data_A1IIT
# 
_chem_comp.id                                    A1IIT 
_chem_comp.name                                  "[(2R)-2-octanoyloxy-3-[oxidanyl-[(1S,2R,3S,4R,5R,6R)-2,4,5-tris(oxidanyl)-3,6-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate" 
_chem_comp.type                                  non-polymer 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C25 H49 O19 P3" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         "PI(2,5)P2" 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2024-07-18 
_chem_comp.pdbx_modified_date                    2025-07-25 
_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                        746.566 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     A1IIT 
_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        9G6C 
_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 
A1IIT C4  C1  C 0 1 N N N N N N 206.834 177.148 170.469 9.549  2.273  -0.450 C4  A1IIT 1  
A1IIT C5  C2  C 0 1 N N N N N N 206.757 178.179 169.347 8.260  2.760  0.215  C5  A1IIT 2  
A1IIT C6  C3  C 0 1 N N N N N N 207.434 179.492 169.725 7.090  1.885  -0.239 C6  A1IIT 3  
A1IIT C7  C4  C 0 1 N N N N N N 206.444 180.646 169.850 5.821  2.365  0.416  C7  A1IIT 4  
A1IIT C8  C5  C 0 1 N N N N N N 206.163 182.994 170.088 3.476  2.259  0.829  C8  A1IIT 5  
A1IIT C10 C6  C 0 1 N N N N N N 204.989 183.619 167.964 0.994  2.047  1.022  C10 A1IIT 6  
A1IIT C13 C7  C 0 1 N N S N N N 202.998 186.711 162.994 -6.369 0.826  -0.341 C13 A1IIT 7  
A1IIT C15 C8  C 0 1 N N R N N N 201.976 184.648 164.092 -5.969 -0.674 1.616  C15 A1IIT 8  
A1IIT C17 C9  C 0 1 N N N N N N 204.035 184.080 171.488 3.024  -0.804 0.094  C17 A1IIT 9  
A1IIT C20 C10 C 0 1 N N N N N N 205.021 181.770 174.356 4.138  -4.461 -0.125 C20 A1IIT 10 
A1IIT C21 C11 C 0 1 N N N N N N 204.435 181.350 175.703 4.857  -5.240 -1.229 C21 A1IIT 11 
A1IIT C22 C12 C 0 1 N N N N N N 204.108 182.539 176.604 5.056  -6.690 -0.783 C22 A1IIT 12 
A1IIT C24 C13 C 0 1 N N N N N N 203.742 181.930 179.043 5.973  -8.919 -1.441 C24 A1IIT 13 
A1IIT C   C14 C 0 1 N N N N N N 205.088 175.000 172.267 14.468 3.049  -0.871 C   A1IIT 14 
A1IIT O   O1  O 0 1 N N N N N N 205.357 180.439 170.271 5.849  3.309  1.170  O   A1IIT 15 
A1IIT C1  C15 C 0 1 N N N N N N 205.381 174.138 171.043 13.179 3.535  -0.206 C1  A1IIT 16 
A1IIT C11 C16 C 0 1 N N S N N N 204.215 185.446 164.866 -4.083 0.648  0.650  C11 A1IIT 17 
A1IIT C12 C17 C 0 1 N N R N N N 204.352 186.345 163.627 -4.871 0.823  -0.650 C12 A1IIT 18 
A1IIT C14 C18 C 0 1 N N R N N N 202.109 185.470 162.802 -6.757 -0.500 0.317  C14 A1IIT 19 
A1IIT C16 C19 C 0 1 N N R N N N 203.361 184.208 164.580 -4.471 -0.677 1.308  C16 A1IIT 20 
