data_A1BBH
# 
_chem_comp.id                                    A1BBH 
_chem_comp.name                                  "(2R)-3-{[(R)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,4,6-trihydroxy-3,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl di[(9Z)-octadec-9-enoate]" 
_chem_comp.type                                  non-polymer 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C45 H85 O19 P3" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         dioleylphosphatidylinositol-3,5-bisphosphate 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2024-09-30 
_chem_comp.pdbx_modified_date                    2025-12-12 
_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                        1023.066 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     A1BBH 
_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        9DAT 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  RCSB 
_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 
A1BBH C10  C1  C 0 1 N N R N N N 112.023 143.205 132.183 1.779   -2.294 -1.618 C10  A1BBH 1   
A1BBH C12  C2  C 0 1 N N S N N N 113.143 142.464 132.931 2.868   -2.817 -2.557 C12  A1BBH 2   
A1BBH C15  C3  C 0 1 N N R N N N 111.675 142.270 134.977 4.508   -2.789 -0.672 C15  A1BBH 3   
A1BBH C02  C4  C 0 1 N N R N N N 108.648 142.255 128.352 -2.473  -1.835 4.215  C02  A1BBH 4   
A1BBH C03  C5  C 0 1 N N N N N N 107.928 143.166 129.358 -1.745  -2.952 3.465  C03  A1BBH 5   
A1BBH C09  C6  C 0 1 N N N N N N 110.631 142.843 132.720 2.055   -2.784 -0.195 C09  A1BBH 6   
A1BBH C16  C7  C 0 1 N N R N N N 110.535 143.003 134.245 3.419   -2.266 0.267  C16  A1BBH 7   
A1BBH O25  O1  O 0 1 N N N N N N 116.478 141.640 133.348 3.712   -4.197 -5.411 O25  A1BBH 8   
A1BBH C01  C8  C 0 1 N N N N N N 107.734 141.888 127.160 -1.447  -0.880 4.829  C01  A1BBH 9   
A1BBH C13  C9  C 0 1 N N N N N N 113.047 142.694 134.444 4.232   -2.299 -2.095 C13  A1BBH 10  
A1BBH C29  C10 C 0 1 N N N N N N 109.701 143.888 126.938 -4.581  -1.546 3.142  C29  A1BBH 11  
A1BBH C31  C11 C 0 1 N N N N N N 110.841 144.068 125.896 -5.520  -0.838 2.200  C31  A1BBH 12  
A1BBH C32  C12 C 0 1 N N N N N N 110.700 143.110 124.685 -6.881  -1.537 2.216  C32  A1BBH 13  
A1BBH C33  C13 C 0 1 N N N N N N 110.473 143.854 123.338 -7.835  -0.818 1.260  C33  A1BBH 14  
A1BBH C34  C14 C 0 1 N N N N N N 111.627 143.632 122.322 -9.196  -1.517 1.276  C34  A1BBH 15  
A1BBH C35  C15 C 0 1 N N N N N N 111.800 142.138 121.935 -10.150 -0.798 0.320  C35  A1BBH 16  
A1BBH C36  C16 C 0 1 N N N N N N 113.198 141.578 122.264 -11.510 -1.498 0.336  C36  A1BBH 17  
A1BBH C37  C17 C 0 1 N N N N N N 113.914 141.067 120.994 -12.464 -0.779 -0.621 C37  A1BBH 18  
A1BBH C38  C18 C 0 1 N N N N N N 113.147 139.839 120.458 -13.805 -1.467 -0.605 C38  A1BBH 19  
A1BBH C39  C19 C 0 1 N N N N N N 112.478 139.662 119.317 -14.895 -0.774 -0.390 C39  A1BBH 20  
A1BBH C40  C20 C 0 1 N N N N N N 112.345 140.767 118.240 -14.831 0.731  -0.327 C40  A1BBH 21  
