data_A1L0E
# 
_chem_comp.id                                    A1L0E 
_chem_comp.name                                  "(1~{R})-3,5,5-trimethyl-4-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E})-3,7,12,16-tetramethyl-18-[(1~{R},4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohex-2-en-1-yl]octadeca-1,3,5,7,9,11,13,15-octaenyl]cyclohex-3-en-1-ol" 
_chem_comp.type                                  non-polymer 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C40 H58 O2" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         "7',8'-dihydrolutein" 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2024-04-09 
_chem_comp.pdbx_modified_date                    2025-12-26 
_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                        570.887 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     A1L0E 
_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        8YHY 
_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 
A1L0E C1  C1  C 0 1 N N N N N N 104.867 126.504 93.217  11.236  -0.448 0.361  C1  A1L0E 1   
A1L0E C10 C2  C 0 1 N N N N N N 110.644 123.696 103.674 -0.687  0.801  -0.538 C10 A1L0E 2   
A1L0E C11 C3  C 0 1 N N N N N N 110.812 123.463 105.082 -1.962  0.242  -0.703 C11 A1L0E 3   
A1L0E C12 C4  C 0 1 N N N N N N 111.917 123.023 105.734 -3.063  1.048  -0.714 C12 A1L0E 4   
A1L0E C13 C5  C 0 1 N N N N N N 111.853 122.821 107.176 -4.343  0.488  -0.879 C13 A1L0E 5   
A1L0E C14 C6  C 0 1 N N N N N N 112.809 122.316 107.978 -5.439  1.290  -0.891 C14 A1L0E 6   
A1L0E C15 C7  C 0 1 N N N N N N 112.654 122.144 109.402 -6.729  0.726  -1.057 C15 A1L0E 7   
A1L0E C16 C8  C 0 1 N N N N N N 113.528 121.637 110.296 -7.807  1.515  -1.068 C16 A1L0E 8   
A1L0E C17 C9  C 0 1 N N N N N N 113.187 121.605 111.768 -9.178  0.914  -1.246 C17 A1L0E 9   
A1L0E C18 C10 C 0 1 N N N N N N 112.559 120.286 112.229 -9.814  0.681  0.126  C18 A1L0E 10  
A1L0E C19 C11 C 0 1 N N R N N N 112.297 120.181 113.744 -11.250 0.185  -0.055 C19 A1L0E 11  
A1L0E C2  C12 C 0 1 N N N N N N 105.759 125.929 95.497  8.851   -0.209 0.168  C2  A1L0E 12  
A1L0E C20 C13 C 0 1 N N N N N N 104.308 126.102 97.563  7.417   -2.259 -0.163 C20 A1L0E 13  
A1L0E C21 C14 C 0 1 N N N N N N 106.727 124.775 102.020 2.655   -1.757 -0.515 C21 A1L0E 14  
A1L0E C22 C15 C 0 1 N N N N N N 113.210 122.707 105.033 -2.909  2.538  -0.549 C22 A1L0E 15  
A1L0E C23 C16 C 0 1 N N N N N N 114.876 121.076 109.941 -7.653  3.005  -0.904 C23 A1L0E 16  
A1L0E C24 C17 C 0 1 N N N N N N 103.913 125.614 92.415  12.262  -0.666 -0.713 C24 A1L0E 17  
A1L0E C25 C18 C 0 1 N N N N N N 104.347 125.515 90.949  13.662  -0.372 -0.171 C25 A1L0E 18  
A1L0E C26 C19 C 0 1 N N R N N N 104.742 126.862 90.371  13.639  0.994  0.525  C26 A1L0E 19  
A1L0E C27 C20 C 0 1 N N N N N N 105.935 127.381 91.152  12.784  0.880  1.790  C27 A1L0E 20  
A1L0E C28 C21 C 0 1 N N N N N N 105.694 127.394 92.641  11.464  0.244  1.464  C28 A1L0E 21  
A1L0E C29 C22 C 0 1 N N N N N N 110.983 120.857 114.224 -12.023 0.380  1.251  C29 A1L0E 22  
A1L0E C3  C23 C 0 1 N N N N N N 105.641 125.799 96.940  7.572   -0.769 0.002  C3  A1L0E 23  
