data_A1LYW
# 
_chem_comp.id                                    A1LYW 
_chem_comp.name                                  "[(1~{S},3~{S},6~{R})-1,5,5-trimethyl-6-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-7-oxabicyclo[4.1.0]heptan-3-yl] (~{Z})-oct-2-enoate" 
_chem_comp.type                                  non-polymer 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C48 H68 O4" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         
;3-octenoyl-8'-s-cis-antheraxanthin B
;
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2024-03-08 
_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                        709.051 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     A1LYW 
_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 
A1LYW C1  C1  C 0 1 N N N N N N 106.577 129.180 106.516 -9.899  2.669  -0.190 C1  A1LYW 1   
A1LYW C10 C2  C 0 1 N N N N N N 102.748 127.301 105.854 -8.453  -0.970 1.671  C10 A1LYW 2   
A1LYW C11 C3  C 0 1 N N N N N N 105.100 125.637 105.858 -6.639  0.601  0.053  C11 A1LYW 3   
A1LYW C12 C4  C 0 1 N N N N N N 104.915 124.606 106.657 -5.460  1.118  0.413  C12 A1LYW 4   
A1LYW C13 C5  C 0 1 N N N N N N 104.893 123.184 106.373 -4.256  0.479  0.024  C13 A1LYW 5   
A1LYW C14 C6  C 0 1 N N N N N N 104.821 122.320 107.413 -3.058  1.005  0.390  C14 A1LYW 6   
A1LYW C15 C7  C 0 1 N N N N N N 104.831 120.902 107.376 -1.864  0.371  0.004  C15 A1LYW 7   
A1LYW C16 C8  C 0 1 N N N N N N 104.797 120.157 108.485 -0.661  0.900  0.372  C16 A1LYW 8   
A1LYW C17 C9  C 0 1 N N N N N N 104.817 118.708 108.567 0.530   0.268  -0.013 C17 A1LYW 9   
A1LYW C18 C10 C 0 1 N N N N N N 104.936 118.118 109.779 1.743   0.801  0.358  C18 A1LYW 10  
A1LYW C19 C11 C 0 1 N N N N N N 105.089 116.737 110.050 2.932   0.169  -0.026 C19 A1LYW 11  
A1LYW C2  C12 C 0 1 N N S N N N 105.474 129.936 105.810 -10.747 1.400  -0.046 C2  A1LYW 12  
A1LYW C20 C13 C 0 1 N N N N N N 105.345 116.227 111.272 4.147   0.703  0.345  C20 A1LYW 13  
A1LYW C21 C14 C 0 1 N N N N N N 105.506 114.842 111.477 5.336   0.072  -0.039 C21 A1LYW 14  
A1LYW C22 C15 C 0 1 N N N N N N 105.816 114.190 112.623 6.551   0.606  0.332  C22 A1LYW 15  
A1LYW C23 C16 C 0 1 N N N N N N 105.991 112.757 112.549 7.740   -0.026 -0.052 C23 A1LYW 16  
A1LYW C24 C17 C 0 1 N N N N N N 106.484 111.912 113.453 8.954   0.507  0.319  C24 A1LYW 17  
A1LYW C25 C18 C 0 1 N N N N N N 106.516 110.577 113.069 10.144  -0.125 -0.066 C25 A1LYW 18  
A1LYW C26 C19 C 0 1 N N N N N N 106.895 109.482 113.761 11.347  0.404  0.302  C26 A1LYW 19  
A1LYW C27 C20 C 0 1 N N N N N N 106.770 108.232 113.055 12.541  -0.230 -0.084 C27 A1LYW 20  
