data_A1MBA
# 
_chem_comp.id                                    A1MBA 
_chem_comp.name                                  Phytoene 
_chem_comp.type                                  non-polymer 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C40 H64" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         "(6~{E},10~{E},14~{Z},16~{Z},18~{E},22~{E},26~{E})-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,14,16,18,22,26,30-nonaene" 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2025-07-29 
_chem_comp.pdbx_modified_date                    2025-10-17 
_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                        544.936 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     A1MBA 
_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        9W1C 
_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 
A1MBA C1   C1  C 0 1 N N N N N N 126.852 119.185 139.863 13.996  -0.364 0.010  C1   A1MBA 1   
A1MBA C5   C2  C 0 1 N N N N N N 124.143 119.033 135.077 8.748   1.153  -1.838 C5   A1MBA 2   
A1MBA C4   C3  C 0 1 N N N N N N 125.825 118.682 137.592 11.726  0.113  -0.752 C4   A1MBA 3   
A1MBA C3   C4  C 0 1 N N N N N N 126.043 118.504 139.066 13.214  0.352  -0.760 C3   A1MBA 4   
A1MBA C2   C5  C 0 1 N N N N N N 127.721 120.304 139.372 15.459  -0.020 0.126  C2   A1MBA 5   
A1MBA C6   C6  C 0 1 N N N N N N 126.975 118.897 141.330 13.432  -1.528 0.783  C6   A1MBA 6   
A1MBA C8   C7  C 0 1 N N N N N N 124.913 117.583 137.022 10.998  1.443  -0.547 C8   A1MBA 7   
A1MBA C9   C8  C 0 1 N N N N N N 124.649 117.695 135.539 9.510   1.205  -0.538 C9   A1MBA 8   
A1MBA C10  C9  C 0 1 N N N N N N 124.856 116.664 134.727 8.879   1.043  0.598  C10  A1MBA 9   
A1MBA C11  C10 C 0 1 N N N N N N 124.599 116.587 133.251 7.413   0.691  0.603  C11  A1MBA 10  
A1MBA C12  C11 C 0 1 N N N N N N 125.873 116.229 132.465 7.205   -0.618 1.366  C12  A1MBA 11  
A1MBA C13  C12 C 0 1 N N N N N N 125.622 115.800 131.038 5.740   -0.970 1.371  C13  A1MBA 12  
A1MBA C14  C13 C 0 1 N N N N N N 126.516 115.075 130.374 5.259   -1.786 0.466  C14  A1MBA 13  
A1MBA C15  C14 C 0 1 N N N N N N 126.431 114.586 128.958 3.775   -2.033 0.386  C15  A1MBA 14  
A1MBA C16  C15 C 0 1 N N N N N N 127.746 113.931 128.496 3.277   -1.704 -1.023 C16  A1MBA 15  
A1MBA C17  C16 C 0 1 N N N N N N 127.737 113.443 127.065 1.793   -1.952 -1.102 C17  A1MBA 16  
A1MBA C18  C17 C 0 1 N N N N N N 128.731 112.728 126.517 0.938   -0.947 -0.910 C18  A1MBA 17  
A1MBA C19  C18 C 0 1 N N N N N N 129.934 112.283 127.161 1.442   0.398  -0.622 C19  A1MBA 18  
A1MBA C20  C19 C 0 1 N N N N N N 130.955 111.630 126.539 0.578   1.415  -0.428 C20  A1MBA 19  
A1MBA C21  C20 C 0 1 N N N N N N 130.991 111.296 125.139 -0.865  1.175  -0.505 C21  A1MBA 20  