A1L0E C30 C24 C 0 1 N N N N N N 111.251 122.305 114.685 -13.365 -0.353 1.135  C30 A1L0E 24  
A1L0E C31 C25 C 0 1 N N R N N N 112.394 122.433 115.669 -13.092 -1.858 1.082  C31 A1L0E 25  
A1L0E C32 C26 C 0 1 N N N N N N 113.557 121.548 115.354 -12.035 -2.155 0.060  C32 A1L0E 26  
A1L0E C33 C27 C 0 1 N N N N N N 113.525 120.463 114.590 -11.231 -1.268 -0.432 C33 A1L0E 27  
A1L0E C34 C28 C 0 1 N N N N N N 114.658 119.481 114.524 -10.212 -1.721 -1.446 C34 A1L0E 28  
A1L0E C35 C29 C 0 1 N N N N N N 106.459 128.454 93.384  10.339  0.394  2.455  C35 A1L0E 29  
A1L0E C36 C30 C 0 1 N N N N N N 102.493 126.192 92.460  11.969  0.266  -1.891 C36 A1L0E 30  
A1L0E C37 C31 C 0 1 N N N N N N 109.952 120.891 113.090 -11.219 -0.201 2.416  C37 A1L0E 31  
A1L0E C38 C32 C 0 1 N N N N N N 103.892 124.195 92.994  12.199  -2.119 -1.188 C38 A1L0E 32  
A1L0E C39 C33 C 0 1 N N N N N N 110.371 120.057 115.380 -12.270 1.872  1.485  C39 A1L0E 33  
A1L0E C4  C34 C 0 1 N N N N N N 106.718 125.413 97.669  6.470   0.037  -0.009 C4  A1L0E 34  
A1L0E C42 C35 C 0 1 N N N N N N 104.798 126.327 94.663  9.947   -1.011 0.179  C42 A1L0E 35  
A1L0E C5  C36 C 0 1 N N N N N N 106.786 125.221 99.090  5.195   -0.521 -0.174 C5  A1L0E 36  
A1L0E C6  C37 C 0 1 N N N N N N 107.881 124.830 99.765  4.084   0.291  -0.185 C6  A1L0E 37  
A1L0E C7  C38 C 0 1 N N N N N N 107.980 124.622 101.202 2.810   -0.267 -0.350 C7  A1L0E 38  
A1L0E C8  C39 C 0 1 N N N N N N 109.175 124.300 101.757 1.699   0.546  -0.361 C8  A1L0E 39  
A1L0E C9  C40 C 0 1 N N N N N N 109.446 124.055 103.144 0.424   -0.012 -0.526 C9  A1L0E 40  
A1L0E O40 O1  O 0 1 N N N N N N 105.081 126.717 88.991  14.970  1.375  0.878  O40 A1L0E 41  
A1L0E O41 O2  O 0 1 N N N N N N 111.925 122.189 117.002 -14.295 -2.546 0.734  O41 A1L0E 42  
A1L0E H1  H1  H 0 1 N N N N N N 111.495 123.582 103.018 -0.576  1.869  -0.420 H1  A1L0E 43  
A1L0E H2  H2  H 0 1 N N N N N N 109.949 123.664 105.699 -2.073  -0.825 -0.821 H2  A1L0E 44  
A1L0E H3  H3  H 0 1 N N N N N N 110.931 123.110 107.657 -4.453  -0.580 -0.997 H3  A1L0E 45  
A1L0E H4  H4  H 0 1 N N N N N N 113.747 122.023 107.529 -5.328  2.358  -0.772 H4  A1L0E 46  
A1L0E H5  H5  H 0 1 N N N N N N 111.707 122.466 109.809 -6.840  -0.342 -1.175 H5  A1L0E 47  
A1L0E H6  H6  H 0 1 N N N N N N 114.111 121.768 112.342 -9.802  1.597  -1.824 H6  A1L0E 48  
A1L0E H7  H7  H 0 1 N N N N N N 112.477 122.419 111.977 -9.094  -0.036 -1.773 H7  A1L0E 49  
A1L0E H8  H8  H 0 1 N N N N N N 111.598 120.166 111.708 -9.238  -0.067 0.672  H8  A1L0E 50  
A1L0E H9  H9  H 0 1 N N N N N N 113.236 119.468 111.943 -9.821  1.615  0.688  H9  A1L0E 51  
A1L0E H10 H10 H 0 1 N N N N N N 112.108 119.109 113.902 -11.732 0.755  -0.849 H10 A1L0E 52  
A1L0E H11 H11 H 0 1 N N N N N N 106.715 125.680 95.060  8.962   0.859  0.286  H11 A1L0E 53  
A1L0E H12 H12 H 0 1 N N N N N N 104.371 125.961 98.652  7.293   -2.721 0.816  H12 A1L0E 54  
A1L0E H13 H13 H 0 1 N N N N N N 104.029 127.143 97.344  6.541   -2.467 -0.776 H13 A1L0E 55  
A1L0E H14 H14 H 0 1 N N N N N N 103.547 125.424 97.149  8.305   -2.665 -0.647 H14 A1L0E 56  
A1L0E H15 H15 H 0 1 N N N N N N 106.955 124.589 103.080 2.532   -2.220 0.464  H15 A1L0E 57  