A1LYW C28 C21 C 0 1 N N N N N N 106.303 108.259 111.820 13.740  0.296  0.282  C28 A1LYW 21  
A1LYW C29 C22 C 0 1 N N N N N N 106.039 107.344 110.814 14.938  -0.406 -0.001 C29 A1LYW 22  
A1LYW C3  C23 C 0 1 N N N N N N 104.134 129.395 106.256 -10.376 0.711  1.267  C3  A1LYW 23  
A1LYW C30 C24 C 0 1 N N N N N N 104.984 122.747 104.938 -4.305  -0.785 -0.796 C30 A1LYW 24  
A1LYW C31 C25 C 0 1 N N N N N N 104.796 117.928 107.284 0.481   -0.996 -0.832 C31 A1LYW 25  
A1LYW C32 C26 C 0 1 N N N N N N 106.031 114.872 113.944 6.600   1.869  1.152  C32 A1LYW 26  
A1LYW C33 C27 C 0 1 N N N N N N 107.403 109.483 115.175 11.396  1.667  1.122  C33 A1LYW 27  
A1LYW C35 C28 C 0 1 N N N N N N 106.855 107.592 109.544 15.995  0.294  -0.805 C35 A1LYW 28  
A1LYW C36 C29 C 0 1 N N N N N N 106.609 106.545 108.448 16.997  -0.723 -1.356 C36 A1LYW 29  
A1LYW C37 C30 C 0 1 N N R N N N 105.198 105.985 108.426 17.458  -1.626 -0.205 C37 A1LYW 30  
A1LYW C38 C31 C 0 1 N N N N N N 104.873 105.407 109.790 16.277  -2.493 0.236  C38 A1LYW 31  
A1LYW C39 C32 C 0 1 N N N N N N 105.089 106.398 110.904 15.064  -1.638 0.463  C39 A1LYW 32  
A1LYW C4  C33 C 0 1 N N S N N N 104.081 127.878 106.281 -8.871  0.460  1.322  C4  A1LYW 33  
A1LYW C40 C34 C 0 1 N N N N N N 108.350 107.566 109.883 16.730  1.297  0.086  C40 A1LYW 34  
A1LYW C41 C35 C 0 1 N N N N N N 106.516 108.979 108.985 15.338  1.036  -1.970 C41 A1LYW 35  
A1LYW C43 C36 C 0 1 N N N N N N 104.162 106.233 112.075 13.930  -2.213 1.271  C43 A1LYW 36  
A1LYW C44 C37 C 0 1 N N N N N N 105.422 132.280 105.341 -13.022 0.838  -0.505 C44 A1LYW 37  
A1LYW C46 C38 C 0 1 N N N N N N 105.674 133.609 105.922 -14.462 1.128  -0.520 C46 A1LYW 38  
A1LYW C47 C39 C 0 1 N N N N N N 105.571 134.757 105.276 -15.329 0.179  -0.864 C47 A1LYW 39  
A1LYW C48 C40 C 0 1 N N N N N N 105.167 134.963 103.851 -14.873 -1.253 -0.976 C48 A1LYW 40  
A1LYW C49 C41 C 0 1 N N N N N N 106.356 135.212 102.936 -15.850 -2.160 -0.226 C49 A1LYW 41  
A1LYW C5  C42 C 0 1 N N R N N N 105.292 127.055 106.338 -7.918  1.281  0.467  C5  A1LYW 42  
A1LYW C50 C43 C 0 1 N N N N N N 105.974 135.740 101.567 -15.387 -3.614 -0.340 C50 A1LYW 43  
A1LYW C51 C44 C 0 1 N N N N N N 107.160 136.103 100.695 -16.364 -4.521 0.410  C51 A1LYW 44  
A1LYW C52 C45 C 0 1 N N N N N N 106.762 136.851 99.458  -15.901 -5.975 0.296  C52 A1LYW 45  
A1LYW C6  C46 C 0 1 N N N N N N 106.647 127.689 106.127 -8.469  2.266  -0.553 C6  A1LYW 46  
A1LYW C7  C47 C 0 1 N N N N N N 107.120 127.583 104.671 -8.478  1.611  -1.935 C7  A1LYW 47  
A1LYW C8  C48 C 0 1 N N N N N N 107.715 127.016 106.998 -7.575  3.507  -0.589 C8  A1LYW 48  
