data_A1LYY
# 
_chem_comp.id                                    A1LYY 
_chem_comp.name                                  "(5~{Z})-3-[2-[(1~{R},4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohex-2-en-1-yl]ethyl]-5-[(2~{E},4~{E},6~{E},8~{E},10~{E},12~{E})-2,7,11-trimethyl-13-[(1~{S},4~{S},6~{R})-2,2,6-trimethyl-4-oxidanyl-7-oxabicyclo[4.1.0]heptan-1-yl]trideca-2,4,6,8,10,12-hexaenylidene]furan-2-one" 
_chem_comp.type                                  non-polymer 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C40 H54 O5" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         Uriolide 
_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                        614.854 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     A1LYY 
_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 
A1LYY C6  C1  C 0 1 N N N N N N 92.420  107.984 100.407 -4.061  0.021  0.160  C6  A1LYY 1  
A1LYY C2  C2  C 0 1 N N N N N N 89.657  106.135 103.939 -8.850  -0.032 -0.218 C2  A1LYY 2  
A1LYY C3  C3  C 0 1 N N N N N N 90.112  106.012 102.560 -7.639  -0.631 0.210  C3  A1LYY 3  
A1LYY C4  C4  C 0 1 N N N N N N 90.937  106.965 102.057 -6.453  -0.010 -0.027 C4  A1LYY 4  
A1LYY C5  C5  C 0 1 N N N N N N 91.551  107.017 100.753 -5.252  -0.603 0.398  C5  A1LYY 5  
A1LYY C7  C6  C 0 1 N N N N N N 93.128  108.147 99.143  -2.864  -0.574 0.578  C7  A1LYY 6  
A1LYY C8  C7  C 0 1 N N N N N N 94.096  109.093 99.058  -1.661  0.056  0.338  C8  A1LYY 7  
A1LYY C1  C8  C 0 1 N N S N N N 88.973  105.447 106.252 -11.304 -0.006 -0.441 C1  A1LYY 8  
A1LYY C10 C9  C 0 1 N N N N N N 95.913  110.353 98.026  0.739   0.093  0.515  C10 A1LYY 9  
A1LYY C11 C10 C 0 1 N N N N N N 96.857  110.701 97.006  1.933   -0.499 0.932  C11 A1LYY 10 
A1LYY C12 C11 C 0 1 N N N N N N 97.802  111.670 97.068  3.139   0.132  0.691  C12 A1LYY 11 
A1LYY C13 C12 C 0 1 N N N N N N 98.699  111.826 95.924  4.330   -0.459 1.107  C13 A1LYY 12 
A1LYY C14 C13 C 0 1 N N N N N N 99.457  112.880 95.535  5.530   0.227  0.973  C14 A1LYY 13 
A1LYY C15 C14 C 0 1 N N N N N N 100.187 113.058 94.297  6.807   -0.295 1.222  C15 A1LYY 14 
A1LYY C16 C15 C 0 1 N N N N N N 100.792 114.253 94.298  7.712   0.713  0.967  C16 A1LYY 15 
A1LYY C17 C16 C 0 1 N N N N N N 101.669 114.910 93.264  9.210   0.624  1.094  C17 A1LYY 16 
A1LYY C18 C17 C 0 1 N N N N N N 100.952 116.017 92.485  9.819   0.286  -0.268 C18 A1LYY 17 
A1LYY C19 C18 C 0 1 N N R N N N 101.722 116.534 91.256  11.346  0.327  -0.169 C19 A1LYY 18 
A1LYY C20 C19 C 0 1 N N N N N N 89.674  104.805 101.778 -7.666  -1.956 0.928  C20 A1LYY 19 
A1LYY C21 C20 C 0 1 N N N N N N 92.794  107.207 98.017  -2.890  -1.901 1.290  C21 A1LYY 20 
