data_A1L26
# 
_chem_comp.id                                    A1L26 
_chem_comp.name                                  "Pip2(20:4/18:0)" 
_chem_comp.type                                  non-polymer 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C47 H85 O19 P3" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         "[(2R)-3-[hydroxy-[(1S,5S)-2,3,6-trihydroxy-4,5-diphosphonooxycyclohexyl]oxyphosphoryl]oxy-2-octadecanoyloxypropyl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate; Phosphatidylinositol Diphosphate(20:4n6/18:0)" 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2024-07-24 
_chem_comp.pdbx_modified_date                    2024-09-13 
_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                        1047.088 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     A1L26 
_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        9IUK 
_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 
A1L26 C10  C1  C 0 1 N N N N N N 140.002 121.145 153.492 -14.483 0.927  -0.155 C10  A1L26 1   
A1L26 C13  C2  C 0 1 N N N N N N 143.102 121.611 154.264 -10.666 1.431  -0.206 C13  A1L26 2   
A1L26 C15  C3  C 0 1 N N N N N N 144.885 119.820 153.821 -8.252  1.787  0.333  C15  A1L26 3   
A1L26 C17  C4  C 0 1 N N N N N N 147.393 119.548 153.271 -5.839  2.144  0.873  C17  A1L26 4   
A1L26 C21  C5  C 0 1 N N R N N N 149.738 122.247 154.580 -2.641  2.701  2.824  C21  A1L26 5   
A1L26 C22  C6  C 0 1 N N N N N N 149.463 123.645 155.159 -1.454  3.558  2.382  C22  A1L26 6   
A1L26 C24  C7  C 0 1 N N N N N N 148.223 124.619 156.941 0.406   3.453  0.894  C24  A1L26 7   
A1L26 C26  C8  C 0 1 N N N N N N 146.735 124.470 157.383 1.259   2.765  -0.140 C26  A1L26 8   
A1L26 C28  C9  C 0 1 N N N N N N 144.850 122.795 157.991 3.288   2.980  -1.582 C28  A1L26 9   
A1L26 C01  C10 C 0 1 N N N N N N 132.111 117.739 150.945 -25.145 -0.711 -3.444 C01  A1L26 10  
A1L26 C02  C11 C 0 1 N N N N N N 132.998 118.389 149.859 -24.136 -0.501 -2.313 C02  A1L26 11  
A1L26 C03  C12 C 0 1 N N N N N N 134.370 118.829 150.414 -22.732 -0.354 -2.904 C03  A1L26 12  
A1L26 C04  C13 C 0 1 N N N N N N 134.435 118.704 151.956 -21.722 -0.144 -1.774 C04  A1L26 13  
A1L26 C05  C14 C 0 1 N N N N N N 135.420 119.720 152.584 -20.319 0.003  -2.365 C05  A1L26 14  
A1L26 C06  C15 C 0 1 N N N N N N 136.563 120.112 151.615 -19.309 0.213  -1.234 C06  A1L26 15  
A1L26 C07  C16 C 0 1 N N N N N N 137.953 119.832 152.249 -17.905 0.360  -1.825 C07  A1L26 16  
A1L26 C08  C17 C 0 1 N N N N N N 137.860 119.761 153.797 -16.896 0.570  -0.695 C08  A1L26 17  
A1L26 C09  C18 C 0 1 N N N N N N 139.036 120.480 154.497 -15.492 0.717  -1.285 C09  A1L26 18  
A1L26 C11  C19 C 0 1 N N N N N N 141.213 120.229 153.196 -13.079 1.074  -0.746 C11  A1L26 19  
A1L26 C12  C20 C 0 1 N N N N N N 142.289 120.289 154.309 -12.069 1.284  0.384  C12  A1L26 20  
A1L26 C14  C21 C 0 1 N N N N N N 144.617 121.329 154.043 -9.656  1.641  0.924  C14  A1L26 21  
A1L26 C16  C22 C 0 1 N N N N N N 146.284 119.403 154.349 -7.243  1.998  1.463  C16  A1L26 22  
