data_A1ELD
# 
_chem_comp.id                                    A1ELD 
_chem_comp.name                                  "(2~{Z},4~{E},6~{E},8~{E},10~{E},12~{E},14~{E},16~{E})-2-[(1~{Z},3~{Z},5~{E})-8-methoxy-4,8-dimethyl-nona-1,3,5-trienyl]-6,11,15-trimethyl-17-[(4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]heptadeca-2,4,6,8,10,12,14,16-octaenal" 
_chem_comp.type                                  non-polymer 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C41 H56 O3" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2025-02-06 
_chem_comp.pdbx_modified_date                    2025-12-05 
_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                        596.882 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     A1ELD 
_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        9LT4 
_chem_comp.pdbx_subcomponent_list                ? 
_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 
A1ELD C2  C1  C 0 1 N N N N N N 75.241 93.824  79.144  -12.670 -0.472 -0.856 C2  A1ELD 1   
A1ELD C3  C2  C 0 1 N N N N N N 76.498 94.655  79.362  -11.528 -0.883 0.027  C3  A1ELD 2   
A1ELD C4  C3  C 0 1 N N N N N N 77.093 95.330  78.354  -11.653 -1.132 1.320  C4  A1ELD 3   
A1ELD C5  C4  C 0 1 N N N N N N 76.785 95.034  76.916  -12.950 -1.023 2.068  C5  A1ELD 4   
A1ELD C6  C5  C 0 1 N N R N N N 75.329 94.654  76.742  -14.124 -1.018 1.087  C6  A1ELD 5   
A1ELD C7  C6  C 0 1 N N N N N N 75.008 93.498  77.666  -13.842 0.022  -0.005 C7  A1ELD 6   
A1ELD C8  C7  C 0 1 N N N N N N 76.983 94.758  80.724  -10.244 -1.014 -0.558 C8  A1ELD 7   
A1ELD C9  C8  C 0 1 N N N N N N 78.257 94.524  81.162  -9.195  -0.305 -0.062 C9  A1ELD 8   
A1ELD C10 C9  C 0 1 N N N N N N 78.820 94.750  82.419  -7.902  -0.518 -0.566 C10 A1ELD 9   
A1ELD C11 C10 C 0 1 N N N N N N 80.158 94.185  82.714  -7.676  -1.533 -1.657 C11 A1ELD 10  
A1ELD C12 C11 C 0 1 N N N N N N 79.435 104.951 95.386  7.067   4.218  0.994  C12 A1ELD 11  
A1ELD C13 C12 C 0 1 N N N N N N 78.213 95.519  83.431  -6.840  0.199  -0.064 C13 A1ELD 12  
A1ELD C14 C13 C 0 1 N N N N N N 78.636 95.709  84.739  -5.551  -0.013 -0.566 C14 A1ELD 13  
A1ELD C15 C14 C 0 1 N N N N N N 78.162 96.609  85.679  -4.488  0.706  -0.063 C15 A1ELD 14  
A1ELD C16 C15 C 0 1 N N N N N N 78.503 96.733  87.041  -3.201  0.494  -0.564 C16 A1ELD 15  
A1ELD C17 C16 C 0 1 N N N N N N 79.326 95.668  87.662  -2.975  -0.521 -1.655 C17 A1ELD 16  
A1ELD C18 C17 C 0 1 N N N N N N 78.118 97.829  87.835  -2.135  1.214  -0.060 C18 A1ELD 17  
A1ELD C19 C18 C 0 1 N N N N N N 78.412 98.103  89.160  -0.850  1.002  -0.561 C19 A1ELD 18  