A1BBH C41  C21 C 0 1 N N N N N N 113.050 140.283 116.956 -15.842 1.325  -1.310 C41  A1BBH 22  
A1BBH C42  C22 C 0 1 N N N N N N 112.205 139.239 116.195 -15.777 2.853  -1.246 C42  A1BBH 23  
A1BBH C43  C23 C 0 1 N N N N N N 112.877 137.843 116.117 -16.788 3.447  -2.228 C43  A1BBH 24  
A1BBH C44  C24 C 0 1 N N N N N N 112.123 136.770 116.954 -16.723 4.975  -2.165 C44  A1BBH 25  
A1BBH C45  C25 C 0 1 N N N N N N 112.922 135.447 117.079 -17.734 5.569  -3.147 C45  A1BBH 26  
A1BBH C46  C26 C 0 1 N N N N N N 112.008 134.203 117.174 -17.669 7.097  -3.084 C46  A1BBH 27  
A1BBH C47  C27 C 0 1 N N N N N N 112.312 133.161 116.079 -18.681 7.691  -4.066 C47  A1BBH 28  
A1BBH C49  C28 C 0 1 N N N N N N 105.900 140.362 126.892 0.410   0.459  4.166  C49  A1BBH 29  
A1BBH C51  C29 C 0 1 N N N N N N 105.677 139.610 125.549 1.372   1.005  3.142  C51  A1BBH 30  
A1BBH C52  C30 C 0 1 N N N N N N 106.513 138.303 125.459 2.364   1.948  3.827  C52  A1BBH 31  
A1BBH C53  C31 C 0 1 N N N N N N 106.059 137.332 124.333 3.341   2.502  2.789  C53  A1BBH 32  
A1BBH C54  C32 C 0 1 N N N N N N 107.230 136.988 123.367 4.332   3.445  3.473  C54  A1BBH 33  
A1BBH C55  C33 C 0 1 N N N N N N 106.873 135.933 122.284 5.310   3.999  2.435  C55  A1BBH 34  
A1BBH C56  C34 C 0 1 N N N N N N 108.131 135.122 121.864 6.301   4.942  3.119  C56  A1BBH 35  
A1BBH C57  C35 C 0 1 N N N N N N 108.023 134.488 120.440 7.278   5.496  2.081  C57  A1BBH 36  
A1BBH C58  C36 C 0 1 N N N N N N 108.646 133.064 120.471 8.255   6.425  2.755  C58  A1BBH 37  
A1BBH C59  C37 C 0 1 N N N N N N 108.893 132.390 119.326 9.543   6.252  2.592  C59  A1BBH 38  
A1BBH C60  C38 C 0 1 N N N N N N 108.902 132.194 117.782 10.047  5.236  1.599  C60  A1BBH 39  
A1BBH C61  C39 C 0 1 N N N N N N 108.203 133.398 117.086 11.026  5.908  0.634  C61  A1BBH 40  
A1BBH C62  C40 C 0 1 N N N N N N 108.701 133.641 115.631 11.538  4.877  -0.374 C62  A1BBH 41  
A1BBH C63  C41 C 0 1 N N N N N N 108.949 132.328 114.828 12.517  5.549  -1.338 C63  A1BBH 42  
A1BBH C64  C42 C 0 1 N N N N N N 109.431 132.610 113.376 13.029  4.518  -2.346 C64  A1BBH 43  
A1BBH C65  C43 C 0 1 N N N N N N 108.611 131.827 112.318 14.008  5.190  -3.311 C65  A1BBH 44  
A1BBH C66  C44 C 0 1 N N N N N N 109.426 131.557 111.030 14.520  4.159  -4.319 C66  A1BBH 45  
A1BBH C67  C45 C 0 1 N N N N N N 108.601 130.827 109.954 15.499  4.831  -5.283 C67  A1BBH 46  
A1BBH O04  O2  O 0 1 N N N N N N 107.769 142.433 130.573 -0.855  -2.379 2.505  O04  A1BBH 47  
A1BBH O06  O3  O 0 1 N N N N N N 107.176 144.387 132.171 0.899   -4.188 2.347  O06  A1BBH 48  
A1BBH O07  O4  O 0 1 N N N N N N 107.805 142.223 133.157 -0.853  -4.116 0.531  O07  A1BBH 49  
A1BBH O08  O5  O 0 1 N N N N N N 109.674 143.679 132.096 1.038   -2.296 0.682  O08  A1BBH 50  
A1BBH O11  O6  O 0 1 N N N N N N 112.081 142.863 130.814 0.506   -2.778 -2.049 O11  A1BBH 51  
A1BBH O14  O7  O 0 1 N N N N N N 114.059 141.946 135.097 5.249   -2.787 -2.972 O14  A1BBH 52  