A1L26 C18  C23 C 0 1 N N N N N N 148.651 120.262 153.856 -4.845  2.352  1.986  C18  A1L26 23  
A1L26 C27  C24 C 0 1 N N N N N N 146.281 122.977 157.386 2.421   3.678  -0.532 C27  A1L26 24  
A1L26 C29  C25 C 0 1 N N N N N N 143.811 123.488 157.071 4.433   3.880  -1.968 C29  A1L26 25  
A1L26 C30  C26 C 0 1 N N N N N N 142.625 123.616 157.696 5.666   3.447  -1.875 C30  A1L26 26  
A1L26 C31  C27 C 0 1 N N N N N N 141.498 124.294 156.877 6.811   4.347  -2.262 C31  A1L26 27  
A1L26 C32  C28 C 0 1 N N N N N N 140.198 123.457 157.025 7.778   4.452  -1.110 C32  A1L26 28  
A1L26 C33  C29 C 0 1 N N N N N N 139.152 124.056 156.415 9.042   4.160  -1.288 C33  A1L26 29  
A1L26 C34  C30 C 0 1 N N N N N N 137.805 123.292 156.514 10.009  4.265  -0.137 C34  A1L26 30  
A1L26 C35  C31 C 0 1 N N N N N N 136.651 124.199 155.993 10.721  2.949  0.043  C35  A1L26 31  
A1L26 C36  C32 C 0 1 N N N N N N 135.966 123.594 155.001 12.031  2.906  0.036  C36  A1L26 32  
A1L26 C37  C33 C 0 1 N N N N N N 134.788 124.412 154.407 12.743  1.590  0.215  C37  A1L26 33  
A1L26 C38  C34 C 0 1 N N N N N N 134.263 123.698 153.127 13.687  1.369  -0.938 C38  A1L26 34  
A1L26 C39  C35 C 0 1 N N N N N N 132.933 123.876 152.982 14.956  1.134  -0.710 C39  A1L26 35  
A1L26 C40  C36 C 0 1 N N N N N N 132.296 123.206 151.738 15.900  0.912  -1.863 C40  A1L26 36  
A1L26 C41  C37 C 0 1 N N N N N N 131.478 124.272 150.952 17.068  1.896  -1.763 C41  A1L26 37  
A1L26 C42  C38 C 0 1 N N N N N N 130.063 124.491 151.559 18.026  1.671  -2.934 C42  A1L26 38  
A1L26 C43  C39 C 0 1 N N N N N N 129.407 125.805 151.058 19.194  2.655  -2.833 C43  A1L26 39  
A1L26 C44  C40 C 0 1 N N N N N N 128.357 126.349 152.052 20.153  2.430  -4.004 C44  A1L26 40  
A1L26 C45  C41 C 0 1 N N N N N N 150.477 122.395 153.254 -2.136  1.343  3.315  C45  A1L26 41  
A1L26 C51  C42 C 0 1 N N S N N N 154.085 124.519 154.331 1.102   -2.179 1.084  C51  A1L26 42  
A1L26 C52  C43 C 0 1 N N R N N N 155.254 125.478 154.624 2.560   -1.747 0.914  C52  A1L26 43  
A1L26 C53  C44 C 0 1 N N S N N N 156.374 124.835 155.445 3.450   -2.987 0.807  C53  A1L26 44  
A1L26 C54  C45 C 0 1 N N S N N N 155.763 124.126 156.663 3.020   -3.820 -0.402 C54  A1L26 45  
A1L26 C55  C46 C 0 1 N N S N N N 155.021 122.871 156.172 1.563   -4.252 -0.232 C55  A1L26 46  
A1L26 C56  C47 C 0 1 N N R N N N 154.224 123.067 154.856 0.673   -3.012 -0.125 C56  A1L26 47  
A1L26 O19  O1  O 0 1 N N N N N N 149.693 119.713 153.869 -5.220  2.380  3.134  O19  A1L26 48  
A1L26 O20  O2  O 0 1 N N N N N N 148.520 121.586 154.380 -3.542  2.506  1.702  O20  A1L26 49  
A1L26 O23  O3  O 0 1 N N N N N N 148.934 123.480 156.470 -0.679  2.835  1.389  O23  A1L26 50  
A1L26 O25  O4  O 0 1 N N N N N N 148.763 125.681 156.996 0.698   4.561  1.278  O25  A1L26 51  
A1L26 O46  O5  O 0 1 N N N N N N 151.537 123.315 153.470 -1.342  0.734  2.295  O46  A1L26 52  
A1L26 O48  O6  O 0 1 N N N N N N 152.185 124.037 151.053 -1.784  -1.840 2.605  O48  A1L26 53  