A1ELD C20 C19 C 0 1 N N N N N N 78.179 99.263  89.894  0.217   1.723  -0.056 C20 A1ELD 19  
A1ELD C21 C20 C 0 1 N N N N N N 78.475 99.634  91.194  1.501   1.511  -0.557 C21 A1ELD 20  
A1ELD C22 C21 C 0 1 N N N N N N 78.340 100.900 91.798  2.568   2.233  -0.051 C22 A1ELD 21  
A1ELD C23 C22 C 0 1 N N N N N N 77.758 102.002 90.997  2.343   3.248  1.040  C23 A1ELD 22  
A1ELD C24 C23 C 0 1 N N N N N N 78.738 101.175 93.120  3.851   2.022  -0.551 C24 A1ELD 23  
A1ELD C25 C24 C 0 1 N N N N N N 78.821 102.392 93.777  4.920   2.745  -0.044 C25 A1ELD 24  
A1ELD C26 C25 C 0 1 N N N N N N 79.308 102.583 95.082  6.198   2.534  -0.542 C26 A1ELD 25  
A1ELD C27 C26 C 0 1 N N N N N N 79.641 103.652 95.925  7.278   3.265  -0.030 C27 A1ELD 26  
A1ELD C29 C27 C 0 1 N N N N N N 80.133 103.493 97.230  8.625   3.043  -0.555 C29 A1ELD 27  
A1ELD C30 C28 C 0 1 N N N N N N 80.745 104.193 98.293  9.156   1.794  -0.554 C30 A1ELD 28  
A1ELD C31 C29 C 0 1 N N N N N N 81.264 105.471 98.407  8.465   0.734  0.069  C31 A1ELD 29  
A1ELD C32 C30 C 0 1 N N N N N N 81.893 106.058 99.524  9.015   -0.505 0.105  C32 A1ELD 30  
A1ELD C33 C31 C 0 1 N N N N N N 82.399 107.443 99.392  8.276   -1.638 0.770  C33 A1ELD 31  
A1ELD C34 C32 C 0 1 N N N N N N 82.052 105.409 100.765 10.323  -0.743 -0.502 C34 A1ELD 32  
A1ELD C35 C33 C 0 1 N N N N N N 82.721 105.882 101.814 10.864  -1.964 -0.467 C35 A1ELD 33  
A1ELD C36 C34 C 0 1 N N N N N N 82.621 105.377 103.222 12.213  -2.208 -1.092 C36 A1ELD 34  
A1ELD C37 C35 C 0 1 N N N N N N 83.894 104.795 103.859 13.152  -2.825 -0.054 C37 A1ELD 35  
A1ELD C38 C36 C 0 1 N N N N N N 84.474 103.712 102.960 14.555  -2.958 -0.651 C38 A1ELD 36  
A1ELD C39 C37 C 0 1 N N N N N N 83.567 104.245 105.240 13.207  -1.925 1.182  C39 A1ELD 37  
A1ELD C41 C38 C 0 1 N N N N N N 85.875 106.037 103.027 13.478  -4.783 1.289  C41 A1ELD 38  
A1ELD C43 C39 C 0 1 N N N N N N 78.097 96.435  78.539  -10.423 -1.546 2.086  C43 A1ELD 39  
A1ELD C44 C40 C 0 1 N N N N N N 75.331 92.518  79.929  -12.213 0.653  -1.786 C44 A1ELD 40  
A1ELD C45 C41 C 0 1 N N N N N N 74.018 94.566  79.672  -13.122 -1.671 -1.693 C45 A1ELD 41  
A1ELD O13 O1  O 0 1 N N N N N N 79.606 105.995 95.971  7.985   4.917  1.372  O13 A1ELD 42  
A1ELD O42 O2  O 0 1 N N N N N N 84.930 105.783 104.055 12.668  -4.117 0.318  O42 A1ELD 43  
A1ELD O46 O3  O 0 1 N N N N N N 75.080 94.281  75.389  -15.326 -0.673 1.779  O46 A1ELD 44  
A1ELD H3  H3  H 0 1 N N N N N N 77.418 94.201  76.576  -13.049 -1.872 2.744  H3  A1ELD 45  
A1ELD H4  H4  H 0 1 N N N N N N 76.999 95.927  76.311  -12.959 -0.099 2.645  H4  A1ELD 46  
