data_A1I0N
# 
_chem_comp.id                                    A1I0N 
_chem_comp.name                                  "dolichol-phosphate-mannose (n=2)" 
_chem_comp.type                                  non-polymer 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C37 H65 O9 P" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         "[(3S,6E,10Z,14Z,18Z,22Z)-3,7,11,15,19,23-hexamethylpentacosa-6,10,14,18,22-pentaenyl] [(2S,3S,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] hydrogen phosphate" 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2025-01-30 
_chem_comp.pdbx_modified_date                    2025-12-19 
_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                        684.880 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     A1I0N 
_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        9I5L 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  PDBE 
_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 
A1I0N O1    O1  O 0 1 N N N N N N 142.317 105.302 93.677  -3.757  1.235  -0.406 O1    A1I0N 1   
A1I0N "O1'" O2  O 0 1 N N N N N N 143.427 105.077 96.163  -5.831  -0.376 -0.285 "O1'" A1I0N 2   
A1I0N O2    O3  O 0 1 N N N N N N 142.556 107.378 95.264  -5.369  1.009  -2.471 O2    A1I0N 3   
A1I0N O3    O4  O 0 1 N N N N N N 144.578 106.417 94.259  -6.116  2.131  -0.337 O3    A1I0N 4   
A1I0N C1    C1  C 0 1 N N N N N N 141.116 105.906 93.197  -3.023  2.431  -0.673 C1    A1I0N 5   
A1I0N C2    C2  C 0 1 N N N N N N 140.082 105.986 94.350  -1.608  2.299  -0.105 C2    A1I0N 6   
A1I0N C3    C3  C 0 1 N N S N N N 138.640 105.862 93.840  -0.822  3.580  -0.391 C3    A1I0N 7   
A1I0N C4    C4  C 0 1 N N N N N N 138.440 104.522 93.171  -1.456  4.748  0.368  C4    A1I0N 8   
A1I0N C5    C5  C 0 1 N N N N N N 137.687 105.961 95.022  0.627   3.402  0.066  C5    A1I0N 9   
A1I0N C6    C6  C 0 1 N N N N N N 136.769 107.180 94.811  1.442   4.634  -0.332 C6    A1I0N 10  
A1I0N C7    C7  C 0 1 N N N N N N 135.536 107.150 95.740  2.870   4.458  0.117  C7    A1I0N 11  
A1I0N C8    C8  C 0 1 N N N N N N 134.350 107.562 95.280  3.838   4.448  -0.765 C8    A1I0N 12  
A1I0N "C1'" C9  C 0 1 N N S N N N 144.122 105.525 97.303  -7.187  -0.804 -0.430 "C1'" A1I0N 13  
A1I0N "C2'" C10 C 0 1 N N S N N N 145.419 104.825 97.402  -7.237  -2.333 -0.487 "C2'" A1I0N 14  
A1I0N "C3'" C11 C 0 1 N N S N N N 146.178 105.255 98.569  -8.698  -2.785 -0.581 "C3'" A1I0N 15  
A1I0N "C4'" C12 C 0 1 N N S N N N 146.375 106.722 98.619  -9.473  -2.222 0.613  "C4'" A1I0N 16  
A1I0N "C5'" C13 C 0 1 N N R N N N 145.044 107.503 98.506  -9.337  -0.697 0.628  "C5'" A1I0N 17  
A1I0N "C6'" C14 C 0 1 N N N N N N 145.310 108.897 98.369  -10.059 -0.132 1.853  "C6'" A1I0N 18  
A1I0N C10   C15 C 0 1 N N N N N N 133.137 107.526 96.219  5.274   4.430  -0.308 C10   A1I0N 19  
A1I0N C11   C16 C 0 1 N N N N N N 132.837 108.892 96.907  5.781   2.986  -0.275 C11   A1I0N 20  
A1I0N C12   C17 C 0 1 N N N N N N 133.827 109.155 98.071  7.216   2.968  0.182  C12   A1I0N 21  
A1I0N C13   C18 C 0 1 N N N N N N 133.351 109.322 99.336  7.547   2.333  1.279  C13   A1I0N 22  