A1MBA C22  C21 C 0 1 N N N N N N 131.986 110.662 124.498 -1.719  2.180  -0.313 C22  A1MBA 21  
A1MBA C23  C22 C 0 1 N N N N N N 131.937 110.357 123.020 -3.204  1.932  -0.392 C23  A1MBA 22  
A1MBA C24  C23 C 0 1 N N N N N N 133.205 110.818 122.280 -3.754  1.679  1.013  C24  A1MBA 23  
A1MBA C25  C24 C 0 1 N N N N N N 133.087 110.640 120.795 -5.239  1.431  0.933  C25  A1MBA 24  
A1MBA C26  C25 C 0 1 N N N N N N 133.992 110.934 119.868 -5.739  0.303  1.372  C26  A1MBA 25  
A1MBA C27  C26 C 0 1 N N N N N N 133.700 110.735 118.399 -7.223  0.055  1.293  C27  A1MBA 26  
A1MBA C28  C27 C 0 1 N N N N N N 134.737 109.869 117.662 -7.543  -0.722 0.014  C28  A1MBA 27  
A1MBA C29  C28 C 0 1 N N N N N N 134.648 110.051 116.175 -9.028  -0.970 -0.065 C29  A1MBA 28  
A1MBA C30  C29 C 0 1 N N N N N N 135.644 110.061 115.296 -9.713  -0.521 -1.088 C30  A1MBA 29  
A1MBA C31  C30 C 0 1 N N N N N N 135.385 110.273 113.825 -11.170 -0.877 -1.233 C31  A1MBA 30  
A1MBA C32  C31 C 0 1 N N N N N N 135.388 108.986 112.986 -12.030 0.237  -0.634 C32  A1MBA 31  
A1MBA C33  C32 C 0 1 N N N N N N 135.623 109.276 111.533 -13.487 -0.119 -0.779 C33  A1MBA 32  
A1MBA C34  C33 C 0 1 N N N N N N 134.968 108.799 110.484 -14.238 -0.254 0.285  C34  A1MBA 33  
A1MBA C35  C34 C 0 1 N N N N N N 135.311 109.181 109.075 -15.709 -0.545 0.138  C35  A1MBA 34  
A1MBA C37  C35 C 0 1 N N N N N N 124.315 116.257 130.451 4.827   -0.383 2.417  C37  A1MBA 35  
A1MBA C38  C36 C 0 1 N N N N N N 126.519 113.811 126.264 1.274   -3.335 -1.398 C38  A1MBA 36  
A1MBA C39  C37 C 0 1 N N N N N N 133.233 110.205 125.203 -1.201  3.563  -0.017 C39  A1MBA 37  
A1MBA C40  C38 C 0 1 N N N N N N 135.356 111.482 120.183 -4.830  -0.748 1.956  C40  A1MBA 38  
A1MBA C41  C39 C 0 1 N N N N N N 137.087 109.870 115.669 -9.044  0.352  -2.118 C41  A1MBA 39  
A1MBA C42  C40 C 0 1 N N N N N N 133.827 107.833 110.607 -13.631 -0.117 1.658  C42  A1MBA 40  
A1MBA H1   H1  H 0 1 N N N N N N 124.058 119.711 135.939 9.444   1.243  -2.671 H1   A1MBA 41  
A1MBA H2   H2  H 0 1 N N N N N N 124.845 119.457 134.344 8.215   0.205  -1.909 H2   A1MBA 42  
A1MBA H3   H3  H 0 1 N N N N N N 123.155 118.910 134.609 8.033   1.975  -1.872 H3   A1MBA 43  
A1MBA H4   H4  H 0 1 N N N N N N 126.797 118.642 137.079 11.423  -0.324 -1.703 H4   A1MBA 44  
A1MBA H5   H5  H 0 1 N N N N N N 125.358 119.662 137.415 11.472  -0.569 0.060  H5   A1MBA 45  
A1MBA H6   H6  H 0 1 N N N N N N 125.467 117.721 139.537 13.636  1.113  -1.400 H6   A1MBA 46  
A1MBA H7   H7  H 0 1 N N N N N N 128.301 120.715 140.212 16.021  -0.562 -0.634 H7   A1MBA 47  
A1MBA H9   H8  H 0 1 N N N N N N 128.409 119.923 138.603 15.592  1.052  -0.019 H9   A1MBA 48  