A1ELD H5  H5  H 0 1 N N N N N N 74.702 95.514  77.018  -14.228 -2.004 0.635  H5  A1ELD 47  
A1ELD H6  H6  H 0 1 N N N N N N 73.951 93.225  77.531  -13.583 0.975  0.456  H6  A1ELD 48  
A1ELD H7  H7  H 0 1 N N N N N N 75.645 92.644  77.392  -14.725 0.143  -0.632 H7  A1ELD 49  
A1ELD H8  H8  H 0 1 N N N N N N 76.261 95.051  81.472  -10.099 -1.676 -1.399 H8  A1ELD 50  
A1ELD H9  H9  H 0 1 N N N N N N 78.926 94.102  80.427  -9.357  0.422  0.720  H9  A1ELD 51  
A1ELD H10 H10 H 0 1 N N N N N N 80.452 94.454  83.739  -7.778  -1.050 -2.629 H10 A1ELD 52  
A1ELD H11 H11 H 0 1 N N N N N N 80.123 93.090  82.618  -6.674  -1.951 -1.563 H11 A1ELD 53  
A1ELD H12 H12 H 0 1 N N N N N N 80.892 94.592  82.003  -8.413  -2.331 -1.569 H12 A1ELD 54  
A1ELD H13 H13 H 0 1 N N N N N N 79.095 105.011 94.363  6.088   4.323  1.440  H13 A1ELD 55  
A1ELD H14 H14 H 0 1 N N N N N N 77.301 96.026  83.153  -7.002  0.927  0.718  H14 A1ELD 56  
A1ELD H15 H15 H 0 1 N N N N N N 79.442 95.070  85.068  -5.390  -0.740 -1.348 H15 A1ELD 57  
A1ELD H16 H16 H 0 1 N N N N N N 77.428 97.315  85.318  -4.649  1.433  0.719  H16 A1ELD 58  
A1ELD H18 H18 H 0 1 N N N N N N 79.504 95.911  88.720  -3.077  -0.038 -2.627 H18 A1ELD 59  
A1ELD H19 H19 H 0 1 N N N N N N 78.796 94.707  87.591  -1.973  -0.939 -1.561 H19 A1ELD 60  
A1ELD H20 H20 H 0 1 N N N N N N 80.289 95.596  87.136  -3.712  -1.319 -1.567 H20 A1ELD 61  
A1ELD H21 H21 H 0 1 N N N N N N 77.503 98.564  87.338  -2.297  1.941  0.722  H21 A1ELD 62  
A1ELD H22 H22 H 0 1 N N N N N N 78.891 97.301  89.702  -0.688  0.275  -1.343 H22 A1ELD 63  
A1ELD H23 H23 H 0 1 N N N N N N 77.662 100.029 89.335  0.055   2.450  0.726  H23 A1ELD 64  
A1ELD H24 H24 H 0 1 N N N N N N 78.860 98.850  91.829  1.662   0.784  -1.339 H24 A1ELD 65  
A1ELD H26 H26 H 0 1 N N N N N N 77.720 102.918 91.605  2.445   2.765  2.012  H26 A1ELD 66  
A1ELD H27 H27 H 0 1 N N N N N N 78.381 102.178 90.108  3.080   4.046  0.952  H27 A1ELD 67  
A1ELD H28 H28 H 0 1 N N N N N N 76.740 101.729 90.683  1.341   3.666  0.946  H28 A1ELD 68  
A1ELD H29 H29 H 0 1 N N N N N N 79.019 100.313 93.707  4.012   1.294  -1.333 H29 A1ELD 69  
A1ELD H30 H30 H 0 1 N N N N N N 78.483 103.267 93.242  4.759   3.472  0.738  H30 A1ELD 70  
A1ELD H31 H31 H 0 1 N N N N N N 79.472 101.636 95.575  6.359   1.807  -1.324 H31 A1ELD 71  
A1ELD H32 H32 H 0 1 N N N N N N 79.993 102.465 97.529  9.196   3.873  -0.944 H32 A1ELD 72  
A1ELD H34 H34 H 0 1 N N N N N N 80.824 103.614 99.201  10.109  1.612  -1.030 H34 A1ELD 73  
A1ELD H35 H35 H 0 1 N N N N N N 81.176 106.097 97.531  7.499   0.910  0.517  H35 A1ELD 74  