A1L0E H16 H16 H 0 1 N N N N N N 106.335 125.796 101.903 1.779   -1.965 -1.129 H16 A1L0E 58  
A1L0E H17 H17 H 0 1 N N N N N N 105.974 124.051 101.675 3.543   -2.163 -0.999 H17 A1L0E 59  
A1L0E H18 H18 H 0 1 N N N N N N 113.954 122.370 105.770 -2.785  3.001  -1.528 H18 A1L0E 60  
A1L0E H19 H19 H 0 1 N N N N N N 113.041 121.911 104.293 -3.797  2.944  -0.065 H19 A1L0E 61  
A1L0E H20 H20 H 0 1 N N N N N N 113.581 123.609 104.523 -2.033  2.747  0.065  H20 A1L0E 62  
A1L0E H21 H21 H 0 1 N N N N N N 115.383 120.732 110.855 -7.529  3.468  -1.883 H21 A1L0E 63  
A1L0E H22 H22 H 0 1 N N N N N N 114.750 120.229 109.250 -8.541  3.411  -0.419 H22 A1L0E 64  
A1L0E H23 H23 H 0 1 N N N N N N 115.482 121.856 109.458 -6.777  3.213  -0.290 H23 A1L0E 65  
A1L0E H24 H24 H 0 1 N N N N N N 103.512 125.109 90.360  13.946  -1.143 0.545  H24 A1L0E 66  
A1L0E H25 H25 H 0 1 N N N N N N 105.209 124.835 90.881  14.377  -0.355 -0.994 H25 A1L0E 67  
A1L0E H26 H26 H 0 1 N N N N N N 103.903 127.564 90.487  13.206  1.738  -0.143 H26 A1L0E 68  
A1L0E H27 H27 H 0 1 N N N N N N 106.801 126.737 90.941  13.309  0.274  2.528  H27 A1L0E 69  
A1L0E H28 H28 H 0 1 N N N N N N 106.153 128.407 90.822  12.612  1.876  2.200  H28 A1L0E 70  
A1L0E H29 H29 H 0 1 N N N N N N 111.487 122.913 113.799 -13.984 -0.124 2.003  H29 A1L0E 71  
A1L0E H30 H30 H 0 1 N N N N N N 110.338 122.691 115.162 -13.875 -0.041 0.224  H30 A1L0E 72  
A1L0E H31 H31 H 0 1 N N N N N N 112.750 123.472 115.617 -12.752 -2.198 2.060  H31 A1L0E 73  
A1L0E H32 H32 H 0 1 N N N N N N 114.509 121.816 115.787 -11.938 -3.174 -0.288 H32 A1L0E 74  
A1L0E H33 H33 H 0 1 N N N N N N 115.472 119.814 115.185 -9.210  -1.510 -1.073 H33 A1L0E 75  
A1L0E H34 H34 H 0 1 N N N N N N 114.305 118.491 114.849 -10.319 -2.793 -1.614 H34 A1L0E 76  
A1L0E H35 H35 H 0 1 N N N N N N 115.028 119.417 113.490 -10.371 -1.189 -2.383 H35 A1L0E 77  
A1L0E H36 H36 H 0 1 N N N N N N 106.225 128.392 94.457  10.681  0.983  3.306  H36 A1L0E 78  
A1L0E H37 H37 H 0 1 N N N N N N 107.538 128.300 93.235  9.499   0.898  1.978  H37 A1L0E 79  
A1L0E H38 H38 H 0 1 N N N N N N 106.174 129.446 93.004  10.024  -0.592 2.799  H38 A1L0E 80  
A1L0E H39 H39 H 0 1 N N N N N N 102.162 126.271 93.506  10.974  0.053  -2.284 H39 A1L0E 81  
A1L0E H40 H40 H 0 1 N N N N N N 102.489 127.190 91.997  12.013  1.302  -1.555 H40 A1L0E 82  
A1L0E H41 H41 H 0 1 N N N N N N 101.810 125.529 91.909  12.710  0.106  -2.674 H41 A1L0E 83  
A1L0E H42 H42 H 0 1 N N N N N N 109.029 121.372 113.447 -10.258 0.309  2.485  H42 A1L0E 84  
A1L0E H43 H43 H 0 1 N N N N N N 110.359 121.462 112.242 -11.772 -0.060 3.345  H43 A1L0E 85  
A1L0E H44 H44 H 0 1 N N N N N N 109.728 119.864 112.767 -11.054 -1.265 2.249  H44 A1L0E 86  
A1L0E H45 H45 H 0 1 N N N N N N 103.583 124.233 94.049  12.998  -2.302 -1.906 H45 A1L0E 87  
A1L0E H46 H46 H 0 1 N N N N N N 103.180 123.578 92.426  12.317  -2.785 -0.334 H46 A1L0E 88  
A1L0E H47 H47 H 0 1 N N N N N N 104.898 123.755 92.922  11.235  -2.305 -1.663 H47 A1L0E 89  
A1L0E H48 H48 H 0 1 N N N N N N 111.086 120.012 116.215 -12.851 2.278  0.656  H48 A1L0E 90  
A1L0E H49 H49 H 0 1 N N N N N N 109.446 120.548 115.716 -12.820 2.008  2.416  H49 A1L0E 91  