A1LYW O34 O1  O 0 1 N N N N N N 104.581 127.394 107.565 -8.076  1.531  1.856  O34 A1LYW 49  
A1LYW O42 O2  O 0 1 N N N N N N 104.269 107.022 108.105 18.527  -2.463 -0.650 O42 A1LYW 50  
A1LYW O45 O3  O 0 1 N N N N N N 105.088 132.057 104.203 -12.612 -0.228 -0.921 O45 A1LYW 51  
A1LYW O9  O4  O 0 1 N N N N N N 105.598 131.318 106.256 -12.155 1.754  -0.030 O9  A1LYW 52  
A1LYW H1  H1  H 0 1 N N N N N N 107.539 129.651 106.264 -10.312 3.298  -0.977 H1  A1LYW 53  
A1LYW H2  H2  H 0 1 N N N N N N 106.408 129.249 107.601 -9.896  3.216  0.753  H2  A1LYW 54  
A1LYW H3  H3  H 0 1 N N N N N N 102.792 126.203 105.899 -8.434  -1.575 0.764  H3  A1LYW 55  
A1LYW H4  H4  H 0 1 N N N N N N 101.958 127.665 106.528 -7.460  -0.959 2.121  H4  A1LYW 56  
A1LYW H5  H5  H 0 1 N N N N N N 102.525 127.617 104.824 -9.167  -1.396 2.376  H5  A1LYW 57  
A1LYW H6  H6  H 0 1 N N N N N N 105.115 125.456 104.793 -6.674  -0.305 -0.534 H6  A1LYW 58  
A1LYW H7  H7  H 0 1 N N N N N N 104.753 124.862 107.694 -5.425  2.024  1.001  H7  A1LYW 59  
A1LYW H8  H8  H 0 1 N N N N N N 104.747 122.766 108.394 -3.023  1.911  0.978  H8  A1LYW 60  
A1LYW H9  H9  H 0 1 N N N N N N 104.867 120.407 106.417 -1.899  -0.534 -0.583 H9  A1LYW 61  
A1LYW H10 H10 H 0 1 N N N N N N 104.749 120.691 109.422 -0.626  1.806  0.960  H10 A1LYW 62  
A1LYW H11 H11 H 0 1 N N N N N N 104.911 118.775 110.636 1.779   1.707  0.946  H11 A1LYW 63  
A1LYW H12 H12 H 0 1 N N N N N N 104.995 116.047 109.225 2.897   -0.736 -0.613 H12 A1LYW 64  
A1LYW H13 H13 H 0 1 N N N N N N 105.583 129.853 104.719 -10.548 0.730  -0.883 H13 A1LYW 65  
A1LYW H14 H14 H 0 1 N N N N N N 105.429 116.897 112.115 4.182   1.609  0.933  H14 A1LYW 66  
A1LYW H15 H15 H 0 1 N N N N N N 105.364 114.219 110.606 5.301   -0.834 -0.626 H15 A1LYW 67  
A1LYW H16 H16 H 0 1 N N N N N N 105.674 112.303 111.621 7.705   -0.932 -0.639 H16 A1LYW 68  
A1LYW H17 H17 H 0 1 N N N N N N 106.835 112.242 114.419 8.989   1.413  0.907  H17 A1LYW 69  
A1LYW H18 H18 H 0 1 N N N N N N 106.186 110.386 112.059 10.109  -1.031 -0.653 H18 A1LYW 70  
A1LYW H19 H19 H 0 1 N N N N N N 107.050 107.300 113.523 12.506  -1.136 -0.671 H19 A1LYW 71  
A1LYW H20 H20 H 0 1 N N N N N N 106.062 109.265 111.511 13.778  1.249  0.789  H20 A1LYW 72  
A1LYW H21 H21 H 0 1 N N N N N N 103.925 129.769 107.269 -10.667 1.347  2.103  H21 A1LYW 73  
A1LYW H22 H22 H 0 1 N N N N N N 103.361 129.761 105.564 -10.904 -0.240 1.338  H22 A1LYW 74  
A1LYW H23 H23 H 0 1 N N N N N N 104.955 121.649 104.886 -4.299  -0.530 -1.856 H23 A1LYW 75  
A1LYW H24 H24 H 0 1 N N N N N N 104.137 123.163 104.374 -3.437  -1.401 -0.565 H24 A1LYW 76  