A1BBH O17  O8  O 0 1 N N N N N N 110.592 144.376 134.567 3.418   -0.837 0.247  O17  A1BBH 53  
A1BBH O18  O9  O 0 1 N N N N N N 111.609 142.552 136.355 5.781   -2.305 -0.241 O18  A1BBH 54  
A1BBH O20  O10 O 0 1 N N N N N N 110.953 140.138 137.043 7.271   -4.230 -0.910 O20  A1BBH 55  
A1BBH O21  O11 O 0 1 N N N N N N 111.484 141.766 138.821 8.305   -2.401 0.490  O21  A1BBH 56  
A1BBH O22  O12 O 0 1 N N N N N N 113.283 140.868 137.389 6.575   -4.096 1.513  O22  A1BBH 57  
A1BBH O23  O13 O 0 1 N N N N N N 114.398 142.920 132.469 2.611   -2.360 -3.886 O23  A1BBH 58  
A1BBH O26  O14 O 0 1 N N N N N N 114.961 140.470 131.792 1.980   -2.505 -6.435 O26  A1BBH 59  
A1BBH O27  O15 O 0 1 N N N N N N 116.409 142.284 130.964 1.265   -4.290 -4.799 O27  A1BBH 60  
A1BBH O28  O16 O 0 1 N N N N N N 109.827 142.895 127.932 -3.322  -1.105 3.292  O28  A1BBH 61  
A1BBH O30  O17 O 0 1 N N N N N N 108.737 144.592 126.901 -4.960  -2.510 3.762  O30  A1BBH 62  
A1BBH O48  O18 O 0 1 N N N N N N 107.213 140.592 127.389 -0.556  -0.395 3.790  O48  A1BBH 63  
A1BBH O50  O19 O 0 1 N N N N N N 104.960 140.742 127.514 0.507   0.790  5.324  O50  A1BBH 64  
A1BBH P05  P1  P 0 1 N N N N N N 108.083 143.187 132.029 0.075   -3.265 1.534  P05  A1BBH 65  
A1BBH P19  P2  P 0 1 N N N N N N 111.835 141.306 137.426 6.989   -3.279 0.189  P19  A1BBH 66  
A1BBH P24  P3  P 0 1 N N N N N N 115.582 141.803 132.137 2.368   -3.358 -5.126 P24  A1BBH 67  
A1BBH H101 H1  H 0 0 N N N N N N 112.176 144.287 132.310 1.779   -1.204 -1.633 H101 A1BBH 68  
A1BBH H121 H2  H 0 0 N N N N N N 113.037 141.387 132.735 2.869   -3.907 -2.542 H121 A1BBH 69  
A1BBH H151 H3  H 0 0 N N N N N N 111.556 141.190 134.807 4.509   -3.879 -0.656 H151 A1BBH 70  
A1BBH H021 H4  H 0 0 N N N N N N 108.906 141.321 128.872 -3.085  -2.268 5.007  H021 A1BBH 71  
A1BBH H031 H5  H 0 0 N N N N N N 108.528 144.069 129.542 -1.177  -3.556 4.173  H031 A1BBH 72  
A1BBH H032 H6  H 0 0 N N N N N N 106.943 143.455 128.963 -2.474  -3.581 2.954  H032 A1BBH 73  
A1BBH H091 H7  H 0 0 N N N N N N 110.428 141.791 132.470 2.056   -3.874 -0.179 H091 A1BBH 74  
A1BBH H161 H8  H 0 0 N N N N N N 109.578 142.576 134.579 3.615   -2.615 1.281  H161 A1BBH 75  
A1BBH H1   H9  H 0 1 N N N N N N 117.369 141.874 133.117 4.478   -3.649 -5.631 H1   A1BBH 76  
A1BBH H012 H10 H 0 0 N N N N N N 108.317 141.896 126.227 -1.963  -0.037 5.288  H012 A1BBH 77  
A1BBH H011 H11 H 0 0 N N N N N N 106.910 142.613 127.084 -0.868  -1.408 5.587  H011 A1BBH 78  
A1BBH H131 H12 H 0 0 N N N N N N 113.183 143.767 134.643 4.231   -1.209 -2.111 H131 A1BBH 79  
A1BBH H311 H13 H 0 0 N N N N N N 111.804 143.872 126.390 -5.640  0.198  2.517  H311 A1BBH 80  
A1BBH H312 H14 H 0 0 N N N N N N 110.822 145.105 125.529 -5.110  -0.863 1.191  H312 A1BBH 81  
A1BBH H321 H15 H 0 0 N N N N N N 109.844 142.443 124.865 -6.761  -2.573 1.899  H321 A1BBH 82  
A1BBH H322 H16 H 0 0 N N N N N N 111.620 142.512 124.603 -7.291  -1.511 3.226  H322 A1BBH 83  
A1BBH H331 H17 H 0 0 N N N N N N 110.388 144.932 123.542 -7.955  0.218  1.577  H331 A1BBH 84  