A1L26 O49  O7  O 0 1 N N N N N N 153.333 122.085 152.031 0.195   -0.706 3.687  O49  A1L26 54  
A1L26 O50  O8  O 0 1 N N N N N N 153.934 124.450 152.926 0.271   -1.021 1.184  O50  A1L26 55  
A1L26 O57  O9  O 0 1 N N N N N N 152.918 122.549 155.062 -0.689  -3.415 0.034  O57  A1L26 56  
A1L26 O58  O10 O 0 1 N N N N N N 154.222 122.253 157.174 1.434   -5.035 0.956  O58  A1L26 57  
A1L26 O59  O11 O 0 1 N N N N N N 154.948 125.073 157.332 3.852   -4.978 -0.502 O59  A1L26 58  
A1L26 O61  O12 O 0 1 N N N N N N 152.490 124.540 156.686 3.828   -5.552 -3.068 O61  A1L26 59  
A1L26 O62  O13 O 0 1 N N N N N N 153.415 123.538 158.740 5.655   -4.135 -2.055 O62  A1L26 60  
A1L26 O63  O14 O 0 1 N N N N N N 152.908 125.947 158.663 5.664   -6.598 -1.503 O63  A1L26 61  
A1L26 O64  O15 O 0 1 N N N N N N 157.034 123.891 154.642 4.812   -2.583 0.648  O64  A1L26 62  
A1L26 O66  O16 O 0 1 N N N N N N 158.074 125.922 153.430 5.583   -2.560 3.051  O66  A1L26 63  
A1L26 O67  O17 O 0 1 N N N N N N 157.960 123.768 152.233 6.185   -4.582 1.665  O67  A1L26 64  
A1L26 O68  O18 O 0 1 N N N N N N 159.552 124.064 154.097 7.345   -2.256 1.270  O68  A1L26 65  
A1L26 O69  O19 O 0 1 N N N N N N 154.754 126.579 155.344 2.961   -0.969 2.043  O69  A1L26 66  
A1L26 P47  P1  P 0 1 N N N N N N 152.750 123.441 152.319 -0.647  -0.708 2.470  P47  A1L26 67  
A1L26 P60  P2  P 0 1 N N N N N N 153.407 124.764 157.864 4.769   -5.290 -1.788 P60  A1L26 68  
A1L26 P65  P3  P 0 1 N N N N N N 158.179 124.423 153.577 5.972   -2.986 1.689  P65  A1L26 69  
A1L26 H102 H1  H 0 0 N N N N N N 139.464 121.344 152.554 -14.740 1.831  0.398  H102 A1L26 70  
A1L26 H101 H2  H 0 0 N N N N N N 140.364 122.094 153.915 -14.506 0.070  0.518  H101 A1L26 71  
A1L26 H132 H3  H 0 0 N N N N N N 142.728 122.235 153.439 -10.408 0.527  -0.760 H132 A1L26 72  
A1L26 H131 H4  H 0 0 N N N N N N 142.971 122.146 155.216 -10.642 2.288  -0.879 H131 A1L26 73  
A1L26 H151 H5  H 0 0 N N N N N N 144.116 119.239 154.351 -7.995  0.884  -0.220 H151 A1L26 74  
A1L26 H152 H6  H 0 0 N N N N N N 144.831 119.603 152.744 -8.229  2.645  -0.340 H152 A1L26 75  
A1L26 H172 H7  H 0 0 N N N N N N 147.680 118.548 152.914 -5.582  1.241  0.319  H172 A1L26 76  
A1L26 H171 H8  H 0 0 N N N N N N 147.002 120.140 152.430 -5.815  3.002  0.200  H171 A1L26 77  
A1L26 H211 H9  H 0 0 N N N N N N 150.373 121.690 155.284 -3.172  3.205  3.632  H211 A1L26 78  
A1L26 H222 H10 H 0 0 N N N N N N 148.736 124.175 154.527 -1.819  4.490  1.950  H222 A1L26 79  
A1L26 H221 H11 H 0 0 N N N N N N 150.399 124.222 155.204 -0.824  3.779  3.243  H221 A1L26 80  
A1L26 H261 H12 H 0 0 N N N N N N 146.622 124.879 158.398 1.650   1.835  0.273  H261 A1L26 81  
A1L26 H262 H13 H 0 0 N N N N N N 146.098 125.035 156.687 0.656   2.546  -1.021 H262 A1L26 82  
A1L26 H282 H14 H 0 0 N N N N N N 144.617 121.723 158.066 3.679   2.050  -1.169 H282 A1L26 83  
A1L26 H281 H15 H 0 0 N N N N N N 144.814 123.249 158.992 2.684   2.760  -2.463 H281 A1L26 84  
A1L26 H011 H16 H 0 0 N N N N N N 131.148 117.443 150.504 -26.145 -0.815 -3.023 H011 A1L26 85  