A1LYW H25 H25 H 0 1 N N N N N N 105.927 123.110 104.504 -5.215  -1.336 -0.559 H25 A1LYW 77  
A1LYW H26 H26 H 0 1 N N N N N N 104.815 116.851 107.508 0.487   -0.742 -1.892 H26 A1LYW 78  
A1LYW H27 H27 H 0 1 N N N N N N 103.881 118.170 106.723 1.349   -1.613 -0.601 H27 A1LYW 79  
A1LYW H28 H28 H 0 1 N N N N N N 105.677 118.192 106.680 -0.430  -1.547 -0.596 H28 A1LYW 80  
A1LYW H29 H29 H 0 1 N N N N N N 106.270 114.120 114.711 6.593   1.615  2.212  H29 A1LYW 81  
A1LYW H30 H30 H 0 1 N N N N N N 106.864 115.585 113.857 7.510   2.420  0.916  H30 A1LYW 82  
A1LYW H31 H31 H 0 1 N N N N N N 105.116 115.411 114.231 5.731   2.486  0.921  H31 A1LYW 83  
A1LYW H32 H32 H 0 1 N N N N N N 107.433 110.515 115.554 11.390  1.413  2.182  H32 A1LYW 84  
A1LYW H33 H33 H 0 1 N N N N N N 106.733 108.880 115.806 12.307  2.219  0.886  H33 A1LYW 85  
A1LYW H34 H34 H 0 1 N N N N N N 108.415 109.054 115.201 10.528  2.284  0.891  H34 A1LYW 86  
A1LYW H35 H35 H 0 1 N N N N N N 107.309 105.711 108.605 16.518  -1.328 -2.126 H35 A1LYW 87  
A1LYW H36 H36 H 0 1 N N N N N N 106.809 107.013 107.473 17.853  -0.200 -1.781 H36 A1LYW 88  
A1LYW H37 H37 H 0 1 N N N N N N 105.144 105.182 107.676 17.793  -1.012 0.630  H37 A1LYW 89  
A1LYW H38 H38 H 0 1 N N N N N N 103.819 105.092 109.798 16.060  -3.229 -0.538 H38 A1LYW 90  
A1LYW H39 H39 H 0 1 N N N N N N 105.518 104.533 109.965 16.533  -3.009 1.161  H39 A1LYW 91  
A1LYW H40 H40 H 0 1 N N N N N N 108.561 108.307 110.668 17.195  0.771  0.919  H40 A1LYW 92  
A1LYW H41 H41 H 0 1 N N N N N N 108.627 106.564 110.241 17.498  1.806  -0.496 H41 A1LYW 93  
A1LYW H42 H42 H 0 1 N N N N N N 108.934 107.808 108.983 16.020  2.030  0.470  H42 A1LYW 94  
A1LYW H43 H43 H 0 1 N N N N N N 106.688 109.740 109.761 16.109  1.473  -2.604 H43 A1LYW 95  
A1LYW H44 H44 H 0 1 N N N N N N 107.156 109.190 108.116 14.739  0.338  -2.555 H44 A1LYW 96  
A1LYW H45 H45 H 0 1 N N N N N N 105.460 109.002 108.677 14.696  1.827  -1.581 H45 A1LYW 97  
A1LYW H46 H46 H 0 1 N N N N N N 104.391 106.995 112.835 13.185  -2.639 0.599  H46 A1LYW 98  
A1LYW H47 H47 H 0 1 N N N N N N 103.122 106.352 111.739 14.312  -2.992 1.931  H47 A1LYW 99  
A1LYW H48 H48 H 0 1 N N N N N N 104.294 105.231 112.509 13.472  -1.424 1.867  H48 A1LYW 100 
A1LYW H49 H49 H 0 1 N N N N N N 105.967 133.649 106.961 -14.818 2.112  -0.250 H49 A1LYW 101 
A1LYW H50 H50 H 0 1 N N N N N N 105.805 135.647 105.841 -16.359 0.434  -1.064 H50 A1LYW 102 
A1LYW H51 H51 H 0 1 N N N N N N 104.494 135.831 103.798 -14.841 -1.543 -2.027 H51 A1LYW 103 
A1LYW H52 H52 H 0 1 N N N N N N 104.636 134.065 103.502 -13.878 -1.353 -0.542 H52 A1LYW 104 