A1I0N C14   C19 C 0 1 N N N N N N 134.382 109.612 100.456 8.999   2.177  1.651  C14   A1I0N 23  
A1I0N C15   C20 C 0 1 N N N N N N 131.800 109.239 99.555  6.475   1.758  2.168  C15   A1I0N 24  
A1I0N C16   C21 C 0 1 N N N N N N 131.275 108.031 100.408 6.270   0.280  1.830  C16   A1I0N 25  
A1I0N C17   C22 C 0 1 N N N N N N 132.126 107.727 101.636 5.198   -0.295 2.720  C17   A1I0N 26  
A1I0N C18   C23 C 0 1 N N N N N N 131.727 106.949 102.658 4.080   -0.734 2.198  C18   A1I0N 27  
A1I0N C19   C24 C 0 1 N N N N N N 132.733 106.807 103.797 3.029   -1.356 3.082  C19   A1I0N 28  
A1I0N C20   C25 C 0 1 N N N N N N 130.302 106.289 102.626 3.843   -0.617 0.714  C20   A1I0N 29  
A1I0N C21   C26 C 0 1 N N N N N N 129.754 105.698 103.971 4.276   -1.913 0.025  C21   A1I0N 30  
A1I0N C22   C27 C 0 1 N N N N N N 130.640 104.583 104.599 4.039   -1.796 -1.458 C22   A1I0N 31  
A1I0N C23   C28 C 0 1 N N N N N N 130.104 103.531 105.262 5.049   -1.867 -2.290 C23   A1I0N 32  
A1I0N C24   C29 C 0 1 N N N N N N 131.056 102.461 105.856 4.804   -1.838 -3.777 C24   A1I0N 33  
A1I0N C25   C30 C 0 1 N N N N N N 128.557 103.412 105.413 6.455   -1.978 -1.760 C25   A1I0N 34  
A1I0N C26   C31 C 0 1 N N N N N N 128.180 102.886 106.829 6.857   -3.452 -1.682 C26   A1I0N 35  
A1I0N C27   C32 C 0 1 N N N N N N 128.110 101.342 106.977 8.263   -3.563 -1.152 C27   A1I0N 36  
A1I0N C28   C33 C 0 1 N N N N N N 127.436 100.828 108.010 8.490   -4.187 -0.023 C28   A1I0N 37  
A1I0N C29   C34 C 0 1 N N N N N N 127.367 99.309  108.171 9.906   -4.444 0.424  C29   A1I0N 38  
A1I0N C30   C35 C 0 1 N N N N N N 126.743 101.731 109.034 7.336   -4.647 0.829  C30   A1I0N 39  
A1I0N C31   C36 C 0 1 N N N N N N 125.480 101.067 109.625 7.025   -6.113 0.518  C31   A1I0N 40  
A1I0N C9    C37 C 0 1 N N N N N N 134.201 108.061 93.847  3.516   4.453  -2.237 C9    A1I0N 41  
A1I0N "O2'" O5  O 0 1 N N N N N N 146.218 105.116 96.191  -6.645  -2.874 0.696  "O2'" A1I0N 42  
A1I0N "O3'" O6  O 0 1 N N N N N N 147.510 104.599 98.538  -8.758  -4.212 -0.561 "O3'" A1I0N 43  
A1I0N "O4'" O7  O 0 1 N N N N N N 147.006 107.056 99.858  -10.853 -2.577 0.497  "O4'" A1I0N 44  
A1I0N "O5'" O8  O 0 1 N N N N N N 144.311 106.982 97.263  -7.953  -0.345 0.686  "O5'" A1I0N 45  
A1I0N "O6'" O9  O 0 1 N N N N N N 145.686 109.386 99.619  -10.032 1.296  1.805  "O6'" A1I0N 46  
A1I0N P1    P1  P 0 1 N N N N N N 143.223 106.086 94.843  -5.286  1.024  -0.863 P1    A1I0N 47  
A1I0N H1    H1  H 0 1 N N N N N N 143.131 108.109 95.071  -4.848  0.307  -2.885 H1    A1I0N 48  
A1I0N H2    H2  H 0 1 N N N N N N 141.336 106.920 92.831  -2.968  2.592  -1.750 H2    A1I0N 49  
A1I0N H3    H3  H 0 1 N N N N N N 140.704 105.301 92.376  -3.525  3.278  -0.205 H3    A1I0N 50  
A1I0N H4    H4  H 0 1 N N N N N N 140.279 105.170 95.060  -1.663  2.139  0.972  H4    A1I0N 51  
A1I0N H5    H5  H 0 1 N N N N N N 140.195 106.953 94.862  -1.106  1.453  -0.573 H5    A1I0N 52  
A1I0N H6    H6  H 0 1 N N N N N N 138.431 106.672 93.125  -0.843  3.789  -1.461 H6    A1I0N 53  