A1L26 H013 H17 H 0 0 N N N N N N 132.618 116.850 151.348 -25.122 0.146  -4.116 H013 A1L26 86  
A1L26 H012 H18 H 0 0 N N N N N N 131.936 118.461 151.756 -24.888 -1.615 -3.997 H012 A1L26 87  
A1L26 H022 H19 H 0 0 N N N N N N 133.160 117.661 149.051 -24.393 0.403  -1.760 H022 A1L26 88  
A1L26 H021 H20 H 0 0 N N N N N N 132.478 119.272 149.458 -24.159 -1.358 -1.641 H021 A1L26 89  
A1L26 H032 H21 H 0 0 N N N N N N 135.153 118.195 149.972 -22.475 -1.258 -3.457 H032 A1L26 90  
A1L26 H031 H22 H 0 0 N N N N N N 134.547 119.878 150.134 -22.708 0.503  -3.577 H031 A1L26 91  
A1L26 H042 H23 H 0 0 N N N N N N 133.431 118.883 152.369 -21.980 0.760  -1.220 H042 A1L26 92  
A1L26 H041 H24 H 0 0 N N N N N N 134.762 117.686 152.215 -21.746 -1.001 -1.101 H041 A1L26 93  
A1L26 H052 H25 H 0 0 N N N N N N 134.863 120.628 152.859 -20.061 -0.901 -2.918 H052 A1L26 94  
A1L26 H051 H26 H 0 0 N N N N N N 135.861 119.273 153.487 -20.295 0.860  -3.037 H051 A1L26 95  
A1L26 H062 H27 H 0 0 N N N N N N 136.466 119.526 150.689 -19.566 1.117  -0.681 H062 A1L26 96  
A1L26 H061 H28 H 0 0 N N N N N N 136.484 121.184 151.381 -19.333 -0.644 -0.562 H061 A1L26 97  
A1L26 H072 H29 H 0 0 N N N N N N 138.334 118.873 151.868 -17.648 -0.544 -2.378 H072 A1L26 98  
A1L26 H071 H30 H 0 0 N N N N N N 138.645 120.640 151.968 -17.882 1.217  -2.498 H071 A1L26 99  
A1L26 H081 H31 H 0 0 N N N N N N 136.919 120.233 154.115 -17.153 1.474  -0.141 H081 A1L26 100 
A1L26 H082 H32 H 0 0 N N N N N N 137.862 118.704 154.102 -16.920 -0.287 -0.022 H082 A1L26 101 
A1L26 H091 H33 H 0 0 N N N N N N 138.630 121.256 155.163 -15.469 1.574  -1.958 H091 A1L26 102 
A1L26 H092 H34 H 0 0 N N N N N N 139.597 119.744 155.091 -15.235 -0.187 -1.839 H092 A1L26 103 
A1L26 H112 H35 H 0 0 N N N N N N 140.857 119.192 153.105 -12.822 0.170  -1.299 H112 A1L26 104 
A1L26 H111 H36 H 0 0 N N N N N N 141.670 120.544 152.246 -13.055 1.931  -1.419 H111 A1L26 105 
A1L26 H121 H37 H 0 0 N N N N N N 141.792 120.211 155.287 -12.093 0.427  1.057  H121 A1L26 106 
A1L26 H122 H38 H 0 0 N N N N N N 142.980 119.443 154.180 -12.327 2.187  0.938  H122 A1L26 107 
A1L26 H142 H39 H 0 0 N N N N N N 144.960 121.887 153.159 -9.913  2.544  1.477  H142 A1L26 108 
A1L26 H141 H40 H 0 0 N N N N N N 145.176 121.665 154.928 -9.680  0.784  1.597  H141 A1L26 109 
A1L26 H161 H41 H 0 0 N N N N N N 146.541 120.040 155.208 -7.500  2.901  2.017  H161 A1L26 110 
A1L26 H162 H42 H 0 0 N N N N N N 146.241 118.352 154.672 -7.266  1.141  2.136  H162 A1L26 111 
A1L26 H272 H43 H 0 0 N N N N N N 146.278 122.606 156.351 2.030   4.608  -0.945 H272 A1L26 112 
A1L26 H271 H44 H 0 0 N N N N N N 146.995 122.391 157.983 3.024   3.898  0.349  H271 A1L26 113 
A1L26 H291 H45 H 0 0 N N N N N N 144.012 123.823 156.064 4.237   4.881  -2.322 H291 A1L26 114 
A1L26 H301 H46 H 0 0 N N N N N N 142.469 123.267 158.706 5.862   2.446  -1.522 H301 A1L26 115 
A1L26 H311 H47 H 0 0 N N N N N N 141.327 125.312 157.256 7.323   3.931  -3.129 H311 A1L26 116 