A1MBA H8   H9  H 0 1 N N N N N N 127.091 121.095 138.940 15.821  -0.300 1.115  H8   A1MBA 49  
A1MBA H10  H10 H 0 1 N N N N N N 127.703 119.588 141.780 12.361  -1.602 0.598  H10  A1MBA 50  
A1MBA H11  H11 H 0 1 N N N N N N 125.996 119.031 141.813 13.922  -2.448 0.464  H11  A1MBA 51  
A1MBA H12  H12 H 0 1 N N N N N N 127.316 117.861 141.473 13.607  -1.375 1.848  H12  A1MBA 52  
A1MBA H14  H13 H 0 1 N N N N N N 123.948 117.631 137.547 11.301  1.881  0.405  H14  A1MBA 53  
A1MBA H13  H14 H 0 1 N N N N N N 125.387 116.609 137.214 11.252  2.126  -1.358 H13  A1MBA 54  
A1MBA H16  H15 H 0 1 N N N N N N 125.258 115.773 135.185 9.408   1.161  1.532  H16  A1MBA 55  
A1MBA H15  H16 H 0 1 N N N N N N 124.229 117.563 132.903 6.850   1.488  1.087  H15  A1MBA 56  
A1MBA H17  H17 H 0 1 N N N N N N 123.836 115.817 133.062 7.065   0.572  -0.424 H17  A1MBA 57  
A1MBA H18  H18 H 0 1 N N N N N N 126.381 115.405 132.988 7.768   -1.415 0.881  H18  A1MBA 58  
A1MBA H19  H19 H 0 1 N N N N N N 126.528 117.113 132.449 7.553   -0.500 2.392  H19  A1MBA 59  
A1MBA H20  H20 H 0 1 N N N N N N 127.409 114.806 130.918 5.927   -2.281 -0.224 H20  A1MBA 60  
A1MBA H12B H21 H 0 0 N N N N N N 126.208 115.439 128.300 3.568   -3.080 0.609  H12B A1MBA 61  
A1MBA H21  H22 H 0 1 N N N N N N 125.621 113.846 128.886 3.261   -1.400 1.110  H21  A1MBA 62  
A1MBA H22  H23 H 0 1 N N N N N N 127.949 113.071 129.151 3.484   -0.658 -1.246 H22  A1MBA 63  
A1MBA H13B H24 H 0 0 N N N N N N 128.553 114.671 128.601 3.790   -2.338 -1.746 H13B A1MBA 64  
A1MBA H24  H25 H 0 1 N N N N N N 128.613 112.458 125.478 -0.125  -1.124 -0.967 H24  A1MBA 65  
A1MBA H25  H26 H 0 1 N N N N N N 130.038 112.481 128.218 2.506   0.575  -0.565 H25  A1MBA 66  
A1MBA H26  H27 H 0 1 N N N N N N 131.803 111.341 127.142 0.949   2.407  -0.216 H26  A1MBA 67  
A1MBA H27  H28 H 0 1 N N N N N N 130.135 111.583 124.547 -1.237  0.183  -0.717 H27  A1MBA 68  
A1MBA H20B H29 H 0 0 N N N N N N 131.068 110.870 122.583 -3.695  2.805  -0.823 H20B A1MBA 69  
A1MBA H29  H30 H 0 1 N N N N N N 131.827 109.271 122.888 -3.394  1.061  -1.020 H29  A1MBA 70  
A1MBA H21B H31 H 0 0 N N N N N N 134.061 110.229 122.641 -3.263  0.806  1.443  H21B A1MBA 71  
A1MBA H30  H32 H 0 1 N N N N N N 133.375 111.883 122.497 -3.564  2.549  1.640  H30  A1MBA 72  
A1MBA H31  H33 H 0 1 N N N N N N 132.157 110.224 120.438 -5.890  2.184  0.515  H31  A1MBA 73  
A1MBA H24B H34 H 0 0 N N N N N N 133.670 111.723 117.916 -7.542  -0.524 2.159  H24B A1MBA 74  
A1MBA H32  H35 H 0 1 N N N N N N 132.717 110.251 118.305 -7.751  1.009  1.279  H32  A1MBA 75  
A1MBA H25B H36 H 0 0 N N N N N N 134.556 108.811 117.904 -7.225  -0.143 -0.853 H25B A1MBA 76  
A1MBA H34  H37 H 0 1 N N N N N N 135.745 110.155 117.997 -7.016  -1.676 0.027  H34  A1MBA 77  