A1BBH H332 H18 H 0 0 N N N N N N 109.536 143.491 122.890 -7.425  -0.844 0.250  H332 A1BBH 85  
A1BBH H341 H19 H 0 0 N N N N N N 112.565 143.991 122.770 -9.076  -2.553 0.959  H341 A1BBH 86  
A1BBH H342 H20 H 0 0 N N N N N N 111.411 144.210 121.411 -9.606  -1.491 2.286  H342 A1BBH 87  
A1BBH H352 H21 H 0 0 N N N N N N 111.629 142.036 120.853 -10.270 0.237  0.637  H352 A1BBH 88  
A1BBH H351 H22 H 0 0 N N N N N N 111.050 141.547 122.482 -9.740  -0.824 -0.690 H351 A1BBH 89  
A1BBH H362 H23 H 0 0 N N N N N N 113.092 140.745 122.975 -11.391 -2.533 0.019  H362 A1BBH 90  
A1BBH H361 H24 H 0 0 N N N N N N 113.804 142.374 122.721 -11.920 -1.472 1.345  H361 A1BBH 91  
A1BBH H371 H25 H 0 0 N N N N N N 114.947 140.780 121.241 -12.585 0.257  -0.303 H371 A1BBH 92  
A1BBH H372 H26 H 0 0 N N N N N N 113.926 141.859 120.231 -12.054 -0.804 -1.630 H372 A1BBH 93  
A1BBH H381 H27 H 0 0 N N N N N N 113.153 138.982 121.115 -13.866 -2.533 -0.771 H381 A1BBH 94  
A1BBH H391 H28 H 0 0 N N N N N N 112.009 138.706 119.137 -15.840 -1.280 -0.257 H391 A1BBH 95  
A1BBH H401 H29 H 0 0 N N N N N N 112.819 141.693 118.597 -15.068 1.063  0.683  H401 A1BBH 96  
A1BBH H402 H30 H 0 0 N N N N N N 111.282 140.956 118.031 -13.828 1.063  -0.593 H402 A1BBH 97  
A1BBH H412 H31 H 0 0 N N N N N N 114.014 139.830 117.229 -15.605 0.993  -2.320 H412 A1BBH 98  
A1BBH H411 H32 H 0 0 N N N N N N 113.224 141.147 116.298 -16.846 0.993  -1.044 H411 A1BBH 99  
A1BBH H421 H33 H 0 0 N N N N N N 112.039 139.604 115.171 -16.014 3.185  -0.235 H421 A1BBH 100 
A1BBH H422 H34 H 0 0 N N N N N N 111.238 139.132 116.708 -14.774 3.185  -1.512 H422 A1BBH 101 
A1BBH H432 H35 H 0 0 N N N N N N 112.897 137.520 115.066 -16.552 3.115  -3.239 H432 A1BBH 102 
A1BBH H431 H36 H 0 0 N N N N N N 113.907 137.926 116.495 -17.792 3.115  -1.963 H431 A1BBH 103 
A1BBH H441 H37 H 0 0 N N N N N N 111.944 137.171 117.963 -16.960 5.307  -1.154 H441 A1BBH 104 
A1BBH H442 H38 H 0 0 N N N N N N 111.160 136.556 116.468 -15.720 5.307  -2.431 H442 A1BBH 105 
A1BBH H451 H39 H 0 0 N N N N N N 113.568 135.342 116.195 -17.498 5.237  -4.158 H451 A1BBH 106 
A1BBH H452 H40 H 0 0 N N N N N N 113.544 135.496 117.985 -18.738 5.237  -2.882 H452 A1BBH 107 
A1BBH H462 H41 H 0 0 N N N N N N 110.961 134.526 117.073 -17.906 7.429  -2.073 H462 A1BBH 108 
A1BBH H461 H42 H 0 0 N N N N N N 112.153 133.733 118.158 -16.666 7.429  -3.350 H461 A1BBH 109 
A1BBH H471 H43 H 0 0 N N N N N N 111.636 132.301 116.193 -18.444 7.359  -5.077 H471 A1BBH 110 
A1BBH H473 H44 H 0 0 N N N N N N 112.163 133.616 115.089 -19.684 7.359  -3.800 H473 A1BBH 111 
A1BBH H472 H45 H 0 0 N N N N N N 113.354 132.823 116.174 -18.634 8.779  -4.021 H472 A1BBH 112 
A1BBH H512 H46 H 0 0 N N N N N N 105.966 140.273 124.720 1.915   0.182  2.678  H512 A1BBH 113 
A1BBH H511 H47 H 0 0 N N N N N N 104.611 139.355 125.459 0.819   1.552  2.379  H511 A1BBH 114 
A1BBH H522 H48 H 0 0 N N N N N N 106.434 137.776 126.421 1.821   2.771  4.291  H522 A1BBH 115 
