 10.460 -68.027 29.480 1.541   -3.856 2.492  H9  A1L6M 69  
A1L6M H11 H11 H 0 1 N N N N N N 14.826 -66.576 29.247 4.568   -3.677 3.668  H11 A1L6M 70  
A1L6M H12 H12 H 0 1 N N N N N N 14.551 -68.219 29.921 4.234   -2.226 4.643  H12 A1L6M 71  
A1L6M H13 H13 H 0 1 N N N N N N 15.673 -67.992 28.536 2.897   -3.292 4.147  H13 A1L6M 72  
A1L6M H14 H14 H 0 1 N N N N N N 15.749 -66.926 26.544 5.600   0.725  2.798  H14 A1L6M 73  
A1L6M H15 H15 H 0 1 N N N N N N 14.868 -67.045 24.983 5.392   -0.506 4.066  H15 A1L6M 74  
A1L6M H16 H16 H 0 1 N N N N N N 15.046 -69.476 25.040 6.835   -2.066 2.789  H16 A1L6M 75  
A1L6M H17 H17 H 0 1 N N N N N N 15.863 -69.395 26.638 7.043   -0.834 1.520  H17 A1L6M 76  
A1L6M H18 H18 H 0 1 N N N N N N 18.622 -69.765 24.728 9.961   -0.375 3.695  H18 A1L6M 77  
A1L6M H19 H19 H 0 1 N N N N N N 10.560 -68.230 27.021 2.387   -1.280 -0.205 H19 A1L6M 78  
A1L6M H20 H20 H 0 1 N N N N N N 13.241 -67.869 24.231 5.335   1.061  0.549  H20 A1L6M 79  
A1L6M H23 H23 H 0 1 N N N N N N 7.449  -68.634 23.794 0.710   1.648  -3.946 H23 A1L6M 80  
A1L6M H25 H25 H 0 1 N N N N N N 3.411  -68.091 19.299 -3.697  -1.179 -3.498 H25 A1L6M 81  
A1L6M H26 H26 H 0 1 N N N N N N 2.882  -69.590 21.029 -3.066  -3.141 -1.455 H26 A1L6M 82  
A1L6M H27 H27 H 0 1 N N N N N N 3.407  -65.745 19.823 -4.100  -1.219 -0.475 H27 A1L6M 83  
A1L6M H28 H28 H 0 1 N N N N N N 2.947  -66.082 21.527 -4.352  0.214  -1.500 H28 A1L6M 84  
A1L6M H29 H29 H 0 1 N N N N N N 1.060  -65.206 20.228 -6.042  -1.029 -2.822 H29 A1L6M 85  
A1L6M H30 H30 H 0 1 N N N N N N 0.752  -66.879 20.805 -5.790  -2.462 -1.797 H30 A1L6M 86  
A1L6M H31 H31 H 0 1 N N N N N N 1.793  -66.539 17.988 -6.695  -1.124 0.215  H31 A1L6M 87  
A1L6M H32 H32 H 0 1 N N N N N N -1.215 -67.319 20.041 -8.219  -0.165 -3.275 H32 A1L6M 88  
A1L6M H33 H33 H 0 1 N N N N N N -2.229 -66.983 18.597 -8.201  1.498  -2.641 H33 A1L6M 89  
A1L6M H34 H34 H 0 1 N N N N N N -1.587 -68.637 18.879 -6.668  0.650  -2.960 H34 A1L6M 90  
A1L6M H35 H35 H 0 1 N N N N N N -1.241 -67.087 16.400 -9.723  0.532  -0.791 H35 A1L6M 91  
A1L6M H36 H36 H 0 1 N N N N N N -0.333 -68.620 16.631 -8.904  -0.358 0.515  H36 A1L6M 92  
A1L6M H37 H37 H 0 1 N N N N N N 1.707  -67.542 15.841 -7.462  1.612  0.953  H37 A1L6M 93  
A1L6M H38 H38 H 0 1 N N N N N N 0.818  -65.995 15.635 -8.281  2.501  -0.353 H38 A1L6M 94  
A1L6M H39 H39 H 0 1 N N N N N N 0.770  -68.406 13.854 -10.487 2.328  1.013  H39 A1L6M 95  
A1L6M H40 H40 H 0 1 N N N N N N -0.755 -68.683 12.097 -10.177 3.918  3.634  H40 A1L6M 96  
A1L6M H41 H41 H 0 1 N N N N N N -2.340 -67.885 12.373 -11.249 2.557  3.223  H41 A1L6M 97  
A1L6M H42 H42 H 0 1 N N N N N N -1.094 -67.082 11.357 -10.107 2.412  4.580  H42 A1L6M 98  
A1L6M H43 H43 H 0 1 N N N N N N -1.577 -65.635 14.839 -7.948  1.521  4.185  H43 A1L6M 99  
A1L6M H44 H44 H 0 1 N N N N N N -2.239 -65.565 13.171 -7.411  1.152  2.528  H44 A1L6M 100 