A1I0N H7    H7  H 0 1 N N N N N N 137.404 104.443 92.809  -0.896  5.661  0.165  H7    A1I0N 54  
A1I0N H8    H8  H 0 1 N N N N N N 139.133 104.429 92.322  -2.489  4.875  0.043  H8    A1I0N 55  
A1I0N H9    H9  H 0 1 N N N N N N 138.638 103.718 93.895  -1.435  4.540  1.438  H9    A1I0N 56  
A1I0N H10   H10 H 0 1 N N N N N N 137.080 105.046 95.086  0.655   3.283  1.149  H10   A1I0N 57  
A1I0N H11   H11 H 0 1 N N N N N N 138.261 106.086 95.952  1.051   2.517  -0.408 H11   A1I0N 58  
A1I0N H12   H12 H 0 1 N N N N N N 137.344 108.096 95.015  1.415   4.754  -1.415 H12   A1I0N 59  
A1I0N H13   H13 H 0 1 N N N N N N 136.425 107.188 93.766  1.018   5.519  0.142  H13   A1I0N 60  
A1I0N H14   H14 H 0 1 N N N N N N 135.631 106.798 96.757  3.095   4.341  1.167  H14   A1I0N 61  
A1I0N H15   H15 H 0 1 N N N N N N 143.533 105.280 98.200  -7.601  -0.392 -1.350 H15   A1I0N 62  
A1I0N H16   H16 H 0 1 N N N N N N 145.240 103.741 97.462  -6.690  -2.683 -1.362 H16   A1I0N 63  
A1I0N H17   H17 H 0 1 N N N N N N 145.649 104.937 99.480  -9.135  -2.413 -1.508 H17   A1I0N 64  
A1I0N H18   H18 H 0 1 N N N N N N 147.021 107.024 97.782  -9.068  -2.634 1.538  H18   A1I0N 65  
A1I0N H19   H19 H 0 1 N N N N N N 144.433 107.306 99.399  -9.780  -0.284 -0.278 H19   A1I0N 66  
A1I0N H20   H20 H 0 1 N N N N N N 146.124 109.053 97.646  -11.094 -0.476 1.855  H20   A1I0N 67  
A1I0N H21   H21 H 0 1 N N N N N N 144.406 109.418 98.021  -9.560  -0.475 2.759  H21   A1I0N 68  
A1I0N H22   H22 H 0 1 N N N N N N 132.254 107.230 95.634  5.883   5.012  -1.000 H22   A1I0N 69  
A1I0N H23   H23 H 0 1 N N N N N N 133.326 106.777 97.002  5.343   4.862  0.690  H23   A1I0N 70  
A1I0N H24   H24 H 0 1 N N N N N N 132.932 109.698 96.164  5.172   2.404  0.416  H24   A1I0N 71  
A1I0N H25   H25 H 0 1 N N N N N N 131.811 108.878 97.303  5.711   2.554  -1.273 H25   A1I0N 72  
A1I0N H26   H26 H 0 1 N N N N N N 134.889 109.205 97.880  7.973   3.479  -0.395 H26   A1I0N 73  
A1I0N H27   H27 H 0 1 N N N N N N 133.859 109.723 101.417 9.310   3.023  2.264  H27   A1I0N 74  
A1I0N H28   H28 H 0 1 N N N N N N 135.096 108.778 100.522 9.133   1.253  2.213  H28   A1I0N 75  
A1I0N H29   H29 H 0 1 N N N N N N 134.924 110.541 100.224 9.605   2.143  0.746  H29   A1I0N 76  
A1I0N H30   H30 H 0 1 N N N N N N 131.484 110.165 100.058 6.779   1.854  3.211  H30   A1I0N 77  
A1I0N H31   H31 H 0 1 N N N N N N 131.326 109.179 98.564  5.543   2.300  2.010  H31   A1I0N 78  
A1I0N H32   H32 H 0 1 N N N N N N 130.253 108.262 100.743 5.967   0.185  0.788  H32   A1I0N 79  
A1I0N H33   H33 H 0 1 N N N N N N 131.258 107.136 99.768  7.203   -0.262 1.988  H33   A1I0N 80  
A1I0N H34   H34 H 0 1 N N N N N N 133.112 108.164 101.689 5.352   -0.345 3.788  H34   A1I0N 81  
A1I0N H35   H35 H 0 1 N N N N N N 132.314 106.155 104.578 2.348   -0.583 3.436  H35   A1I0N 82  
A1I0N H36   H36 H 0 1 N N N N N N 133.663 106.365 103.411 2.471   -2.100 2.513  H36   A1I0N 83  
A1I0N H37   H37 H 0 1 N N N N N N 132.947 107.798 104.223 3.509   -1.835 3.935  H37   A1I0N 84  
A1I0N H38   H38 H 0 1 N N N N N N 129.590 107.056 102.287 2.784   -0.442 0.528  H38   A1I0N 85  