A1BBH H521 H49 H 0 0 N N N N N N 107.563 138.577 125.276 2.917   1.401  4.591  H521 A1BBH 116 
A1BBH H531 H50 H 0 0 N N N N N N 105.249 137.805 123.758 3.884   1.679  2.325  H531 A1BBH 117 
A1BBH H532 H51 H 0 0 N N N N N N 105.689 136.403 124.791 2.788   3.049  2.025  H532 A1BBH 118 
A1BBH H542 H52 H 0 0 N N N N N N 108.067 136.599 123.965 3.790   4.268  3.938  H542 A1BBH 119 
A1BBH H541 H53 H 0 0 N N N N N N 107.541 137.913 122.859 4.886   2.898  4.237  H541 A1BBH 120 
A1BBH H552 H54 H 0 0 N N N N N N 106.465 136.447 121.401 5.852   3.176  1.971  H552 A1BBH 121 
A1BBH H551 H55 H 0 0 N N N N N N 106.118 135.243 122.689 4.756   4.546  1.671  H551 A1BBH 122 
A1BBH H562 H56 H 0 0 N N N N N N 108.282 134.313 122.594 5.759   5.765  3.584  H562 A1BBH 123 
A1BBH H561 H57 H 0 0 N N N N N N 109.000 135.796 121.879 6.854   4.395  3.883  H561 A1BBH 124 
A1BBH H571 H58 H 0 0 N N N N N N 108.567 135.113 119.716 7.821   4.673  1.617  H571 A1BBH 125 
A1BBH H572 H59 H 0 0 N N N N N N 106.965 134.421 120.145 6.725   6.043  1.317  H572 A1BBH 126 
A1BBH H581 H60 H 0 0 N N N N N N 108.885 132.607 121.420 7.893   7.233  3.374  H581 A1BBH 127 
A1BBH H591 H62 H 0 0 N N N N N N 109.330 131.469 119.683 10.244  6.837  3.168  H591 A1BBH 128 
A1BBH H602 H64 H 0 0 N N N N N N 108.366 131.267 117.530 10.554  4.430  2.129  H602 A1BBH 129 
A1BBH H601 H65 H 0 0 N N N N N N 109.942 132.124 117.430 9.206   4.829  1.037  H601 A1BBH 130 
A1BBH H612 H66 H 0 0 N N N N N N 108.398 134.305 117.678 10.519  6.714  0.104  H612 A1BBH 131 
A1BBH H611 H67 H 0 0 N N N N N N 107.121 133.204 117.057 11.867  6.315  1.196  H611 A1BBH 132 
A1BBH H622 H68 H 0 0 N N N N N N 109.645 134.204 115.676 12.045  4.071  0.156  H622 A1BBH 133 
A1BBH H621 H69 H 0 0 N N N N N N 107.944 134.236 115.099 10.697  4.470  -0.935 H621 A1BBH 134 
A1BBH H631 H70 H 0 0 N N N N N N 108.010 131.756 114.785 12.010  6.355  -1.868 H631 A1BBH 135 
A1BBH H632 H71 H 0 0 N N N N N N 109.716 131.735 115.347 13.358  5.956  -0.777 H632 A1BBH 136 
A1BBH H642 H72 H 0 0 N N N N N N 110.488 132.317 113.291 13.536  3.712  -1.816 H642 A1BBH 137 
A1BBH H641 H73 H 0 0 N N N N N N 109.332 133.687 113.174 12.188  4.111  -2.908 H641 A1BBH 138 
A1BBH H652 H74 H 0 0 N N N N N N 107.718 132.414 112.056 13.501  5.996  -3.841 H652 A1BBH 139 
A1BBH H651 H75 H 0 0 N N N N N N 108.302 130.864 112.751 14.849  5.597  -2.749 H651 A1BBH 140 
A1BBH H661 H76 H 0 0 N N N N N N 110.298 130.937 111.287 15.027  3.353  -3.789 H661 A1BBH 141 
A1BBH H662 H77 H 0 0 N N N N N N 109.768 132.519 110.620 13.679  3.752  -4.880 H662 A1BBH 142 
A1BBH H673 H78 H 0 0 N N N N N N 109.225 130.660 109.063 16.340  5.238  -4.722 H673 A1BBH 143 
A1BBH H672 H79 H 0 0 N N N N N N 108.259 129.859 110.348 15.864  4.096  -6.001 H672 A1BBH 144 
A1BBH H671 H80 H 0 0 N N N N N N 107.729 131.440 109.682 14.992  5.637  -5.813 H671 A1BBH 145 
A1BBH H4   H81 H 0 1 N N N N N N 107.121 142.576 133.714 -1.421  -3.574 -0.034 H4   A1BBH 146 
A1BBH H111 H82 H 0 0 N N N N N N 112.938 143.082 130.468 0.265   -2.505 -2.945 H111 A1BBH 147 