A1L6M H45 H45 H 0 1 N N N N N N 0.592  -64.735 13.971 -6.852  3.543  2.177  H45 A1L6M 101 
A1L6M H46 H46 H 0 1 N N N N N N -0.160 -64.574 12.348 -7.390  3.911  3.833  H46 A1L6M 102 
A1L6M H47 H47 H 0 1 N N N N N N -1.904 -63.119 14.020 -5.499  2.248  4.655  H47 A1L6M 103 
A1L6M H48 H48 H 0 1 N N N N N N 1.570  -60.775 13.860 -2.987  1.592  2.967  H48 A1L6M 104 
A1L6M H49 H49 H 0 1 N N N N N N 1.833  -62.438 14.486 -2.392  3.256  3.177  H49 A1L6M 105 
A1L6M H50 H50 H 0 1 N N N N N N 1.607  -62.166 12.724 -3.162  2.408  4.540  H50 A1L6M 106 
A1L6M H51 H51 H 0 1 N N N N N N -1.976 -60.866 14.269 -5.654  4.296  1.698  H51 A1L6M 107 
A1L6M H52 H52 H 0 1 N N N N N N -0.500 -60.240 15.079 -3.979  4.841  1.951  H52 A1L6M 108 
A1L6M H53 H53 H 0 1 N N N N N N -0.722 -60.007 13.312 -4.308  3.417  0.935  H53 A1L6M 109 
A1L6M H54 H54 H 0 1 N N N N N N 5.503  -69.435 23.833 -1.026  1.058  -4.923 H54 A1L6M 110 
A1L6M H55 H55 H 0 1 N N N N N N 3.935  -68.622 23.505 -1.938  -0.460 -5.099 H55 A1L6M 111 
A1L6M H56 H56 H 0 1 N N N N N N 4.382  -70.108 22.601 -2.720  0.971  -4.385 H56 A1L6M 112 
A1L6M H57 H57 H 0 1 N N N N N N 9.039  -68.712 20.219 3.047   2.588  -4.773 H57 A1L6M 113 
A1L6M H58 H58 H 0 1 N N N N N N 10.808 -68.620 19.920 2.296   3.841  -3.755 H58 A1L6M 114 
A1L6M H59 H59 H 0 1 N N N N N N 9.623  -67.011 18.808 4.428   4.529  -4.585 H59 A1L6M 115 
A1L6M H60 H60 H 0 1 N N N N N N 12.671 -68.076 20.691 6.222   2.128  -1.353 H60 A1L6M 116 
A1L6M H61 H61 H 0 1 N N N N N N 13.437 -68.675 22.201 5.694   3.134  -2.723 H61 A1L6M 117 
A1L6M H62 H62 H 0 1 N N N N N N 14.670 -66.799 21.480 4.534   4.663  -1.153 H62 A1L6M 118 
A1L6M H63 H63 H 0 1 N N N N N N 13.714 -66.284 22.911 5.062   3.657  0.217  H63 A1L6M 119 
A1L6M H65 H65 H 0 1 N N N N N N 13.694 -69.579 30.369 2.159   -2.560 -1.076 H65 A1L6M 120 
A1L6M H10 H10 H 0 1 N N N N N N 7.902  -66.940 20.433 0.623   -0.201 -0.572 H10 A1L6M 121 
A1L6M H21 H21 H 0 1 N N N N N N 11.977 -64.715 19.815 7.614   6.281  0.004  H21 A1L6M 122 
# 
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 
A1L6M C34 C33 SING N N 1   
A1L6M C36 C35 SING N N 2   
A1L6M C36 C37 SING N N 3   
A1L6M C33 C35 SING N N 4   
A1L6M C33 C32 DOUB N Z 5   
A1L6M C39 C38 SING N N 6   
A1L6M C37 C38 DOUB N N 7   
A1L6M C38 C40 SING N N 8   
A1L6M C32 C31 SING N N 9   
A1L6M C31 C30 SING N N 10  
A1L6M C30 C28 SING N N 11  
A1L6M C28 C27 DOUB N E 12  
A1L6M C28 C29 SING N N 13  
A1L6M C27 C26 SING N N 14  
A1L6M O4  C22 DOUB N N 15  
A1L6M O6  C44 SING N N 16  
A1L6M C26 C25 SING N N 17  
A1L6M C22 N4  SING N N 18  
A1L6M C22 C23 SING N N 19  
A1L6M O7  C48 SING N N 20  
A1L6M C24 C25 SING N N 21  
A1L6M C24 C23 SING N N 22  
A1L6M C24 O5  SING N N 23  
A1L6M C44 C43 SING N N 24  
A1L6M N4  C21 SING N N 25  
A1L6M C23 C41 DOUB N N 26  
A1L6M C48 O8  DOUB N N 27  
A1L6M C48 C47 SING N N 28  
A1L6M C46 C47 SING N N 29  