A1LYY C22 C21 C 0 1 N N N N N N 97.960  112.552 98.275  3.165   1.460  -0.021 C22 A1LYY 21 
A1LYY C23 C22 C 0 1 N N N N N N 100.455 114.888 95.576  6.974   1.837  0.565  C23 A1LYY 22 
A1LYY C24 C23 C 0 1 N N N N N N 89.712  104.420 107.102 -11.983 0.909  0.577  C24 A1LYY 23 
A1LYY C25 C24 C 0 1 N N N N N N 89.085  104.325 108.509 -13.453 0.521  0.736  C25 A1LYY 24 
A1LYY C26 C25 C 0 1 N N S N N N 88.623  105.648 109.093 -14.113 0.532  -0.647 C26 A1LYY 25 
A1LYY C27 C26 C 0 1 N N N N N N 87.457  106.169 108.273 -13.647 -0.702 -1.421 C27 A1LYY 26 
A1LYY C28 C27 C 0 1 N N R N N N 87.830  106.300 106.812 -12.129 -0.753 -1.478 C28 A1LYY 27 
A1LYY C29 C28 C 0 1 N N N N N N 101.874 118.080 91.208  11.943  0.412  -1.575 C29 A1LYY 28 
A1LYY C30 C29 C 0 1 N N N N N N 102.480 118.539 89.867  13.458  0.191  -1.473 C30 A1LYY 29 
A1LYY C31 C30 C 0 1 N N R N N N 101.727 118.037 88.686  13.707  -1.258 -1.046 C31 A1LYY 30 
A1LYY C32 C31 C 0 1 N N N N N N 101.324 116.606 88.816  12.862  -1.598 0.146  C32 A1LYY 31 
A1LYY C33 C32 C 0 1 N N N N N N 101.197 115.942 89.959  11.833  -0.913 0.522  C33 A1LYY 32 
A1LYY C34 C33 C 0 1 N N N N N N 100.554 114.586 90.020  11.075  -1.385 1.737  C34 A1LYY 33 
A1LYY C35 C34 C 0 1 N N N N N N 86.759  106.874 105.910 -11.548 -2.076 -1.979 C35 A1LYY 34 
A1LYY C36 C35 C 0 1 N N N N N N 91.192  104.798 107.241 -11.889 2.359  0.098  C36 A1LYY 35 
A1LYY C37 C36 C 0 1 N N N N N N 100.509 118.757 91.383  11.324  -0.668 -2.463 C37 A1LYY 36 
A1LYY C38 C37 C 0 1 N N N N N N 89.653  103.030 106.455 -11.277 0.775  1.928  C38 A1LYY 37 
A1LYY C39 C38 C 0 1 N N N N N N 102.783 118.559 92.348  11.660  1.793  -2.171 C39 A1LYY 38 
A1LYY C42 C39 C 0 1 N N N N N N 89.043  105.291 104.752 -10.017 -0.642 0.014  C42 A1LYY 39 
A1LYY C9  C40 C 0 1 N N N N N N 94.986  109.366 97.960  -0.466  -0.537 0.755  C9  A1LYY 40 
A1LYY O40 O1  O 0 1 N N N N N N 88.259  105.483 110.463 -15.535 0.497  -0.501 O40 A1LYY 41 
A1LYY O41 O2  O 0 1 N N N N N N 102.493 118.265 87.498  15.087  -1.419 -0.711 O41 A1LYY 42 
A1LYY O43 O3  O 0 1 N N N N N N 100.762 115.969 96.009  7.439   2.922  0.257  O43 A1LYY 43 
A1LYY O44 O4  O 0 1 N N N N N N 99.642  114.019 96.299  5.668   1.514  0.573  O44 A1LYY 44 
A1LYY O45 O5  O 0 1 N N N N N N 89.174  106.815 106.596 -11.388 0.414  -1.812 O45 A1LYY 45 
A1LYY H1  H1  H 0 1 N N N N N N 92.618  108.733 101.160 -4.041  0.970  -0.354 H1  A1LYY 46 
A1LYY H2  H2  H 0 1 N N N N N N 89.860  107.099 104.382 -8.831  0.918  -0.733 H2  A1LYY 47 
A1LYY H3  H3  H 0 1 N N N N N N 91.162  107.789 102.717 -6.434  0.940  -0.541 H3  A1LYY 48 