A1BBH H141 H83 H 0 0 N N N N N N 114.002 142.087 136.035 6.142   -2.498 -2.739 H141 A1BBH 148 
A1BBH H171 H84 H 0 0 N N N N N N 110.533 144.483 135.509 4.253   -0.439 0.529  H171 A1BBH 149 
A1BBH H5   H85 H 0 1 N N N N N N 110.783 141.226 139.166 9.075   -2.924 0.755  H5   A1BBH 150 
A1BBH H6   H86 H 0 1 N N N N N N 113.331 139.954 137.134 6.376   -3.535 2.275  H6   A1BBH 151 
A1BBH H7   H87 H 0 1 N N N N N N 115.221 140.217 130.914 1.819   -3.043 -7.221 H7   A1BBH 152 
# 
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 
A1BBH C67 C66  SING N N 1   
A1BBH C66 C65  SING N N 2   
A1BBH C65 C64  SING N N 3   
A1BBH C64 C63  SING N N 4   
A1BBH C63 C62  SING N N 5   
A1BBH C62 C61  SING N N 6   
A1BBH C47 C46  SING N N 7   
A1BBH C43 C42  SING N N 8   
A1BBH C43 C44  SING N N 9   
A1BBH C42 C41  SING N N 10  
A1BBH C44 C45  SING N N 11  
A1BBH C41 C40  SING N N 12  
A1BBH C45 C46  SING N N 13  
A1BBH C61 C60  SING N N 14  
A1BBH C60 C59  SING N N 15  
A1BBH C40 C39  SING N N 16  
A1BBH C39 C38  DOUB N Z 17  
A1BBH C59 C58  DOUB N Z 18  
A1BBH C57 C58  SING N N 19  
A1BBH C57 C56  SING N N 20  
A1BBH C38 C37  SING N N 21  
A1BBH C37 C36  SING N N 22  
A1BBH C56 C55  SING N N 23  
A1BBH C35 C36  SING N N 24  
A1BBH C35 C34  SING N N 25  
A1BBH C55 C54  SING N N 26  
A1BBH C34 C33  SING N N 27  
A1BBH C33 C32  SING N N 28  
A1BBH C54 C53  SING N N 29  
A1BBH C53 C52  SING N N 30  
A1BBH C32 C31  SING N N 31  
A1BBH C52 C51  SING N N 32  
A1BBH C51 C49  SING N N 33  
A1BBH C31 C29  SING N N 34  
A1BBH C49 O48  SING N N 35  
A1BBH C49 O50  DOUB N N 36  
A1BBH O30 C29  DOUB N N 37  
A1BBH C29 O28  SING N N 38  
A1BBH C01 O48  SING N N 39  
A1BBH C01 C02  SING N N 40  
A1BBH O28 C02  SING N N 41  
A1BBH C02 C03  SING N N 42  
A1BBH C03 O04  SING N N 43  
A1BBH O04 P05  SING N N 44  
A1BBH O11 C10  SING N N 45  
A1BBH O27 P24  DOUB N N 46  
A1BBH O26 P24  SING N N 47  
A1BBH P05 O08  SING N N 48  
A1BBH P05 O06  DOUB N N 49  
A1BBH P05 O07  SING N N 50  
A1BBH O08 C09  SING N N 51  
A1BBH P24 O23  SING N N 52  
A1BBH P24 O25  SING N N 53  
A1BBH C10 C09  SING N N 54  
A1BBH C10 C12  SING N N 55  
A1BBH O23 C12  SING N N 56  
A1BBH C09 C16  SING N N 57  
A1BBH C12 C13  SING N N 58  
A1BBH C16 O17  SING N N 59  
A1BBH C16 C15  SING N N 60  
A1BBH C13 C15  SING N N 61  
A1BBH C13 O14  SING N N 62  
A1BBH C15 O18  SING N N 63  
A1BBH O18 P19  SING N N 64  
A1BBH O20 P19  DOUB N N 65  
A1BBH O22 P19  SING N N 66  
A1BBH P19 O21  SING N N 67  
A1BBH C10 H101 SING N N 68  
A1BBH C12 H121 SING N N 69  
A1BBH C15 H151 SING N N 70  
A1BBH C02 H021 SING N N 71  
A1BBH C03 H031 SING N N 72  
A1BBH C03 H032 SING N N 73  
A1BBH C09 H091 SING N N 74  
A1BBH C16 H161 SING N N 75  
A1BBH O25 H1   SING N N 76  
A1BBH C01 H012 SING N N 77  
A1BBH C01 H011 SING N N 78  
A1BBH C13 H131 SING N N 79  
A1BBH C31 H311 SING N N 80  
A1BBH C31 H312 SING N N 81  
A1BBH C32 H321 SING N N 82  
A1BBH C32 H322 SING N N 83  