A1LYW H53 H53 H 0 1 N N N N N N 106.896 134.263 102.803 -15.882 -1.870 0.824  H53 A1LYW 105 
A1LYW H54 H54 H 0 1 N N N N N N 107.018 135.946 103.419 -16.845 -2.061 -0.661 H54 A1LYW 106 
A1LYW H55 H55 H 0 1 N N N N N N 105.356 136.640 101.703 -15.355 -3.904 -1.390 H55 A1LYW 107 
A1LYW H56 H56 H 0 1 N N N N N N 105.387 134.967 101.049 -14.392 -3.714 0.094  H56 A1LYW 108 
A1LYW H57 H57 H 0 1 N N N N N N 107.674 135.177 100.396 -16.396 -4.231 1.460  H57 A1LYW 109 
A1LYW H58 H58 H 0 1 N N N N N N 107.848 136.731 101.280 -17.359 -4.422 -0.025 H58 A1LYW 110 
A1LYW H59 H59 H 0 1 N N N N N N 107.659 137.087 98.867  -15.869 -6.265 -0.754 H59 A1LYW 111 
A1LYW H60 H60 H 0 1 N N N N N N 106.080 136.231 98.858  -14.906 -6.074 0.731  H60 A1LYW 112 
A1LYW H61 H61 H 0 1 N N N N N N 106.254 137.785 99.742  -16.597 -6.621 0.830  H61 A1LYW 113 
A1LYW H62 H62 H 0 1 N N N N N N 108.107 128.057 104.570 -9.106  0.720  -1.911 H62 A1LYW 114 
A1LYW H63 H63 H 0 1 N N N N N N 107.192 126.523 104.385 -8.872  2.314  -2.668 H63 A1LYW 115 
A1LYW H64 H64 H 0 1 N N N N N N 106.400 128.092 104.014 -7.461  1.330  -2.211 H64 A1LYW 116 
A1LYW H65 H65 H 0 1 N N N N N N 107.414 127.070 108.055 -6.563  3.218  -0.871 H65 A1LYW 117 
A1LYW H66 H66 H 0 1 N N N N N N 107.820 125.962 106.700 -7.967  4.216  -1.319 H66 A1LYW 118 
A1LYW H67 H67 H 0 1 N N N N N N 108.677 127.533 106.864 -7.559  3.972  0.397  H67 A1LYW 119 
A1LYW H68 H68 H 0 1 N N N N N N 103.388 106.666 108.093 18.868  -3.060 0.029  H68 A1LYW 120 
# 
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 
A1LYW C52 C51 SING N N 1   
A1LYW C51 C50 SING N N 2   
A1LYW C50 C49 SING N N 3   
A1LYW C49 C48 SING N N 4   
A1LYW C48 C47 SING N N 5   
A1LYW O45 C44 DOUB N N 6   
A1LYW C7  C6  SING N N 7   
A1LYW C30 C13 SING N N 8   
A1LYW C47 C46 DOUB N Z 9   
A1LYW C44 C46 SING N N 10  
A1LYW C44 O9  SING N N 11  
A1LYW C2  O9  SING N N 12  
A1LYW C2  C3  SING N N 13  
A1LYW C2  C1  SING N N 14  
A1LYW C10 C4  SING N N 15  
A1LYW C11 C5  SING N N 16  
A1LYW C11 C12 DOUB N E 17  
A1LYW C6  C5  SING N N 18  
A1LYW C6  C1  SING N N 19  
A1LYW C6  C8  SING N N 20  
A1LYW C3  C4  SING N N 21  
A1LYW C4  C5  SING N N 22  
A1LYW C4  O34 SING N N 23  
A1LYW C5  O34 SING N N 24  
A1LYW C13 C12 SING N N 25  
A1LYW C13 C14 DOUB N E 26  
A1LYW C31 C17 SING N N 27  
A1LYW C15 C14 SING N N 28  
A1LYW C15 C16 DOUB N E 29  
A1LYW O42 C37 SING N N 30  
A1LYW C37 C36 SING N N 31  
A1LYW C37 C38 SING N N 32  
A1LYW C36 C35 SING N N 33  
A1LYW C16 C17 SING N N 34  
A1LYW C17 C18 DOUB N E 35  
A1LYW C41 C35 SING N N 36  
A1LYW C35 C40 SING N N 37  
A1LYW C35 C29 SING N N 38  
A1LYW C18 C19 SING N N 39  