A1L6M C46 C45 SING N N 30  
A1L6M C43 C45 DOUB N N 31  
A1L6M C43 C19 SING N N 32  
A1L6M C21 C41 SING N N 33  
A1L6M C21 C20 DOUB N Z 34  
A1L6M C41 C42 SING N N 35  
A1L6M C45 C18 SING N N 36  
A1L6M C20 C19 SING N N 37  
A1L6M C19 N3  DOUB N N 38  
A1L6M C18 N3  SING N N 39  
A1L6M C18 C17 DOUB N Z 40  
A1L6M O3  C15 DOUB N N 41  
A1L6M C17 C16 SING N N 42  
A1L6M C15 O2  SING N N 43  
A1L6M C15 C14 SING N N 44  
A1L6M C14 C13 SING N N 45  
A1L6M C13 C12 SING N N 46  
A1L6M C16 C12 DOUB Y N 47  
A1L6M C16 N2  SING Y N 48  
A1L6M C12 C10 SING Y N 49  
A1L6M N2  C9  SING Y N 50  
A1L6M C10 C9  DOUB Y N 51  
A1L6M C10 C11 SING N N 52  
A1L6M C9  C8  SING N N 53  
A1L6M C8  C7  DOUB N Z 54  
A1L6M C7  N1  SING N N 55  
A1L6M C7  C3  SING N N 56  
A1L6M N1  C6  SING N N 57  
A1L6M C3  C2  SING N N 58  
A1L6M C3  C4  DOUB N N 59  
A1L6M C2  C1  SING N N 60  
A1L6M C6  O1  DOUB N N 61  
A1L6M C6  C4  SING N N 62  
A1L6M C4  C5  SING N N 63  
A1L6M C1  H1  SING N N 64  
A1L6M C1  H2  SING N N 65  
A1L6M C1  H3  SING N N 66  
A1L6M C2  H4  SING N N 67  
A1L6M C2  H5  SING N N 68  
A1L6M C5  H6  SING N N 69  
A1L6M C5  H7  SING N N 70  
A1L6M C5  H8  SING N N 71  
A1L6M C8  H9  SING N N 72  
A1L6M C11 H11 SING N N 73  
A1L6M C11 H12 SING N N 74  
A1L6M C11 H13 SING N N 75  
A1L6M C13 H14 SING N N 76  
A1L6M C13 H15 SING N N 77  
A1L6M C14 H16 SING N N 78  
A1L6M C14 H17 SING N N 79  
A1L6M O2  H18 SING N N 80  
A1L6M N2  H19 SING N N 81  
A1L6M C17 H20 SING N N 82  
A1L6M C20 H23 SING N N 83  
A1L6M C24 H25 SING N N 84  
A1L6M O5  H26 SING N N 85  
A1L6M C25 H27 SING N N 86  
A1L6M C25 H28 SING N N 87  
A1L6M C26 H29 SING N N 88  
A1L6M C26 H30 SING N N 89  
A1L6M C27 H31 SING N N 90  
A1L6M C29 H32 SING N N 91  
A1L6M C29 H33 SING N N 92  
A1L6M C29 H34 SING N N 93  
A1L6M C30 H35 SING N N 94  
A1L6M C30 H36 SING N N 95  
A1L6M C31 H37 SING N N 96  
A1L6M C31 H38 SING N N 97  
A1L6M C32 H39 SING N N 98  
A1L6M C34 H40 SING N N 99  
A1L6M C34 H41 SING N N 100 
A1L6M C34 H42 SING N N 101 
A1L6M C35 H43 SING N N 102 
A1L6M C35 H44 SING N N 103 
A1L6M C36 H45 SING N N 104 
A1L6M C36 H46 SING N N 105 
A1L6M C37 H47 SING N N 106 
A1L6M C39 H48 SING N N 107 
A1L6M C39 H49 SING N N 108 
A1L6M C39 H50 SING N N 109 
A1L6M C40 H51 SING N N 110 
A1L6M C40 H52 SING N N 111 
A1L6M C40 H53 SING N N 112 
A1L6M C42 H54 SING N N 113 
A1L6M C42 H55 SING N N 114 
A1L6M C42 H56 SING N N 115 
A1L6M C44 H57 SING N N 116 
A1L6M C44 H58 SING N N 117 
A1L6M O6  H59 SING N N 118 
A1L6M C46 H60 SING N N 119 
A1L6M C46 H61 SING N N 120 
A1L6M C47 H62 SING N N 121 
A1L6M C47 H63 SING N N 122 
A1L6M N1  H65 SING N N 123 
A1L6M N4  H10 SING N N 124 
A1L6M O7  H21 SING N N 125 
# 
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 