A1ELD H37 H37 H 0 1 N N N N N N 82.860 107.758 100.340 7.643   -2.139 0.038  H37 A1ELD 75  
A1ELD H38 H38 H 0 1 N N N N N N 83.149 107.484 98.589  8.994   -2.350 1.177  H38 A1ELD 76  
A1ELD H39 H39 H 0 1 N N N N N N 81.564 108.117 99.149  7.658   -1.244 1.577  H39 A1ELD 77  
A1ELD H40 H40 H 0 1 N N N N N N 81.589 104.440 100.875 10.852  0.069  -0.979 H40 A1ELD 78  
A1ELD H41 H41 H 0 1 N N N N N N 83.397 106.705 101.634 10.335  -2.775 0.010  H41 A1ELD 79  
A1ELD H42 H42 H 0 1 N N N N N N 82.292 106.217 103.851 12.104  -2.891 -1.935 H42 A1ELD 80  
A1ELD H43 H43 H 0 1 N N N N N N 81.855 104.587 103.235 12.628  -1.263 -1.442 H43 A1ELD 81  
A1ELD H44 H44 H 0 1 N N N N N N 85.384 103.300 103.421 14.924  -1.973 -0.935 H44 A1ELD 82  
A1ELD H45 H45 H 0 1 N N N N N N 83.734 102.909 102.829 15.224  -3.398 0.089  H45 A1ELD 83  
A1ELD H46 H46 H 0 1 N N N N N N 84.723 104.144 101.980 14.516  -3.599 -1.531 H46 A1ELD 84  
A1ELD H47 H47 H 0 1 N N N N N N 83.151 105.048 105.866 12.208  -1.830 1.607  H47 A1ELD 85  
A1ELD H48 H48 H 0 1 N N N N N N 82.830 103.434 105.146 13.877  -2.364 1.922  H48 A1ELD 86  
A1ELD H49 H49 H 0 1 N N N N N N 84.484 103.855 105.706 13.576  -0.940 0.898  H49 A1ELD 87  
A1ELD H50 H50 H 0 1 N N N N N N 86.579 106.815 103.359 14.484  -4.919 0.892  H50 A1ELD 88  
A1ELD H51 H51 H 0 1 N N N N N N 86.429 105.114 102.802 13.524  -4.183 2.198  H51 A1ELD 89  
A1ELD H52 H52 H 0 1 N N N N N N 85.350 106.379 102.123 13.044  -5.756 1.518  H52 A1ELD 90  
A1ELD H53 H53 H 0 1 N N N N N N 78.272 96.596  79.613  -9.929  -0.661 2.487  H53 A1ELD 91  
A1ELD H54 H54 H 0 1 N N N N N N 79.043 96.157  78.051  -10.710 -2.204 2.906  H54 A1ELD 92  
A1ELD H55 H55 H 0 1 N N N N N N 77.710 97.361  78.088  -9.740  -2.073 1.420  H55 A1ELD 93  
A1ELD H56 H56 H 0 1 N N N N N N 75.498 92.740  80.993  -11.337 0.327  -2.347 H56 A1ELD 94  
A1ELD H57 H57 H 0 1 N N N N N N 74.392 91.956  79.815  -13.017 0.901  -2.480 H57 A1ELD 95  
A1ELD H58 H58 H 0 1 N N N N N N 76.167 91.916  79.544  -11.959 1.533  -1.195 H58 A1ELD 96  
A1ELD H59 H59 H 0 1 N N N N N N 74.167 94.809  80.734  -13.443 -2.475 -1.032 H59 A1ELD 97  
A1ELD H60 H60 H 0 1 N N N N N N 73.877 95.495  79.099  -13.951 -1.374 -2.335 H60 A1ELD 98  
A1ELD H61 H61 H 0 1 N N N N N N 73.128 93.929  79.563  -12.291 -2.016 -2.309 H61 A1ELD 99  
A1ELD H62 H62 H 0 1 N N N N N N 74.165 94.044  75.288  -15.556 -1.282 2.494  H62 A1ELD 100 
# 
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 
A1ELD O46 C6  SING N N 1   
A1ELD C6  C5  SING N N 2   
A1ELD C6  C7  SING N N 3   
A1ELD C5  C4  SING N N 4   