A1L0E H50 H50 H 0 1 N N N N N N 110.141 119.037 115.039 -11.315 2.393  1.548  H50 A1L0E 92  
A1L0E H51 H51 H 0 1 N N N N N N 107.628 125.229 97.117  6.581   1.105  0.109  H51 A1L0E 93  
A1L0E H52 H52 H 0 1 N N N N N N 103.843 126.547 95.118  9.838   -2.077 0.049  H52 A1L0E 94  
A1L0E H53 H53 H 0 1 N N N N N N 105.888 125.405 99.661  5.084   -1.589 -0.292 H53 A1L0E 95  
A1L0E H54 H54 H 0 1 N N N N N N 108.774 124.653 99.184  4.195   1.359  -0.067 H54 A1L0E 96  
A1L0E H55 H55 H 0 1 N N N N N N 110.014 124.219 101.081 1.809   1.614  -0.243 H55 A1L0E 97  
A1L0E H56 H56 H 0 1 N N N N N N 108.620 124.166 103.831 0.313   -1.079 -0.645 H56 A1L0E 98  
A1L0E H57 H57 H 0 1 N N N N N N 105.327 127.562 88.634  15.028  2.232  1.324  H57 A1L0E 99  
A1L0E H58 H58 H 0 1 N N N N N N 112.648 122.271 117.613 -14.198 -3.506 0.681  H58 A1L0E 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 
A1L0E O40 C26 SING N N 1   
A1L0E C26 C25 SING N N 2   
A1L0E C26 C27 SING N N 3   
A1L0E C25 C24 SING N N 4   
A1L0E C27 C28 SING N N 5   
A1L0E C24 C36 SING N N 6   
A1L0E C24 C38 SING N N 7   
A1L0E C24 C1  SING N N 8   
A1L0E C28 C1  DOUB N N 9   
A1L0E C28 C35 SING N N 10  
A1L0E C1  C42 SING N N 11  
A1L0E C42 C2  DOUB N E 12  
A1L0E C2  C3  SING N N 13  
A1L0E C3  C20 SING N N 14  
A1L0E C3  C4  DOUB N E 15  
A1L0E C4  C5  SING N N 16  
A1L0E C5  C6  DOUB N E 17  
A1L0E C6  C7  SING N N 18  
A1L0E C7  C8  DOUB N E 19  
A1L0E C7  C21 SING N N 20  
A1L0E C8  C9  SING N N 21  
A1L0E C9  C10 DOUB N E 22  
A1L0E C10 C11 SING N N 23  
A1L0E C22 C12 SING N N 24  
A1L0E C11 C12 DOUB N E 25  
A1L0E C12 C13 SING N N 26  
A1L0E C13 C14 DOUB N E 27  
A1L0E C14 C15 SING N N 28  
A1L0E C15 C16 DOUB N E 29  
A1L0E C23 C16 SING N N 30  
A1L0E C16 C17 SING N N 31  
A1L0E C17 C18 SING N N 32  
A1L0E C18 C19 SING N N 33  
A1L0E C37 C29 SING N N 34  
A1L0E C19 C29 SING N N 35  
A1L0E C19 C33 SING N N 36  
A1L0E C29 C30 SING N N 37  
A1L0E C29 C39 SING N N 38  
A1L0E C34 C33 SING N N 39  
A1L0E C33 C32 DOUB N N 40  
A1L0E C30 C31 SING N N 41  
A1L0E C32 C31 SING N N 42  
A1L0E C31 O41 SING N N 43  
A1L0E C10 H1  SING N N 44  
A1L0E C11 H2  SING N N 45  
A1L0E C13 H3  SING N N 46  
A1L0E C14 H4  SING N N 47  
A1L0E C15 H5  SING N N 48  
A1L0E C17 H6  SING N N 49  
A1L0E C17 H7  SING N N 50  
A1L0E C18 H8  SING N N 51  
A1L0E C18 H9  SING N N 52  
A1L0E C19 H10 SING N N 53  
A1L0E C2  H11 SING N N 54  
A1L0E C20 H12 SING N N 55  
A1L0E C20 H13 SING N N 56  
A1L0E C20 H14 SING N N 57  
A1L0E C21 H15 SING N N 58  
A1L0E C21 H16 SING N N 59  
A1L0E C21 H17 SING N N 60  
A1L0E C22 H18 SING N N 61  
A1L0E C22 H19 SING N N 62  
A1L0E C22 H20 SING N N 63  
A1L0E C23 H21 SING N N 64  
A1L0E C23 H22 SING N N 65  
A1L0E C23 H23 SING N N 66  
A1L0E C25 H24 SING N N 67  
A1L0E C25 H25 SING N N 68  
A1L0E C26 H26 SING N N 69  
A1L0E C27 H27 SING N N 70  
A1L0E C27 H28 SING N N 71  
A1L0E C30 H29 SING N N 72  
A1L0E C30 H30 SING N N 73  
A1L0E C31 H31 SING N N 74  
A1L0E C32 H32 SING N N 75  
A1L0E C34 H33 SING N N 76  
A1L0E C34 H34 SING N N 77  
A1L0E C34 H35 SING N N 78  
A1L0E C35 H36 SING N N 79  
A1L0E C35 H37 SING N N 80  
A1L0E C35 H38 SING N N 81  