A1L26 H312 H48 H 0 0 N N N N N N 141.789 124.341 155.817 6.428   5.338  -2.506 H312 A1L26 117 
A1L26 H321 H49 H 0 0 N N N N N N 140.138 122.515 157.549 7.428   4.769  -0.139 H321 A1L26 118 
A1L26 H331 H50 H 0 0 N N N N N N 139.246 124.998 155.896 9.392   3.843  -2.260 H331 A1L26 119 
A1L26 H342 H51 H 0 0 N N N N N N 137.857 122.378 155.904 10.739  5.047  -0.345 H342 A1L26 120 
A1L26 H341 H52 H 0 0 N N N N N N 137.613 123.022 157.563 9.464   4.510  0.774  H341 A1L26 121 
A1L26 H351 H53 H 0 0 N N N N N N 136.428 125.184 156.376 10.152  2.041  0.177  H351 A1L26 122 
A1L26 H361 H54 H 0 0 N N N N N N 136.220 122.607 154.644 12.600  3.814  -0.098 H361 A1L26 123 
A1L26 H372 H55 H 0 0 N N N N N N 133.978 124.482 155.148 13.306  1.607  1.148  H372 A1L26 124 
A1L26 H371 H56 H 0 0 N N N N N N 135.136 125.423 154.148 12.012  0.783  0.247  H371 A1L26 125 
A1L26 H381 H57 H 0 0 N N N N N N 134.882 123.134 152.445 13.318  1.404  -1.952 H381 A1L26 126 
A1L26 H391 H58 H 0 0 N N N N N N 132.350 124.449 153.688 15.325  1.099  0.304  H391 A1L26 127 
A1L26 H401 H59 H 0 0 N N N N N N 133.088 122.799 151.092 16.281  -0.108 -1.830 H401 A1L26 128 
A1L26 H402 H60 H 0 0 N N N N N N 131.629 122.392 152.058 15.370  1.072  -2.803 H402 A1L26 129 
A1L26 H411 H61 H 0 0 N N N N N N 132.025 125.226 150.975 16.687  2.917  -1.796 H411 A1L26 130 
A1L26 H412 H62 H 0 0 N N N N N N 131.369 123.937 149.910 17.597  1.736  -0.823 H412 A1L26 131 
A1L26 H422 H63 H 0 0 N N N N N N 129.421 123.644 151.275 18.407  0.650  -2.900 H422 A1L26 132 
A1L26 H421 H64 H 0 0 N N N N N N 130.150 124.534 152.655 17.497  1.831  -3.873 H421 A1L26 133 
A1L26 H431 H65 H 0 0 N N N N N N 130.192 126.563 150.922 18.813  3.675  -2.866 H431 A1L26 134 
A1L26 H432 H66 H 0 0 N N N N N N 128.914 125.610 150.094 19.724  2.495  -1.894 H432 A1L26 135 
A1L26 H441 H67 H 0 0 N N N N N N 127.922 127.278 151.654 20.985  3.130  -3.932 H441 A1L26 136 
A1L26 H442 H68 H 0 0 N N N N N N 127.562 125.602 152.191 20.534  1.409  -3.971 H442 A1L26 137 
A1L26 H443 H69 H 0 0 N N N N N N 128.840 126.555 153.019 19.623  2.589  -4.943 H443 A1L26 138 
A1L26 H451 H70 H 0 0 N N N N N N 150.880 121.422 152.935 -1.531  1.483  4.211  H451 A1L26 139 
A1L26 H452 H71 H 0 0 N N N N N N 149.794 122.780 152.482 -2.986  0.701  3.547  H452 A1L26 140 
A1L26 H511 H72 H 0 0 N N N N N N 153.176 124.950 154.776 1.003   -2.776 1.990  H511 A1L26 141 
A1L26 H521 H73 H 0 0 N N N N N N 155.675 125.813 153.664 2.658   -1.149 0.008  H521 A1L26 142 
A1L26 H531 H74 H 0 0 N N N N N N 157.067 125.616 155.790 3.351   -3.584 1.713  H531 A1L26 143 
A1L26 H541 H75 H 0 0 N N N N N N 156.583 123.806 157.323 3.119   -3.222 -1.309 H541 A1L26 144 
A1L26 H551 H76 H 0 0 N N N N N N 155.813 122.151 155.920 1.257   -4.845 -1.094 H551 A1L26 145 
A1L26 H561 H77 H 0 0 N N N N N N 154.727 122.479 154.074 0.771   -2.414 -1.031 H561 A1L26 146 
A1L26 H1   H78 H 0 1 N N N N N N 152.314 123.432 150.332 -2.374  -1.898 1.841  H1   A1L26 147 
A1L26 H571 H79 H 0 0 N N N N N N 152.406 122.656 154.269 -1.029  -3.948 -0.698 H571 A1L26 148 