A1I0N H39   H39 H 0 1 N N N N N N 130.334 105.469 101.893 4.424   0.216  0.319  H39   A1I0N 86  
A1I0N H40   H40 H 0 1 N N N N N N 129.671 106.520 104.698 5.335   -2.088 0.212  H40   A1I0N 87  
A1I0N H41   H41 H 0 1 N N N N N N 128.757 105.276 103.779 3.695   -2.746 0.421  H41   A1I0N 88  
A1I0N H42   H42 H 0 1 N N N N N N 131.714 104.650 104.503 3.038   -1.653 -1.836 H42   A1I0N 89  
A1I0N H43   H43 H 0 1 N N N N N N 130.464 101.681 106.358 4.823   -0.807 -4.128 H43   A1I0N 90  
A1I0N H44   H44 H 0 1 N N N N N N 131.648 102.008 105.047 5.582   -2.409 -4.284 H44   A1I0N 91  
A1I0N H45   H45 H 0 1 N N N N N N 131.731 102.935 106.584 3.831   -2.278 -3.993 H45   A1I0N 92  
A1I0N H46   H46 H 0 1 N N N N N N 128.103 104.402 105.263 7.137   -1.450 -2.427 H46   A1I0N 93  
A1I0N H47   H47 H 0 1 N N N N N N 128.173 102.714 104.655 6.505   -1.535 -0.765 H47   A1I0N 94  
A1I0N H48   H48 H 0 1 N N N N N N 128.932 103.260 107.540 6.174   -3.979 -1.015 H48   A1I0N 95  
A1I0N H49   H49 H 0 1 N N N N N N 127.193 103.296 107.090 6.807   -3.895 -2.677 H49   A1I0N 96  
A1I0N H50   H50 H 0 1 N N N N N N 128.596 100.697 106.260 9.083   -3.128 -1.703 H50   A1I0N 97  
A1I0N H51   H51 H 0 1 N N N N N N 126.778 99.061  109.066 10.254  -3.606 1.028  H51   A1I0N 98  
A1I0N H52   H52 H 0 1 N N N N N N 126.889 98.868  107.284 9.939   -5.357 1.018  H52   A1I0N 99  
A1I0N H53   H53 H 0 1 N N N N N N 128.385 98.905  108.278 10.549  -4.554 -0.449 H53   A1I0N 100 
A1I0N H54   H54 H 0 1 N N N N N N 127.447 101.947 109.851 7.598   -4.547 1.882  H54   A1I0N 101 
A1I0N H55   H55 H 0 1 N N N N N N 126.453 102.671 108.541 6.459   -4.036 0.614  H55   A1I0N 102 
A1I0N H56   H56 H 0 1 N N N N N N 125.014 101.747 110.354 6.762   -6.213 -0.535 H56   A1I0N 103 
A1I0N H57   H57 H 0 1 N N N N N N 124.766 100.852 108.816 7.902   -6.723 0.733  H57   A1I0N 104 
A1I0N H58   H58 H 0 1 N N N N N N 125.760 100.129 110.126 6.190   -6.446 1.134  H58   A1I0N 105 
A1I0N H59   H59 H 0 1 N N N N N N 133.156 108.351 93.666  3.348   5.478  -2.569 H59   A1I0N 106 
A1I0N H60   H60 H 0 1 N N N N N N 134.855 108.932 93.692  4.349   4.023  -2.793 H60   A1I0N 107 
A1I0N H61   H61 H 0 1 N N N N N N 134.485 107.260 93.149  2.617   3.862  -2.415 H61   A1I0N 108 
A1I0N H62   H62 H 0 1 N N N N N N 145.671 105.550 95.547  -5.720  -2.624 0.823  H62   A1I0N 109 
A1I0N H63   H63 H 0 1 N N N N N N 148.015 104.872 99.295  -8.281  -4.637 -1.288 H63   A1I0N 110 
A1I0N H64   H64 H 0 1 N N N N N N 147.825 106.580 99.935  -11.013 -3.530 0.477  H64   A1I0N 111 
A1I0N H65   H65 H 0 1 N N N N N N 145.869 110.316 99.554  -10.473 1.723  2.552  H65   A1I0N 112 
# 
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 
A1I0N C4    C3    SING N N 1   
A1I0N C1    O1    SING N N 2   
A1I0N C1    C2    SING N N 3   
A1I0N O1    P1    SING N N 4   
A1I0N C3    C2    SING N N 5   
A1I0N C3    C5    SING N N 6   
A1I0N C9    C8    SING N N 7   
A1I0N O3    P1    DOUB N N 8   
A1I0N C6    C5    SING N N 9   
A1I0N C6    C7    SING N N 10  
A1I0N P1    O2    SING N N 11  
A1I0N P1    "O1'" SING N N 12  