A1MBA H36  H38 H 0 1 N N N N N N 133.656 110.190 115.771 -9.526  -1.517 0.721  H36  A1MBA 78  
A1MBA H37  H39 H 0 1 N N N N N N 136.165 110.941 113.432 -11.411 -0.994 -2.290 H37  A1MBA 79  
A1MBA H38  H40 H 0 1 N N N N N N 134.401 110.753 113.715 -11.369 -1.812 -0.709 H38  A1MBA 80  
A1MBA H39  H41 H 0 1 N N N N N N 134.415 108.485 113.097 -11.788 0.354  0.423  H39  A1MBA 81  
A1MBA H40  H42 H 0 1 N N N N N N 136.186 108.323 113.352 -11.830 1.172  -1.158 H40  A1MBA 82  
A1MBA H41  H43 H 0 1 N N N N N N 136.429 109.961 111.314 -13.912 -0.264 -1.762 H41  A1MBA 83  
A1MBA H42  H44 H 0 1 N N N N N N 136.154 109.888 109.081 -16.262 0.393  0.090  H42  A1MBA 84  
A1MBA H43  H45 H 0 1 N N N N N N 135.592 108.281 108.509 -15.877 -1.114 -0.777 H43  A1MBA 85  
A1MBA H44  H46 H 0 1 N N N N N N 134.439 109.655 108.601 -16.052 -1.126 0.995  H44  A1MBA 86  
A1MBA H45  H47 H 0 1 N N N N N N 123.759 116.838 131.201 4.343   0.509  2.018  H45  A1MBA 87  
A1MBA H46  H48 H 0 1 N N N N N N 124.509 116.886 129.570 4.069   -1.116 2.690  H46  A1MBA 88  
A1MBA H47  H49 H 0 1 N N N N N N 123.721 115.381 130.152 5.410   -0.116 3.299  H47  A1MBA 89  
A1MBA H49  H50 H 0 1 N N N N N N 125.829 114.393 126.892 1.130   -3.877 -0.463 H49  A1MBA 90  
A1MBA H48  H51 H 0 1 N N N N N N 126.820 114.414 125.395 0.323   -3.262 -1.926 H48  A1MBA 91  
A1MBA H50  H52 H 0 1 N N N N N N 126.017 112.895 125.919 1.994   -3.868 -2.020 H50  A1MBA 92  
A1MBA H51  H53 H 0 1 N N N N N N 133.172 110.472 126.268 -1.057  4.105  -0.952 H51  A1MBA 93  
A1MBA H52  H54 H 0 1 N N N N N N 133.331 109.114 125.104 -1.921  4.096  0.605  H52  A1MBA 94  
A1MBA H53  H55 H 0 1 N N N N N N 134.109 110.694 124.752 -0.250  3.490  0.511  H53  A1MBA 95  
A1MBA H54  H56 H 0 1 N N N N N N 135.466 111.588 121.272 -4.726  -0.583 3.028  H54  A1MBA 96  
A1MBA H55  H57 H 0 1 N N N N N N 136.125 110.793 119.802 -5.256  -1.736 1.780  H55  A1MBA 97  
A1MBA H56  H58 H 0 1 N N N N N N 135.475 112.465 119.705 -3.851  -0.685 1.482  H56  A1MBA 98  
A1MBA H57  H59 H 0 1 N N N N N N 137.169 109.724 116.756 -8.571  -0.275 -2.874 H57  A1MBA 99  
A1MBA H58  H60 H 0 1 N N N N N N 137.486 108.986 115.150 -9.789  0.992  -2.591 H58  A1MBA 100 
A1MBA H59  H61 H 0 1 N N N N N N 137.663 110.760 115.374 -8.288  0.971  -1.635 H59  A1MBA 101 
A1MBA H61  H62 H 0 1 N N N N N N 133.647 107.611 111.669 -13.585 0.937  1.931  H61  A1MBA 102 
A1MBA H60  H63 H 0 1 N N N N N N 132.922 108.277 110.167 -14.244 -0.654 2.382  H60  A1MBA 103 
A1MBA H62  H64 H 0 1 N N N N N N 134.075 106.903 110.075 -12.624 -0.535 1.653  H62  A1MBA 104 
# 
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 
A1MBA C35 C34  SING N N 1   
A1MBA C34 C42  SING N N 2   
A1MBA C34 C33  DOUB N N 3   