A1LYY H4  H4  H 0 1 N N N N N N 91.305  106.254 100.030 -5.272  -1.553 0.912  H4  A1LYY 49 
A1LYY H5  H5  H 0 1 N N N N N N 94.215  109.723 99.927  -1.642  1.008  -0.172 H5  A1LYY 50 
A1LYY H6  H6  H 0 1 N N N N N N 95.943  110.934 98.936  0.758   1.045  0.005  H6  A1LYY 51 
A1LYY H7  H7  H 0 1 N N N N N N 96.810  110.130 96.090  1.913   -1.451 1.442  H7  A1LYY 52 
A1LYY H8  H8  H 0 1 N N N N N N 98.769  110.959 95.284  4.320   -1.451 1.534  H8  A1LYY 53 
A1LYY H9  H9  H 0 1 N N N N N N 100.236 112.337 93.495  7.038   -1.297 1.551  H9  A1LYY 54 
A1LYY H10 H10 H 0 1 N N N N N N 102.006 114.142 92.552  9.603   1.580  1.441  H10 A1LYY 55 
A1LYY H11 H11 H 0 1 N N N N N N 102.541 115.348 93.772  9.469   -0.155 1.811  H11 A1LYY 56 
A1LYY H12 H12 H 0 1 N N N N N N 100.785 116.864 93.167  9.501   -0.712 -0.570 H12 A1LYY 57 
A1LYY H13 H13 H 0 1 N N N N N N 99.983  115.624 92.143  9.484   1.013  -1.007 H13 A1LYY 58 
A1LYY H14 H14 H 0 1 N N N N N N 102.745 116.145 91.367  11.647  1.202  0.406  H14 A1LYY 59 
A1LYY H15 H15 H 0 1 N N N N N N 89.011  104.185 102.400 -7.596  -2.764 0.200  H15 A1LYY 60 
A1LYY H16 H16 H 0 1 N N N N N N 89.133  105.129 100.876 -6.824  -2.013 1.617  H16 A1LYY 61 
A1LYY H17 H17 H 0 1 N N N N N N 90.557  104.218 101.485 -8.598  -2.048 1.485  H17 A1LYY 62 
A1LYY H18 H18 H 0 1 N N N N N N 91.979  106.537 98.328  -2.822  -2.707 0.559  H18 A1LYY 63 
A1LYY H19 H19 H 0 1 N N N N N N 92.477  107.787 97.137  -2.046  -1.962 1.977  H19 A1LYY 64 
A1LYY H20 H20 H 0 1 N N N N N N 93.682  106.610 97.762  -3.821  -1.995 1.849  H20 A1LYY 65 
A1LYY H21 H21 H 0 1 N N N N N N 97.200  112.287 99.025  3.049   2.264  0.706  H21 A1LYY 66 
A1LYY H22 H22 H 0 1 N N N N N N 98.963  112.411 98.703  4.116   1.575  -0.541 H22 A1LYY 67 
A1LYY H23 H23 H 0 1 N N N N N N 97.832  113.604 97.980  2.349   1.502  -0.743 H23 A1LYY 68 
A1LYY H24 H24 H 0 1 N N N N N N 88.215  103.655 108.451 -13.524 -0.477 1.167  H24 A1LYY 69 
A1LYY H25 H25 H 0 1 N N N N N N 89.835  103.894 109.189 -13.953 1.240  1.385  H25 A1LYY 70 
A1LYY H26 H26 H 0 1 N N N N N N 89.450  106.369 109.016 -13.823 1.435  -1.185 H26 A1LYY 71 
A1LYY H27 H27 H 0 1 N N N N N N 87.161  107.156 108.658 -14.019 -1.598 -0.925 H27 A1LYY 72 
A1LYY H28 H28 H 0 1 N N N N N N 86.612  105.471 108.366 -14.044 -0.661 -2.435 H28 A1LYY 73 
A1LYY H29 H29 H 0 1 N N N N N N 103.515 118.170 89.806  13.920  0.372  -2.443 H29 A1LYY 74 
A1LYY H30 H30 H 0 1 N N N N N N 102.480 119.639 89.841  13.878  0.871  -0.733 H30 A1LYY 75 
A1LYY H31 H31 H 0 1 N N N N N N 100.803 118.630 88.612  13.457  -1.927 -1.870 H31 A1LYY 76 