A1I0N C8    C7    DOUB N E 13  
A1I0N C8    C10   SING N N 14  
A1I0N "O1'" "C1'" SING N N 15  
A1I0N "O2'" "C2'" SING N N 16  
A1I0N C10   C11   SING N N 17  
A1I0N C11   C12   SING N N 18  
A1I0N "O5'" "C1'" SING N N 19  
A1I0N "O5'" "C5'" SING N N 20  
A1I0N "C1'" "C2'" SING N N 21  
A1I0N "C2'" "C3'" SING N N 22  
A1I0N C12   C13   DOUB N Z 23  
A1I0N "C6'" "C5'" SING N N 24  
A1I0N "C6'" "O6'" SING N N 25  
A1I0N "C5'" "C4'" SING N N 26  
A1I0N "O3'" "C3'" SING N N 27  
A1I0N "C3'" "C4'" SING N N 28  
A1I0N "C4'" "O4'" SING N N 29  
A1I0N C13   C15   SING N N 30  
A1I0N C13   C14   SING N N 31  
A1I0N C15   C16   SING N N 32  
A1I0N C16   C17   SING N N 33  
A1I0N C17   C18   DOUB N Z 34  
A1I0N C20   C18   SING N N 35  
A1I0N C20   C21   SING N N 36  
A1I0N C18   C19   SING N N 37  
A1I0N C21   C22   SING N N 38  
A1I0N C22   C23   DOUB N Z 39  
A1I0N C23   C25   SING N N 40  
A1I0N C23   C24   SING N N 41  
A1I0N C25   C26   SING N N 42  
A1I0N C26   C27   SING N N 43  
A1I0N C27   C28   DOUB N Z 44  
A1I0N C28   C29   SING N N 45  
A1I0N C28   C30   SING N N 46  
A1I0N C30   C31   SING N N 47  
A1I0N O2    H1    SING N N 48  
A1I0N C1    H2    SING N N 49  
A1I0N C1    H3    SING N N 50  
A1I0N C2    H4    SING N N 51  
A1I0N C2    H5    SING N N 52  
A1I0N C3    H6    SING N N 53  
A1I0N C4    H7    SING N N 54  
A1I0N C4    H8    SING N N 55  
A1I0N C4    H9    SING N N 56  
A1I0N C5    H10   SING N N 57  
A1I0N C5    H11   SING N N 58  
A1I0N C6    H12   SING N N 59  
A1I0N C6    H13   SING N N 60  
A1I0N C7    H14   SING N N 61  
A1I0N "C1'" H15   SING N N 62  
A1I0N "C2'" H16   SING N N 63  
A1I0N "C3'" H17   SING N N 64  
A1I0N "C4'" H18   SING N N 65  
A1I0N "C5'" H19   SING N N 66  
A1I0N "C6'" H20   SING N N 67  
A1I0N "C6'" H21   SING N N 68  
A1I0N C10   H22   SING N N 69  
A1I0N C10   H23   SING N N 70  
A1I0N C11   H24   SING N N 71  
A1I0N C11   H25   SING N N 72  
A1I0N C12   H26   SING N N 73  
A1I0N C14   H27   SING N N 74  
A1I0N C14   H28   SING N N 75  
A1I0N C14   H29   SING N N 76  
A1I0N C15   H30   SING N N 77  
A1I0N C15   H31   SING N N 78  
A1I0N C16   H32   SING N N 79  
A1I0N C16   H33   SING N N 80  
A1I0N C17   H34   SING N N 81  
A1I0N C19   H35   SING N N 82  
A1I0N C19   H36   SING N N 83  
A1I0N C19   H37   SING N N 84  
A1I0N C20   H38   SING N N 85  
A1I0N C20   H39   SING N N 86  
A1I0N C21   H40   SING N N 87  
A1I0N C21   H41   SING N N 88  
A1I0N C22   H42   SING N N 89  
A1I0N C24   H43   SING N N 90  
A1I0N C24   H44   SING N N 91  
A1I0N C24   H45   SING N N 92  
A1I0N C25   H46   SING N N 93  
A1I0N C25   H47   SING N N 94  
A1I0N C26   H48   SING N N 95  
A1I0N C26   H49   SING N N 96  
A1I0N C27   H50   SING N N 97  
A1I0N C29   H51   SING N N 98  
A1I0N C29   H52   SING N N 99  
A1I0N C29   H53   SING N N 100 
A1I0N C30   H54   SING N N 101 
A1I0N C30   H55   SING N N 102 
A1I0N C31   H56   SING N N 103 
A1I0N C31   H57   SING N N 104 
A1I0N C31   H58   SING N N 105 
A1I0N C9    H59   SING N N 106 
A1I0N C9    H60   SING N N 107 
A1I0N C9    H61   SING N N 108 