A1L6M InChI            InChI                1.06  "InChI=1S/C48H62N4O8/c1-9-33-31(7)47(59)52-39(33)23-37-30(6)34(19-21-44(55)56)40(49-37)25-41-35(20-22-45(57)58)36(26-53)42(50-41)24-38-32(8)46(48(60)51-38)43(54)18-12-17-29(5)16-11-15-28(4)14-10-13-27(2)3/h13,15,17,23-25,43,49,53-54H,9-12,14,16,18-22,26H2,1-8H3,(H,51,60)(H,52,59)(H,55,56)(H,57,58)/b28-15-,29-17+,38-24-,39-23-,41-25-/t43-/m0/s1" 
A1L6M InChIKey         InChI                1.06  XIZXJTXQUCTMIQ-OYUVAKGFSA-N                                                                                                                                                                                                                                                                                                                                
A1L6M SMILES_CANONICAL CACTVS               3.385 "CCC/1=C(C)C(=O)NC/1=C/c2[nH]c(\C=C3/N=C(\C=C4/NC(=O)C(=C4C)[C@@H](O)CC\C=C(/C)CC/C=C(/C)CCC=C(C)C)C(=C3CCC(O)=O)CO)c(CCC(O)=O)c2C"                                                                                                                                                                                                                        
A1L6M SMILES           CACTVS               3.385 "CCC1=C(C)C(=O)NC1=Cc2[nH]c(C=C3N=C(C=C4NC(=O)C(=C4C)[CH](O)CCC=C(C)CCC=C(C)CCC=C(C)C)C(=C3CCC(O)=O)CO)c(CCC(O)=O)c2C"                                                                                                                                                                                                                                     
A1L6M SMILES_CANONICAL "OpenEye OEToolkits" 2.0.7 "CCC\1=C(C(=O)N/C1=C\c2c(c(c([nH]2)/C=C\3/C(=C(C(=N3)/C=C\4/C(=C(C(=O)N4)[C@H](CC/C=C(\C)/CC/C=C(/C)\CCC=C(C)C)O)C)CO)CCC(=O)O)CCC(=O)O)C)C"                                                                                                                                                                                                               
A1L6M SMILES           "OpenEye OEToolkits" 2.0.7 "CCC1=C(C(=O)NC1=Cc2c(c(c([nH]2)C=C3C(=C(C(=N3)C=C4C(=C(C(=O)N4)C(CCC=C(C)CCC=C(C)CCC=C(C)C)O)C)CO)CCC(=O)O)CCC(=O)O)C)C"                                                                                                                                                                                                                                  
# 
_pdbx_chem_comp_identifier.comp_id           A1L6M 
_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        "3-[5-[(~{Z})-(3-ethyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[(~{Z})-[4-(hydroxymethyl)-3-(3-hydroxy-3-oxopropyl)-5-[(~{Z})-[3-methyl-5-oxidanylidene-4-[(1~{S},4~{E},8~{Z})-5,9,13-trimethyl-1-oxidanyl-tetradeca-4,8,12-trienyl]pyrrol-2-ylidene]methyl]pyrrol-2-ylidene]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic 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 
A1L6M "Create component" 2024-12-04 PDBJ 
A1L6M "Initial release"  2025-04-23 RCSB 
# 