A1L0E C36 H39 SING N N 82  
A1L0E C36 H40 SING N N 83  
A1L0E C36 H41 SING N N 84  
A1L0E C37 H42 SING N N 85  
A1L0E C37 H43 SING N N 86  
A1L0E C37 H44 SING N N 87  
A1L0E C38 H45 SING N N 88  
A1L0E C38 H46 SING N N 89  
A1L0E C38 H47 SING N N 90  
A1L0E C39 H48 SING N N 91  
A1L0E C39 H49 SING N N 92  
A1L0E C39 H50 SING N N 93  
A1L0E C4  H51 SING N N 94  
A1L0E C42 H52 SING N N 95  
A1L0E C5  H53 SING N N 96  
A1L0E C6  H54 SING N N 97  
A1L0E C8  H55 SING N N 98  
A1L0E C9  H56 SING N N 99  
A1L0E O40 H57 SING N N 100 
A1L0E O41 H58 SING N N 101 
# 
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 
A1L0E InChI            InChI                1.06  "InChI=1S/C40H58O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-21,23,26,35-36,38,41-42H,22,24-25,27-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,29-15+,30-16+,31-19+,32-20+/t35-,36+,38+/m1/s1" 
A1L0E InChIKey         InChI                1.06  BVQZFYCQXRWKGU-KTHHOQBFSA-N                                                                                                                                                                                                                                                      
A1L0E SMILES_CANONICAL CACTVS               3.385 "CC(\CC[C@H]1C(=C[C@H](O)CC1(C)C)C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C[C@@H](O)CC2(C)C"                                                                                                                                                                             
A1L0E SMILES           CACTVS               3.385 "CC(CC[CH]1C(=C[CH](O)CC1(C)C)C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC2=C(C)C[CH](O)CC2(C)C"                                                                                                                                                                                          
A1L0E 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)/CC[C@H]2C(=C[C@@H](CC2(C)C)O)C)/C)/C"                                                                                                                                                                      
A1L0E 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)CCC2C(=CC(CC2(C)C)O)C)C)C"                                                                                                                                                                                                 
# 
_pdbx_chem_comp_identifier.comp_id           A1L0E 
_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        "(1~{R})-3,5,5-trimethyl-4-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E})-3,7,12,16-tetramethyl-18-[(1~{R},4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohex-2-en-1-yl]octadeca-1,3,5,7,9,11,13,15-octaenyl]cyclohex-3-en-1-ol" 
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
A1L0E "Create component" 2024-04-09 PDBJ 
A1L0E "Initial release"  2025-12-31 RCSB 
# 
_pdbx_chem_comp_synonyms.ordinal      1 
_pdbx_chem_comp_synonyms.comp_id      A1L0E 
_pdbx_chem_comp_synonyms.name         "7',8'-dihydrolutein" 
_pdbx_chem_comp_synonyms.provenance   AUTHOR 
_pdbx_chem_comp_synonyms.type         ? 
# 