A1LYW C38 C39 SING N N 40  
A1LYW C19 C20 DOUB N E 41  
A1LYW C29 C39 DOUB N N 42  
A1LYW C29 C28 SING N N 43  
A1LYW C39 C43 SING N N 44  
A1LYW C20 C21 SING N N 45  
A1LYW C21 C22 DOUB N E 46  
A1LYW C28 C27 DOUB N E 47  
A1LYW C23 C22 SING N N 48  
A1LYW C23 C24 DOUB N E 49  
A1LYW C22 C32 SING N N 50  
A1LYW C27 C26 SING N N 51  
A1LYW C25 C24 SING N N 52  
A1LYW C25 C26 DOUB N E 53  
A1LYW C26 C33 SING N N 54  
A1LYW C1  H1  SING N N 55  
A1LYW C1  H2  SING N N 56  
A1LYW C10 H3  SING N N 57  
A1LYW C10 H4  SING N N 58  
A1LYW C10 H5  SING N N 59  
A1LYW C11 H6  SING N N 60  
A1LYW C12 H7  SING N N 61  
A1LYW C14 H8  SING N N 62  
A1LYW C15 H9  SING N N 63  
A1LYW C16 H10 SING N N 64  
A1LYW C18 H11 SING N N 65  
A1LYW C19 H12 SING N N 66  
A1LYW C2  H13 SING N N 67  
A1LYW C20 H14 SING N N 68  
A1LYW C21 H15 SING N N 69  
A1LYW C23 H16 SING N N 70  
A1LYW C24 H17 SING N N 71  
A1LYW C25 H18 SING N N 72  
A1LYW C27 H19 SING N N 73  
A1LYW C28 H20 SING N N 74  
A1LYW C3  H21 SING N N 75  
A1LYW C3  H22 SING N N 76  
A1LYW C30 H23 SING N N 77  
A1LYW C30 H24 SING N N 78  
A1LYW C30 H25 SING N N 79  
A1LYW C31 H26 SING N N 80  
A1LYW C31 H27 SING N N 81  
A1LYW C31 H28 SING N N 82  
A1LYW C32 H29 SING N N 83  
A1LYW C32 H30 SING N N 84  
A1LYW C32 H31 SING N N 85  
A1LYW C33 H32 SING N N 86  
A1LYW C33 H33 SING N N 87  
A1LYW C33 H34 SING N N 88  
A1LYW C36 H35 SING N N 89  
A1LYW C36 H36 SING N N 90  
A1LYW C37 H37 SING N N 91  
A1LYW C38 H38 SING N N 92  
A1LYW C38 H39 SING N N 93  
A1LYW C40 H40 SING N N 94  
A1LYW C40 H41 SING N N 95  
A1LYW C40 H42 SING N N 96  
A1LYW C41 H43 SING N N 97  
A1LYW C41 H44 SING N N 98  
A1LYW C41 H45 SING N N 99  
A1LYW C43 H46 SING N N 100 
A1LYW C43 H47 SING N N 101 
A1LYW C43 H48 SING N N 102 
A1LYW C46 H49 SING N N 103 
A1LYW C47 H50 SING N N 104 
A1LYW C48 H51 SING N N 105 
A1LYW C48 H52 SING N N 106 
A1LYW C49 H53 SING N N 107 
A1LYW C49 H54 SING N N 108 
A1LYW C50 H55 SING N N 109 
A1LYW C50 H56 SING N N 110 
A1LYW C51 H57 SING N N 111 
A1LYW C51 H58 SING N N 112 
A1LYW C52 H59 SING N N 113 
A1LYW C52 H60 SING N N 114 
A1LYW C52 H61 SING N N 115 
A1LYW C7  H62 SING N N 116 
A1LYW C7  H63 SING N N 117 
A1LYW C7  H64 SING N N 118 
A1LYW C8  H65 SING N N 119 
A1LYW C8  H66 SING N N 120 
A1LYW C8  H67 SING N N 121 
A1LYW O42 H68 SING N N 122 
# 
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 
A1LYW InChI            InChI                1.06  "InChI=1S/C48H68O4/c1-12-13-14-15-16-27-44(50)51-42-34-46(9,10)48(47(11,35-42)52-48)31-30-39(5)26-20-24-37(3)22-18-17-21-36(2)23-19-25-38(4)28-29-43-40(6)32-41(49)33-45(43,7)8/h16-31,41-42,49H,12-15,32-35H2,1-11H3/b18-17+,23-19+,24-20+,27-16-,29-28+,31-30+,36-21+,37-22+,38-25+,39-26+/t41-,42+,47+,48-/m1/s1" 