A1ELD C7  C2  SING N N 5   
A1ELD C4  C43 SING N N 6   
A1ELD C4  C3  DOUB N N 7   
A1ELD C2  C3  SING N N 8   
A1ELD C2  C45 SING N N 9   
A1ELD C2  C44 SING N N 10  
A1ELD C3  C8  SING N N 11  
A1ELD C8  C9  DOUB N E 12  
A1ELD C9  C10 SING N N 13  
A1ELD C10 C11 SING N N 14  
A1ELD C10 C13 DOUB N E 15  
A1ELD C13 C14 SING N N 16  
A1ELD C14 C15 DOUB N E 17  
A1ELD C15 C16 SING N N 18  
A1ELD C16 C17 SING N N 19  
A1ELD C16 C18 DOUB N E 20  
A1ELD C18 C19 SING N N 21  
A1ELD C19 C20 DOUB N E 22  
A1ELD C20 C21 SING N N 23  
A1ELD C23 C22 SING N N 24  
A1ELD C21 C22 DOUB N E 25  
A1ELD C22 C24 SING N N 26  
A1ELD C24 C25 DOUB N E 27  
A1ELD C25 C26 SING N N 28  
A1ELD C26 C27 DOUB N Z 29  
A1ELD C12 C27 SING N N 30  
A1ELD C12 O13 DOUB N N 31  
A1ELD C27 C29 SING N N 32  
A1ELD C29 C30 DOUB N Z 33  
A1ELD C30 C31 SING N N 34  
A1ELD C31 C32 DOUB N Z 35  
A1ELD C33 C32 SING N N 36  
A1ELD C32 C34 SING N N 37  
A1ELD C34 C35 DOUB N E 38  
A1ELD C35 C36 SING N N 39  
A1ELD C38 C37 SING N N 40  
A1ELD C41 O42 SING N N 41  
A1ELD C36 C37 SING N N 42  
A1ELD C37 O42 SING N N 43  
A1ELD C37 C39 SING N N 44  
A1ELD C5  H3  SING N N 45  
A1ELD C5  H4  SING N N 46  
A1ELD C6  H5  SING N N 47  
A1ELD C7  H6  SING N N 48  
A1ELD C7  H7  SING N N 49  
A1ELD C8  H8  SING N N 50  
A1ELD C9  H9  SING N N 51  
A1ELD C11 H10 SING N N 52  
A1ELD C11 H11 SING N N 53  
A1ELD C11 H12 SING N N 54  
A1ELD C12 H13 SING N N 55  
A1ELD C13 H14 SING N N 56  
A1ELD C14 H15 SING N N 57  
A1ELD C15 H16 SING N N 58  
A1ELD C17 H18 SING N N 59  
A1ELD C17 H19 SING N N 60  
A1ELD C17 H20 SING N N 61  
A1ELD C18 H21 SING N N 62  
A1ELD C19 H22 SING N N 63  
A1ELD C20 H23 SING N N 64  
A1ELD C21 H24 SING N N 65  
A1ELD C23 H26 SING N N 66  
A1ELD C23 H27 SING N N 67  
A1ELD C23 H28 SING N N 68  
A1ELD C24 H29 SING N N 69  
A1ELD C25 H30 SING N N 70  
A1ELD C26 H31 SING N N 71  
A1ELD C29 H32 SING N N 72  
A1ELD C30 H34 SING N N 73  
A1ELD C31 H35 SING N N 74  
A1ELD C33 H37 SING N N 75  
A1ELD C33 H38 SING N N 76  
A1ELD C33 H39 SING N N 77  
A1ELD C34 H40 SING N N 78  
A1ELD C35 H41 SING N N 79  
A1ELD C36 H42 SING N N 80  
A1ELD C36 H43 SING N N 81  
A1ELD C38 H44 SING N N 82  
A1ELD C38 H45 SING N N 83  
A1ELD C38 H46 SING N N 84  
A1ELD C39 H47 SING N N 85  
A1ELD C39 H48 SING N N 86  
A1ELD C39 H49 SING N N 87  
A1ELD C41 H50 SING N N 88  
A1ELD C41 H51 SING N N 89  
A1ELD C41 H52 SING N N 90  
A1ELD C43 H53 SING N N 91  
A1ELD C43 H54 SING N N 92  
A1ELD C43 H55 SING N N 93  
A1ELD C44 H56 SING N N 94  
A1ELD C44 H57 SING N N 95  
A1ELD C44 H58 SING N N 96  
A1ELD C45 H59 SING N N 97  