A1L26 H581 H80 H 0 0 N N N N N N 153.930 122.909 157.796 0.533   -5.344 1.128  H581 A1L26 149 
A1L26 H2   H81 H 0 1 N N N N N N 152.108 123.672 156.742 3.220   -6.297 -2.963 H2   A1L26 150 
A1L26 H3   H82 H 0 1 N N N N N N 152.705 125.669 159.548 6.243   -6.846 -2.237 H3   A1L26 151 
A1L26 H4   H83 H 0 1 N N N N N N 157.802 124.436 151.577 6.442   -4.931 0.801  H4   A1L26 152 
A1L26 H5   H84 H 0 1 N N N N N N 160.061 124.856 154.222 8.090   -2.453 1.854  H5   A1L26 153 
A1L26 H691 H85 H 0 0 N N N N N N 155.463 127.182 155.534 2.439   -0.165 2.173  H691 A1L26 154 
# 
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 
A1L26 C02 C01  SING N N 1   
A1L26 C03 C02  SING N N 2   
A1L26 C04 C03  SING N N 3   
A1L26 C05 C04  SING N N 4   
A1L26 C06 C05  SING N N 5   
A1L26 C07 C06  SING N N 6   
A1L26 C08 C07  SING N N 7   
A1L26 C09 C08  SING N N 8   
A1L26 C10 C09  SING N N 9   
A1L26 C11 C10  SING N N 10  
A1L26 C12 C11  SING N N 11  
A1L26 C13 C12  SING N N 12  
A1L26 C14 C13  SING N N 13  
A1L26 C15 C14  SING N N 14  
A1L26 C16 C15  SING N N 15  
A1L26 C17 C16  SING N N 16  
A1L26 C18 C17  SING N N 17  
A1L26 O19 C18  DOUB N N 18  
A1L26 O20 C18  SING N N 19  
A1L26 C21 O20  SING N N 20  
A1L26 O23 C22  SING N N 21  
A1L26 C24 O23  SING N N 22  
A1L26 O25 C24  DOUB N N 23  
A1L26 C26 C24  SING N N 24  
A1L26 C27 C26  SING N N 25  
A1L26 C28 C27  SING N N 26  
A1L26 C29 C28  SING N N 27  
A1L26 C30 C29  DOUB N E 28  
A1L26 C31 C30  SING N N 29  
A1L26 C32 C31  SING N N 30  
A1L26 C33 C32  DOUB N E 31  
A1L26 C34 C33  SING N N 32  
A1L26 C35 C34  SING N N 33  
A1L26 C36 C35  DOUB N E 34  
A1L26 C37 C36  SING N N 35  
A1L26 C38 C37  SING N N 36  
A1L26 C39 C38  DOUB N E 37  
A1L26 C40 C39  SING N N 38  
A1L26 C41 C40  SING N N 39  
A1L26 C42 C41  SING N N 40  
A1L26 C43 C42  SING N N 41  
A1L26 C44 C43  SING N N 42  
A1L26 C22 C21  SING N N 43  
A1L26 C45 C21  SING N N 44  
A1L26 O46 C45  SING N N 45  
A1L26 P47 O46  SING N N 46  
A1L26 O48 P47  SING N N 47  
A1L26 O49 P47  DOUB N N 48  
A1L26 O50 P47  SING N N 49  
A1L26 C51 O50  SING N N 50  
A1L26 C52 C51  SING N N 51  
A1L26 O57 C56  SING N N 52  
A1L26 C56 C55  SING N N 53  
A1L26 O58 C55  SING N N 54  
A1L26 C55 C54  SING N N 55  
A1L26 O59 C54  SING N N 56  
A1L26 P60 O59  SING N N 57  
A1L26 O61 P60  SING N N 58  
A1L26 O62 P60  DOUB N N 59  
A1L26 O63 P60  SING N N 60  
A1L26 C54 C53  SING N N 61  
A1L26 O64 C53  SING N N 62  
A1L26 P65 O64  SING N N 63  
A1L26 O66 P65  DOUB N N 64  
A1L26 O67 P65  SING N N 65  
A1L26 O68 P65  SING N N 66  
A1L26 C53 C52  SING N N 67  
A1L26 O69 C52  SING N N 68  
A1L26 C51 C56  SING N N 69  
A1L26 C10 H102 SING N N 70  
A1L26 C10 H101 SING N N 71  
A1L26 C13 H132 SING N N 72  
A1L26 C13 H131 SING N N 73  
A1L26 C15 H151 SING N N 74  
A1L26 C15 H152 SING N N 75  
A1L26 C17 H172 SING N N 76  
A1L26 C17 H171 SING N N 77  
A1L26 C21 H211 SING N N 78  
A1L26 C22 H222 SING N N 79  
A1L26 C22 H221 SING N N 80  
A1L26 C26 H261 SING N N 81  
A1L26 C26 H262 SING N N 82  