A1LYY H32 H32 H 0 1 N N N N N N 101.118 116.065 87.904  13.129  -2.471 0.724  H32 A1LYY 77 
A1LYY H33 H33 H 0 1 N N N N N N 100.556 114.225 91.059  11.592  -2.237 2.179  H33 A1LYY 78 
A1LYY H34 H34 H 0 1 N N N N N N 99.518  114.655 89.658  11.017  -0.577 2.465  H34 A1LYY 79 
A1LYY H35 H35 H 0 1 N N N N N N 101.118 113.884 89.388  10.068  -1.684 1.443  H35 A1LYY 80 
A1LYY H36 H36 H 0 1 N N N N N N 86.041  107.449 106.513 -11.429 -2.762 -1.140 H36 A1LYY 81 
A1LYY H37 H37 H 0 1 N N N N N N 87.224  107.535 105.164 -12.224 -2.515 -2.714 H37 A1LYY 82 
A1LYY H38 H38 H 0 1 N N N N N N 86.234  106.055 105.397 -10.577 -1.896 -2.441 H38 A1LYY 83 
A1LYY H39 H39 H 0 1 N N N N N N 91.707  104.046 107.857 -12.387 2.455  -0.867 H39 A1LYY 84 
A1LYY H40 H40 H 0 1 N N N N N N 91.656  104.836 106.244 -12.373 3.013  0.823  H40 A1LYY 85 
A1LYY H41 H41 H 0 1 N N N N N N 91.275  105.784 107.721 -10.841 2.641  -0.004 H41 A1LYY 86 
A1LYY H42 H42 H 0 1 N N N N N N 100.062 118.440 92.337  10.245  -0.519 -2.519 H42 A1LYY 87 
A1LYY H43 H43 H 0 1 N N N N N N 100.639 119.849 91.384  11.751  -0.605 -3.464 H43 A1LYY 88 
A1LYY H44 H44 H 0 1 N N N N N N 99.847  118.467 90.553  11.534  -1.651 -2.040 H44 A1LYY 89 
A1LYY H45 H45 H 0 1 N N N N N N 90.192  102.308 107.086 -10.231 1.061  1.821  H45 A1LYY 90 
A1LYY H46 H46 H 0 1 N N N N N N 88.603  102.717 106.355 -11.760 1.427  2.656  H46 A1LYY 91 
A1LYY H47 H47 H 0 1 N N N N N N 90.121  103.069 105.460 -11.338 -0.259 2.269  H47 A1LYY 92 
A1LYY H48 H48 H 0 1 N N N N N N 102.362 118.238 93.312  12.109  2.560  -1.540 H48 A1LYY 93 
A1LYY H49 H49 H 0 1 N N N N N N 103.786 118.126 92.223  12.087  1.851  -3.172 H49 A1LYY 94 
A1LYY H50 H50 H 0 1 N N N N N N 102.852 119.657 92.325  10.583  1.951  -2.225 H50 A1LYY 95 
A1LYY H51 H51 H 0 1 N N N N N N 88.559  104.432 104.313 -10.036 -1.592 0.529  H51 A1LYY 96 
A1LYY H52 H52 H 0 1 N N N N N N 94.913  108.770 97.062  -0.485  -1.489 1.266  H52 A1LYY 97 
A1LYY H53 H53 H 0 1 N N N N N N 89.005  105.157 110.952 -16.017 0.502  -1.339 H53 A1LYY 98 
A1LYY H54 H54 H 0 1 N N N N N N 102.732 119.183 87.446  15.323  -2.317 -0.440 H54 A1LYY 99 
# 
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 
A1LYY O41 C31 SING N N 1   
A1LYY C31 C32 SING N N 2   
A1LYY C31 C30 SING N N 3   
A1LYY C32 C33 DOUB N N 4   
A1LYY C30 C29 SING N N 5   
A1LYY C33 C34 SING N N 6   
A1LYY C33 C19 SING N N 7   
A1LYY C29 C19 SING N N 8   
A1LYY C29 C37 SING N N 9   
A1LYY C29 C39 SING N N 10  
A1LYY C19 C18 SING N N 11  
A1LYY C18 C17 SING N N 12  
A1LYY C17 C16 SING N N 13  
A1LYY C15 C16 DOUB N N 14  
A1LYY C15 C14 SING N N 15  
A1LYY C16 C23 SING N N 16  
A1LYY C14 C13 DOUB N Z 17  