A1LYW InChIKey         InChI                1.06  RYRZHZDRYZHUCF-CKQNEJSZSA-N                                                                                                                                                                                                                                                                                          
A1LYW SMILES_CANONICAL CACTVS               3.385 "CCCCC\C=C/C(=O)O[C@H]1CC(C)(C)[C@]2(O[C@@]2(C)C1)\C=C\C(C)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C3=C(C)C[C@@H](O)CC3(C)C"                                                                                                                                                                                         
A1LYW SMILES           CACTVS               3.385 "CCCCCC=CC(=O)O[CH]1CC(C)(C)[C]2(O[C]2(C)C1)C=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC3=C(C)C[CH](O)CC3(C)C"                                                                                                                                                                                                           
A1LYW SMILES_CANONICAL "OpenEye OEToolkits" 2.0.7 "CCCCC/C=C\C(=O)O[C@@H]1C[C@]2([C@](O2)(C(C1)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C3=C(C[C@H](CC3(C)C)O)C)/C)/C)C"                                                                                                                                                                                    
A1LYW SMILES           "OpenEye OEToolkits" 2.0.7 "CCCCCC=CC(=O)OC1CC(C2(C(C1)(O2)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC3=C(CC(CC3(C)C)O)C)C)C)(C)C"                                                                                                                                                                                                                   
# 
_pdbx_chem_comp_identifier.comp_id           A1LYW 
_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~{S},3~{S},6~{R})-1,5,5-trimethyl-6-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-7-oxabicyclo[4.1.0]heptan-3-yl] (~{Z})-oct-2-enoate" 
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
A1LYW "Create component" 2024-03-08 PDBJ 
A1LYW "Initial release"  2025-12-31 RCSB 
# 
_pdbx_chem_comp_synonyms.ordinal      1 
_pdbx_chem_comp_synonyms.comp_id      A1LYW 
_pdbx_chem_comp_synonyms.name         
;3-octenoyl-8'-s-cis-antheraxanthin B
;
_pdbx_chem_comp_synonyms.provenance   AUTHOR 
_pdbx_chem_comp_synonyms.type         ? 
# 