A1I0N "O2'" H62   SING N N 109 
A1I0N "O3'" H63   SING N N 110 
A1I0N "O4'" H64   SING N N 111 
A1I0N "O6'" H65   SING N N 112 
# 
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 
A1I0N InChI            InChI                1.06  "InChI=1S/C37H65O9P/c1-8-27(2)14-9-15-28(3)16-10-17-29(4)18-11-19-30(5)20-12-21-31(6)22-13-23-32(7)24-25-44-47(42,43)46-37-36(41)35(40)34(39)33(26-38)45-37/h14,16,18,20,22,32-41H,8-13,15,17,19,21,23-26H2,1-7H3,(H,42,43)/b27-14-,28-16-,29-18-,30-20-,31-22+/t32-,33+,34+,35-,36-,37-/m0/s1" 
A1I0N InChIKey         InChI                1.06  RYYUUUNCYTWVRE-OGASEETLSA-N                                                                                                                                                                                                                                                                     
A1I0N SMILES_CANONICAL CACTVS               3.385 "CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CC\C(C)=C\CC[C@H](C)CCO[P](O)(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O"                                                                                                                                                                          
A1I0N SMILES           CACTVS               3.385 "CCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC[CH](C)CCO[P](O)(=O)O[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O"                                                                                                                                                                                             
A1I0N SMILES_CANONICAL "OpenEye OEToolkits" 2.0.7 "CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C/CC[C@H](C)CCOP(=O)(O)O[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)/C)/C)/C)/C)/C"                                                                                                                                                                       
A1I0N SMILES           "OpenEye OEToolkits" 2.0.7 "CCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(C)CCOP(=O)(O)OC1C(C(C(C(O1)CO)O)O)O)C)C)C)C)C"                                                                                                                                                                                                               
# 
_pdbx_chem_comp_identifier.comp_id           A1I0N 
_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        "[(3~{S},6~{E},10~{Z},14~{Z},18~{Z},22~{Z})-3,7,11,15,19,23-hexamethylpentacosa-6,10,14,18,22-pentaenyl] [(2~{S},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] hydrogen phosphate" 
# 
_pdbx_chem_comp_synonyms.ordinal      1 
_pdbx_chem_comp_synonyms.comp_id      A1I0N 
_pdbx_chem_comp_synonyms.name         "[(3S,6E,10Z,14Z,18Z,22Z)-3,7,11,15,19,23-hexamethylpentacosa-6,10,14,18,22-pentaenyl] [(2S,3S,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] hydrogen phosphate" 
_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 
A1I0N "Create component" 2025-01-30 PDBE 
A1I0N "Initial release"  2025-12-24 RCSB 
# 