A1LYY C14 O44 SING N N 18  
A1LYY C23 O43 DOUB N N 19  
A1LYY C23 O44 SING N N 20  
A1LYY C13 C12 SING N N 21  
A1LYY C11 C12 DOUB N E 22  
A1LYY C11 C10 SING N N 23  
A1LYY C12 C22 SING N N 24  
A1LYY C9  C10 DOUB N E 25  
A1LYY C9  C8  SING N N 26  
A1LYY C21 C7  SING N N 27  
A1LYY C8  C7  DOUB N E 28  
A1LYY C7  C6  SING N N 29  
A1LYY C6  C5  DOUB N E 30  
A1LYY C5  C4  SING N N 31  
A1LYY C20 C3  SING N N 32  
A1LYY C4  C3  DOUB N E 33  
A1LYY C3  C2  SING N N 34  
A1LYY C2  C42 DOUB N E 35  
A1LYY C42 C1  SING N N 36  
A1LYY C35 C28 SING N N 37  
A1LYY C1  O45 SING N N 38  
A1LYY C1  C28 SING N N 39  
A1LYY C1  C24 SING N N 40  
A1LYY C38 C24 SING N N 41  
A1LYY O45 C28 SING N N 42  
A1LYY C28 C27 SING N N 43  
A1LYY C24 C36 SING N N 44  
A1LYY C24 C25 SING N N 45  
A1LYY C27 C26 SING N N 46  
A1LYY C25 C26 SING N N 47  
A1LYY C26 O40 SING N N 48  
A1LYY C6  H1  SING N N 49  
A1LYY C2  H2  SING N N 50  
A1LYY C4  H3  SING N N 51  
A1LYY C5  H4  SING N N 52  
A1LYY C8  H5  SING N N 53  
A1LYY C10 H6  SING N N 54  
A1LYY C11 H7  SING N N 55  
A1LYY C13 H8  SING N N 56  
A1LYY C15 H9  SING N N 57  
A1LYY C17 H10 SING N N 58  
A1LYY C17 H11 SING N N 59  
A1LYY C18 H12 SING N N 60  
A1LYY C18 H13 SING N N 61  
A1LYY C19 H14 SING N N 62  
A1LYY C20 H15 SING N N 63  
A1LYY C20 H16 SING N N 64  
A1LYY C20 H17 SING N N 65  
A1LYY C21 H18 SING N N 66  
A1LYY C21 H19 SING N N 67  
A1LYY C21 H20 SING N N 68  
A1LYY C22 H21 SING N N 69  
A1LYY C22 H22 SING N N 70  
A1LYY C22 H23 SING N N 71  
A1LYY C25 H24 SING N N 72  
A1LYY C25 H25 SING N N 73  
A1LYY C26 H26 SING N N 74  
A1LYY C27 H27 SING N N 75  
A1LYY C27 H28 SING N N 76  
A1LYY C30 H29 SING N N 77  
A1LYY C30 H30 SING N N 78  
A1LYY C31 H31 SING N N 79  
A1LYY C32 H32 SING N N 80  
A1LYY C34 H33 SING N N 81  
A1LYY C34 H34 SING N N 82  
A1LYY C34 H35 SING N N 83  
A1LYY C35 H36 SING N N 84  
A1LYY C35 H37 SING N N 85  
A1LYY C35 H38 SING N N 86  
A1LYY C36 H39 SING N N 87  
A1LYY C36 H40 SING N N 88  
A1LYY C36 H41 SING N N 89  
A1LYY C37 H42 SING N N 90  
A1LYY C37 H43 SING N N 91  
A1LYY C37 H44 SING N N 92  
A1LYY C38 H45 SING N N 93  
A1LYY C38 H46 SING N N 94  
A1LYY C38 H47 SING N N 95  
A1LYY C39 H48 SING N N 96  
A1LYY C39 H49 SING N N 97  
A1LYY C39 H50 SING N N 98  
A1LYY C42 H51 SING N N 99  
A1LYY C9  H52 SING N N 100 
A1LYY O40 H53 SING N N 101 
A1LYY O41 H54 SING N N 102 
# 
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 
A1LYY InChI            InChI                1.06  "InChI=1S/C40H54O5/c1-27(15-12-16-28(2)19-20-40-38(7,8)25-33(42)26-39(40,9)45-40)13-10-11-14-29(3)21-34-23-31(36(43)44-34)17-18-35-30(4)22-32(41)24-37(35,5)6/h10-16,19-23,32-33,35,41-42H,17-18,24-26H2,1-9H3/b11-10+,15-12+,20-19+,27-13+,28-16+,29-14+,34-21-/t32-,33-,35-,39+,40-/m0/s1" 