A1ELD C45 H60 SING N N 98  
A1ELD C45 H61 SING N N 99  
A1ELD O46 H62 SING N N 100 
# 
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 
A1ELD InChI            InChI                1.06  "InChI=1S/C41H56O3/c1-32(19-13-20-35(4)26-27-39-36(5)29-38(43)30-40(39,6)7)17-11-12-18-33(2)21-14-24-37(31-42)25-15-22-34(3)23-16-28-41(8,9)44-10/h11-27,31,38,43H,28-30H2,1-10H3/b12-11+,19-13+,21-14+,23-16+,25-15-,27-26+,32-17+,33-18+,34-22-,35-20+,37-24-/t38-/m1/s1" 
A1ELD InChIKey         InChI                1.06  DFOYVSCLGRVGJK-PCDZQMFBSA-N                                                                                                                                                                                                                                                 
A1ELD SMILES_CANONICAL CACTVS               3.385 "COC(C)(C)C/C=C/C(C)=C\C=C/C(C=O)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C"                                                                                                                                                                          
A1ELD SMILES           CACTVS               3.385 "COC(C)(C)CC=CC(C)=CC=CC(C=O)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C[CH](O)CC1(C)C"                                                                                                                                                                                        
A1ELD SMILES_CANONICAL "OpenEye OEToolkits" 2.0.7 "CC1=C(C(C[C@@H](C1)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(/C=C\C=C(\C)/C=C/CC(C)(C)OC)\C=O)/C)/C"                                                                                                                                                                   
A1ELD SMILES           "OpenEye OEToolkits" 2.0.7 "CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C=CC=C(C)C=CCC(C)(C)OC)C=O)C)C"                                                                                                                                                                                         
# 
_pdbx_chem_comp_identifier.comp_id           A1ELD 
_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        "(2~{Z},4~{E},6~{E},8~{E},10~{E},12~{E},14~{E},16~{E})-2-[(1~{Z},3~{Z},5~{E})-8-methoxy-4,8-dimethyl-nona-1,3,5-trienyl]-6,11,15-trimethyl-17-[(4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]heptadeca-2,4,6,8,10,12,14,16-octaenal" 
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
A1ELD "Create component" 2025-02-06 PDBC 
A1ELD "Initial release"  2025-12-10 RCSB 
# 