A1BBH C33 H331 SING N N 84  
A1BBH C33 H332 SING N N 85  
A1BBH C34 H341 SING N N 86  
A1BBH C34 H342 SING N N 87  
A1BBH C35 H352 SING N N 88  
A1BBH C35 H351 SING N N 89  
A1BBH C36 H362 SING N N 90  
A1BBH C36 H361 SING N N 91  
A1BBH C37 H371 SING N N 92  
A1BBH C37 H372 SING N N 93  
A1BBH C38 H381 SING N N 94  
A1BBH C39 H391 SING N N 95  
A1BBH C40 H401 SING N N 96  
A1BBH C40 H402 SING N N 97  
A1BBH C41 H412 SING N N 98  
A1BBH C41 H411 SING N N 99  
A1BBH C42 H421 SING N N 100 
A1BBH C42 H422 SING N N 101 
A1BBH C43 H432 SING N N 102 
A1BBH C43 H431 SING N N 103 
A1BBH C44 H441 SING N N 104 
A1BBH C44 H442 SING N N 105 
A1BBH C45 H451 SING N N 106 
A1BBH C45 H452 SING N N 107 
A1BBH C46 H462 SING N N 108 
A1BBH C46 H461 SING N N 109 
A1BBH C47 H471 SING N N 110 
A1BBH C47 H473 SING N N 111 
A1BBH C47 H472 SING N N 112 
A1BBH C51 H512 SING N N 113 
A1BBH C51 H511 SING N N 114 
A1BBH C52 H522 SING N N 115 
A1BBH C52 H521 SING N N 116 
A1BBH C53 H531 SING N N 117 
A1BBH C53 H532 SING N N 118 
A1BBH C54 H542 SING N N 119 
A1BBH C54 H541 SING N N 120 
A1BBH C55 H552 SING N N 121 
A1BBH C55 H551 SING N N 122 
A1BBH C56 H562 SING N N 123 
A1BBH C56 H561 SING N N 124 
A1BBH C57 H571 SING N N 125 
A1BBH C57 H572 SING N N 126 
A1BBH C58 H581 SING N N 127 
A1BBH C59 H591 SING N N 128 
A1BBH C60 H602 SING N N 129 
A1BBH C60 H601 SING N N 130 
A1BBH C61 H612 SING N N 131 
A1BBH C61 H611 SING N N 132 
A1BBH C62 H622 SING N N 133 
A1BBH C62 H621 SING N N 134 
A1BBH C63 H631 SING N N 135 
A1BBH C63 H632 SING N N 136 
A1BBH C64 H642 SING N N 137 
A1BBH C64 H641 SING N N 138 
A1BBH C65 H652 SING N N 139 
A1BBH C65 H651 SING N N 140 
A1BBH C66 H661 SING N N 141 
A1BBH C66 H662 SING N N 142 
A1BBH C67 H673 SING N N 143 
A1BBH C67 H672 SING N N 144 
A1BBH C67 H671 SING N N 145 
A1BBH O07 H4   SING N N 146 
A1BBH O11 H111 SING N N 147 
A1BBH O14 H141 SING N N 148 
A1BBH O17 H171 SING N N 149 
A1BBH O21 H5   SING N N 150 
A1BBH O22 H6   SING N N 151 
A1BBH O26 H7   SING N N 152 
# 
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 
A1BBH SMILES           ACDLabs              14.52 "OP(=O)(OC1C(O)C(OP(=O)(O)O)C(O)C(OP(=O)(O)O)C1O)OCC(COC(=O)CCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCC/C=C\CCCCCCCC"                                                                                                                                                                                                                                               
A1BBH InChI            InChI                1.06  "InChI=1S/C45H85O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)59-35-37(61-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-60-67(57,58)64-45-41(49)43(62-65(51,52)53)40(48)44(42(45)50)63-66(54,55)56/h17-20,37,40-45,48-50H,3-16,21-36H2,1-2H3,(H,57,58)(H2,51,52,53)(H2,54,55,56)/b19-17-,20-18-/t37-,40-,41-,42-,43-,44+,45-/m1/s1" 