A1MBA C33 C32  SING N N 4   
A1MBA C32 C31  SING N N 5   
A1MBA C31 C30  SING N N 6   
A1MBA C30 C41  SING N N 7   
A1MBA C30 C29  DOUB N E 8   
A1MBA C29 C28  SING N N 9   
A1MBA C28 C27  SING N N 10  
A1MBA C27 C26  SING N N 11  
A1MBA C26 C40  SING N N 12  
A1MBA C26 C25  DOUB N E 13  
A1MBA C25 C24  SING N N 14  
A1MBA C24 C23  SING N N 15  
A1MBA C23 C22  SING N N 16  
A1MBA C22 C21  DOUB N E 17  
A1MBA C22 C39  SING N N 18  
A1MBA C21 C20  SING N N 19  
A1MBA C38 C17  SING N N 20  
A1MBA C18 C17  DOUB N Z 21  
A1MBA C18 C19  SING N N 22  
A1MBA C20 C19  DOUB N Z 23  
A1MBA C17 C16  SING N N 24  
A1MBA C16 C15  SING N N 25  
A1MBA C15 C14  SING N N 26  
A1MBA C14 C13  DOUB N E 27  
A1MBA C37 C13  SING N N 28  
A1MBA C13 C12  SING N N 29  
A1MBA C12 C11  SING N N 30  
A1MBA C11 C10  SING N N 31  
A1MBA C10 C9   DOUB N E 32  
A1MBA C5  C9   SING N N 33  
A1MBA C9  C8   SING N N 34  
A1MBA C8  C4   SING N N 35  
A1MBA C4  C3   SING N N 36  
A1MBA C3  C1   DOUB N N 37  
A1MBA C2  C1   SING N N 38  
A1MBA C1  C6   SING N N 39  
A1MBA C5  H1   SING N N 40  
A1MBA C5  H2   SING N N 41  
A1MBA C5  H3   SING N N 42  
A1MBA C4  H4   SING N N 43  
A1MBA C4  H5   SING N N 44  
A1MBA C3  H6   SING N N 45  
A1MBA C2  H7   SING N N 46  
A1MBA C2  H9   SING N N 47  
A1MBA C2  H8   SING N N 48  
A1MBA C6  H10  SING N N 49  
A1MBA C6  H11  SING N N 50  
A1MBA C6  H12  SING N N 51  
A1MBA C8  H14  SING N N 52  
A1MBA C8  H13  SING N N 53  
A1MBA C10 H16  SING N N 54  
A1MBA C11 H15  SING N N 55  
A1MBA C11 H17  SING N N 56  
A1MBA C12 H18  SING N N 57  
A1MBA C12 H19  SING N N 58  
A1MBA C14 H20  SING N N 59  
A1MBA C15 H12B SING N N 60  
A1MBA C15 H21  SING N N 61  
A1MBA C16 H22  SING N N 62  
A1MBA C16 H13B SING N N 63  
A1MBA C18 H24  SING N N 64  
A1MBA C19 H25  SING N N 65  
A1MBA C20 H26  SING N N 66  
A1MBA C21 H27  SING N N 67  
A1MBA C23 H20B SING N N 68  
A1MBA C23 H29  SING N N 69  
A1MBA C24 H21B SING N N 70  
A1MBA C24 H30  SING N N 71  
A1MBA C25 H31  SING N N 72  
A1MBA C27 H24B SING N N 73  
A1MBA C27 H32  SING N N 74  
A1MBA C28 H25B SING N N 75  
A1MBA C28 H34  SING N N 76  
A1MBA C29 H36  SING N N 77  
A1MBA C31 H37  SING N N 78  
A1MBA C31 H38  SING N N 79  
A1MBA C32 H39  SING N N 80  
A1MBA C32 H40  SING N N 81  
A1MBA C33 H41  SING N N 82  
A1MBA C35 H42  SING N N 83  
A1MBA C35 H43  SING N N 84  
A1MBA C35 H44  SING N N 85  
A1MBA C37 H45  SING N N 86  
A1MBA C37 H46  SING N N 87  
A1MBA C37 H47  SING N N 88  
A1MBA C38 H49  SING N N 89  
A1MBA C38 H48  SING N N 90  
A1MBA C38 H50  SING N N 91  
A1MBA C39 H51  SING N N 92  
A1MBA C39 H52  SING N N 93  
A1MBA C39 H53  SING N N 94  
A1MBA C40 H54  SING N N 95  
A1MBA C40 H55  SING N N 96  