A1L26 C28 H282 SING N N 83  
A1L26 C28 H281 SING N N 84  
A1L26 C01 H011 SING N N 85  
A1L26 C01 H013 SING N N 86  
A1L26 C01 H012 SING N N 87  
A1L26 C02 H022 SING N N 88  
A1L26 C02 H021 SING N N 89  
A1L26 C03 H032 SING N N 90  
A1L26 C03 H031 SING N N 91  
A1L26 C04 H042 SING N N 92  
A1L26 C04 H041 SING N N 93  
A1L26 C05 H052 SING N N 94  
A1L26 C05 H051 SING N N 95  
A1L26 C06 H062 SING N N 96  
A1L26 C06 H061 SING N N 97  
A1L26 C07 H072 SING N N 98  
A1L26 C07 H071 SING N N 99  
A1L26 C08 H081 SING N N 100 
A1L26 C08 H082 SING N N 101 
A1L26 C09 H091 SING N N 102 
A1L26 C09 H092 SING N N 103 
A1L26 C11 H112 SING N N 104 
A1L26 C11 H111 SING N N 105 
A1L26 C12 H121 SING N N 106 
A1L26 C12 H122 SING N N 107 
A1L26 C14 H142 SING N N 108 
A1L26 C14 H141 SING N N 109 
A1L26 C16 H161 SING N N 110 
A1L26 C16 H162 SING N N 111 
A1L26 C27 H272 SING N N 112 
A1L26 C27 H271 SING N N 113 
A1L26 C29 H291 SING N N 114 
A1L26 C30 H301 SING N N 115 
A1L26 C31 H311 SING N N 116 
A1L26 C31 H312 SING N N 117 
A1L26 C32 H321 SING N N 118 
A1L26 C33 H331 SING N N 119 
A1L26 C34 H342 SING N N 120 
A1L26 C34 H341 SING N N 121 
A1L26 C35 H351 SING N N 122 
A1L26 C36 H361 SING N N 123 
A1L26 C37 H372 SING N N 124 
A1L26 C37 H371 SING N N 125 
A1L26 C38 H381 SING N N 126 
A1L26 C39 H391 SING N N 127 
A1L26 C40 H401 SING N N 128 
A1L26 C40 H402 SING N N 129 
A1L26 C41 H411 SING N N 130 
A1L26 C41 H412 SING N N 131 
A1L26 C42 H422 SING N N 132 
A1L26 C42 H421 SING N N 133 
A1L26 C43 H431 SING N N 134 
A1L26 C43 H432 SING N N 135 
A1L26 C44 H441 SING N N 136 
A1L26 C44 H442 SING N N 137 
A1L26 C44 H443 SING N N 138 
A1L26 C45 H451 SING N N 139 
A1L26 C45 H452 SING N N 140 
A1L26 C51 H511 SING N N 141 
A1L26 C52 H521 SING N N 142 
A1L26 C53 H531 SING N N 143 
A1L26 C54 H541 SING N N 144 
A1L26 C55 H551 SING N N 145 
A1L26 C56 H561 SING N N 146 
A1L26 O48 H1   SING N N 147 
A1L26 O57 H571 SING N N 148 
A1L26 O58 H581 SING N N 149 
A1L26 O61 H2   SING N N 150 
A1L26 O63 H3   SING N N 151 
A1L26 O67 H4   SING N N 152 
A1L26 O68 H5   SING N N 153 
A1L26 O69 H691 SING N N 154 
# 
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 
A1L26 InChI            InChI                1.06  "InChI=1S/C47H85O19P3/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(48)61-37-39(63-41(49)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h11,13,17,19,22-23,27,29,39,42-47,50-52H,3-10,12,14-16,18,20-21,24-26,28,30-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b13-11+,19-17+,23-22+,29-27+/t39-,42-,43+,44-,45+,46+,47+/m1/s1" 
A1L26 InChIKey         InChI                1.06  WSOUXFSBLZNSFX-BSWMUMJKSA-N                                                                                                                                                                                                                                                                                                                                                                                                 