A1BBH InChIKey         InChI                1.06  NCQJPYRCYOFNGI-BVBQJIMISA-N                                                                                                                                                                                                                                                                                                                                
A1BBH SMILES_CANONICAL CACTVS               3.385 "CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](CO[P](O)(=O)O[C@H]1[C@H](O)[C@@H](O[P](O)(O)=O)[C@H](O)[C@@H](O[P](O)(O)=O)[C@H]1O)OC(=O)CCCCCCC\C=C/CCCCCCCC"                                                                                                                                                                                                           
A1BBH SMILES           CACTVS               3.385 "CCCCCCCCC=CCCCCCCCC(=O)OC[CH](CO[P](O)(=O)O[CH]1[CH](O)[CH](O[P](O)(O)=O)[CH](O)[CH](O[P](O)(O)=O)[CH]1O)OC(=O)CCCCCCCC=CCCCCCCCC"                                                                                                                                                                                                                        
A1BBH SMILES_CANONICAL "OpenEye OEToolkits" 2.0.7 "CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)OP(=O)(O)O)O)OP(=O)(O)O)O)OC(=O)CCCCCCC/C=C\CCCCCCCC"                                                                                                                                                                                                                          
A1BBH SMILES           "OpenEye OEToolkits" 2.0.7 "CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OC1C(C(C(C(C1O)OP(=O)(O)O)O)OP(=O)(O)O)O)OC(=O)CCCCCCCC=CCCCCCCCC"                                                                                                                                                                                                                                                   
# 
loop_
_pdbx_chem_comp_identifier.comp_id 
_pdbx_chem_comp_identifier.type 
_pdbx_chem_comp_identifier.program 
_pdbx_chem_comp_identifier.program_version 
_pdbx_chem_comp_identifier.identifier 
A1BBH "SYSTEMATIC NAME" ACDLabs              14.52 "(2R)-3-{[(R)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,4,6-trihydroxy-3,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl di[(9Z)-octadec-9-enoate]"                            
A1BBH "SYSTEMATIC NAME" "OpenEye OEToolkits" 2.0.7 "[(2~{R})-2-[(~{Z})-octadec-9-enoyl]oxy-3-[oxidanyl-[(2~{R},3~{S},5~{R},6~{R})-2,4,6-tris(oxidanyl)-3,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] (~{Z})-octadec-9-enoate" 
# 
_pdbx_chem_comp_synonyms.ordinal      1 
_pdbx_chem_comp_synonyms.comp_id      A1BBH 
_pdbx_chem_comp_synonyms.name         dioleylphosphatidylinositol-3,5-bisphosphate 
_pdbx_chem_comp_synonyms.provenance   PDB 
_pdbx_chem_comp_synonyms.type         ? 
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
A1BBH "Create component" 2024-09-30 RCSB 
A1BBH "Initial release"  2025-12-17 RCSB 
# 