A1MBA C40 H56  SING N N 97  
A1MBA C41 H57  SING N N 98  
A1MBA C41 H58  SING N N 99  
A1MBA C41 H59  SING N N 100 
A1MBA C42 H61  SING N N 101 
A1MBA C42 H60  SING N N 102 
A1MBA C42 H62  SING N N 103 
# 
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 
A1MBA InChI            InChI                1.06  "InChI=1S/C40H64/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,19-22,27-30H,13-18,23-26,31-32H2,1-10H3/b12-11-,35-21-,36-22+,37-27+,38-28+,39-29+,40-30+" 
A1MBA InChIKey         InChI                1.06  YVLPJIGOMTXXLP-JPWSVPCBSA-N                                                                                                                                                                                                        
A1MBA SMILES_CANONICAL CACTVS               3.385 "CC(C)=CCCC(/C)=C/CC/C(C)=C/CC\C(C)=C/C=C\C=C(C)\CC/C=C(C)/CC/C=C(C)/CCC=C(C)C"                                                                                                                                                    
A1MBA SMILES           CACTVS               3.385 "CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CC=CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C"                                                                                                                                                                
A1MBA SMILES_CANONICAL "OpenEye OEToolkits" 2.0.7 "CC(=CCC/C(=C/CC/C(=C/CC/C(=C/C=C\C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)/C)/C)/C)C"                                                                                                                                              
A1MBA SMILES           "OpenEye OEToolkits" 2.0.7 "CC(=CCCC(=CCCC(=CCCC(=CC=CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)C)C)C)C"                                                                                                                                                                
# 
_pdbx_chem_comp_identifier.comp_id           A1MBA 
_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        "(6~{E},10~{E},14~{Z},16~{Z},18~{E},22~{E},26~{E})-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,14,16,18,22,26,30-nonaene" 
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
A1MBA "Create component" 2025-07-29 PDBJ 
A1MBA "Modify name"      2025-07-31 PDBJ 
A1MBA "Initial release"  2025-10-22 RCSB 
# 
_pdbx_chem_comp_synonyms.ordinal      1 
_pdbx_chem_comp_synonyms.comp_id      A1MBA 
_pdbx_chem_comp_synonyms.name         "(6~{E},10~{E},14~{Z},16~{Z},18~{E},22~{E},26~{E})-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,14,16,18,22,26,30-nonaene" 
_pdbx_chem_comp_synonyms.provenance   PDB 
_pdbx_chem_comp_synonyms.type         ? 
# 