A1L26 SMILES_CANONICAL CACTVS               3.385 "CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCC/C=C/C/C=C/C/C=C/C/C=C/CCCCC)CO[P](O)(=O)O[C@H]1[C@H](O)[C@H](O)[C@H](O[P](O)(O)=O)[C@@H](O[P](O)(O)=O)[C@@H]1O"                                                                                                                                                                                                                                                                    
A1L26 SMILES           CACTVS               3.385 "CCCCCCCCCCCCCCCCCC(=O)O[CH](COC(=O)CCCC=CCC=CCC=CCC=CCCCCC)CO[P](O)(=O)O[CH]1[CH](O)[CH](O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]1O"                                                                                                                                                                                                                                                                                     
A1L26 SMILES_CANONICAL "OpenEye OEToolkits" 2.0.7 "CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCC/C=C/C/C=C/C/C=C/C/C=C/CCCCC)COP(=O)(O)O[C@H]1[C@@H]([C@@H]([C@@H]([C@H]([C@@H]1O)OP(=O)(O)O)OP(=O)(O)O)O)O"                                                                                                                                                                                                                                                                        
A1L26 SMILES           "OpenEye OEToolkits" 2.0.7 "CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCC=CCC=CCC=CCC=CCCCCC)COP(=O)(O)OC1C(C(C(C(C1O)OP(=O)(O)O)OP(=O)(O)O)O)O"                                                                                                                                                                                                                                                                                                                
# 
_pdbx_chem_comp_identifier.comp_id           A1L26 
_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~{R})-2-octadecanoyloxy-3-[oxidanyl-[(1~{S},2~{R},3~{S},4~{S},5~{S},6~{R})-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] (5~{E},8~{E},11~{E},14~{E})-icosa-5,8,11,14-tetraenoate" 
# 
loop_
_pdbx_chem_comp_synonyms.ordinal 
_pdbx_chem_comp_synonyms.comp_id 
_pdbx_chem_comp_synonyms.name 
_pdbx_chem_comp_synonyms.provenance 
_pdbx_chem_comp_synonyms.type 
1 A1L26 "[(2R)-3-[hydroxy-[(1S,5S)-2,3,6-trihydroxy-4,5-diphosphonooxycyclohexyl]oxyphosphoryl]oxy-2-octadecanoyloxypropyl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate" AUTHOR  ? 
2 A1L26 "Phosphatidylinositol Diphosphate(20:4n6/18:0)"                                                                                                                  PUBCHEM ? 
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
A1L26 "Create component"   2024-07-24 PDBJ 
A1L26 "Modify name"        2024-09-04 PDBJ 
A1L26 "Other modification" 2024-09-09 PDBJ 
A1L26 "Initial release"    2024-09-18 RCSB 
# 