A1LYY InChIKey         InChI                1.06  JVBLPSSXRSHBAY-OQINAPANSA-N                                                                                                                                                                                                                                                                  
A1LYY SMILES_CANONICAL CACTVS               3.385 "CC(=C/C=C/C=C(C)/C=C/1OC(=O)C(=C/1)CC[C@H]2C(=C[C@H](O)CC2(C)C)C)\C=C\C=C(C)\C=C\[C@@]34O[C@]3(C)C[C@@H](O)CC4(C)C"                                                                                                                                                                         
A1LYY SMILES           CACTVS               3.385 "CC(=CC=CC=C(C)C=C1OC(=O)C(=C1)CC[CH]2C(=C[CH](O)CC2(C)C)C)C=CC=C(C)C=C[C]34O[C]3(C)C[CH](O)CC4(C)C"                                                                                                                                                                                         
A1LYY SMILES_CANONICAL "OpenEye OEToolkits" 2.0.7 "CC1=C[C@@H](CC([C@H]1CCC2=C/C(=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/[C@]34[C@](O3)(C[C@H](CC4(C)C)O)C)/C)/OC2=O)(C)C)O"                                                                                                                                                                       
A1LYY SMILES           "OpenEye OEToolkits" 2.0.7 "CC1=CC(CC(C1CCC2=CC(=CC(=CC=CC=C(C)C=CC=C(C)C=CC34C(CC(CC3(O4)C)O)(C)C)C)OC2=O)(C)C)O"                                                                                                                                                                                                      
# 
_pdbx_chem_comp_identifier.comp_id           A1LYY 
_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        "(5~{Z})-3-[2-[(1~{R},4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohex-2-en-1-yl]ethyl]-5-[(2~{E},4~{E},6~{E},8~{E},10~{E},12~{E})-2,7,11-trimethyl-13-[(1~{S},4~{S},6~{R})-2,2,6-trimethyl-4-oxidanyl-7-oxabicyclo[4.1.0]heptan-1-yl]trideca-2,4,6,8,10,12-hexaenylidene]furan-2-one" 
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
A1LYY "Create component" 2024-03-08 PDBJ 
A1LYY "Initial release"  2025-12-31 RCSB 
# 
_pdbx_chem_comp_synonyms.ordinal      1 
_pdbx_chem_comp_synonyms.comp_id      A1LYY 
_pdbx_chem_comp_synonyms.name         Uriolide 
_pdbx_chem_comp_synonyms.provenance   PUBCHEM 
_pdbx_chem_comp_synonyms.type         ? 
# 