A1IIT C18 C20 C 0 1 N N N N N N 203.981 182.758 172.251 3.220  -2.233 0.533  C18 A1IIT 21 
A1IIT C19 C21 C 0 1 N N N N N N 204.279 182.952 173.737 3.939  -3.011 -0.570 C19 A1IIT 22 
A1IIT C2  C22 C 0 1 N N N N N N 205.697 174.981 169.810 12.009 2.661  -0.661 C2  A1IIT 23 
A1IIT C23 C23 C 0 1 N N N N N N 204.737 182.412 177.991 5.775  -7.469 -1.887 C23 A1IIT 24 
A1IIT C3  C24 C 0 1 N N N N N N 207.021 175.729 169.939 10.720 3.147  0.005  C3  A1IIT 25 
A1IIT C9  C25 C 0 1 N N R N N N 204.804 183.184 169.418 2.257  1.429  0.420  C9  A1IIT 26 
A1IIT O1  O2  O 0 1 N N N N N N 206.834 181.935 169.463 4.658  1.743  0.163  O1  A1IIT 27 
A1IIT O10 O3  O 0 1 N N N N N N 201.021 187.937 160.645 -7.264 3.596  -1.853 O10 A1IIT 28 
A1IIT O11 O4  O 0 1 N N N N N N 200.828 185.850 162.372 -8.157 -0.497 0.605  O11 A1IIT 29 
A1IIT O12 O5  O 0 1 N N N N N N 201.198 183.510 163.834 -6.332 -1.912 2.231  O12 A1IIT 30 
A1IIT O13 O6  O 0 1 N N N N N N 203.966 183.499 163.529 -4.170 -1.756 0.420  O13 A1IIT 31 
A1IIT O14 O7  O 0 1 N N N N N N 206.328 182.525 163.859 -3.741 -3.794 2.025  O14 A1IIT 32 
A1IIT O15 O8  O 0 1 N N N N N N 204.478 181.567 165.174 -2.950 -3.904 -0.480 O15 A1IIT 33 
A1IIT O16 O9  O 0 1 N N N N N N 204.626 181.146 162.746 -1.841 -2.362 1.182  O16 A1IIT 34 
A1IIT O17 O10 O 0 1 N N N N N N 204.017 184.126 170.089 2.411  0.070  0.908  O17 A1IIT 35 
A1IIT O18 O11 O 0 1 N N N N N N 204.079 185.094 172.093 3.419  -0.446 -0.990 O18 A1IIT 36 
A1IIT O2  O12 O 0 1 N N N N N N 205.189 185.000 167.933 -0.155 1.342  0.547  O2  A1IIT 37 
A1IIT O3  O13 O 0 1 N N N N N N 205.933 187.131 166.687 -1.765 1.717  2.454  O3  A1IIT 38 
A1IIT O4  O14 O 0 1 N N N N N N 207.516 185.236 166.843 -2.021 3.189  0.419  O4  A1IIT 39 
A1IIT O5  O15 O 0 1 N N N N N N 205.490 185.031 165.274 -2.683 0.645  0.361  O5  A1IIT 40 
A1IIT O6  O16 O 0 1 N N N N N N 205.034 187.520 163.979 -4.508 2.061  -1.265 O6  A1IIT 41 
A1IIT O7  O17 O 0 1 N N N N N N 203.270 187.288 161.741 -7.105 0.989  -1.555 O7  A1IIT 42 
A1IIT O8  O18 O 0 1 N N N N N N 203.051 189.162 159.997 -9.105 2.287  -0.727 O8  A1IIT 43 
A1IIT O9  O19 O 0 1 N N N N N N 202.057 189.530 162.213 -8.857 2.017  -3.224 O9  A1IIT 44 
A1IIT P   P1  P 0 1 N N N N N N 206.068 185.630 166.691 -1.658 1.723  0.978  P   A1IIT 45 
A1IIT P1  P2  P 0 1 N N N N N N 202.327 188.501 161.143 -8.105 2.224  -1.816 P1  A1IIT 46 
A1IIT P2  P3  P 0 1 N N N N N N 204.866 182.157 163.839 -3.147 -2.941 0.795  P2  A1IIT 47 
A1IIT H1  H1  H 0 1 N N N N N N 207.684 177.397 171.121 9.737  1.238  -0.165 H1  A1IIT 48 
A1IIT H2  H2  H 0 1 N N N N N N 205.902 177.188 171.051 9.446  2.339  -1.533 H2  A1IIT 49 
A1IIT H3  H3  H 0 1 N N N N N N 205.699 178.378 169.121 8.363  2.694  1.299  H3  A1IIT 50 
A1IIT H4  H4  H 0 1 N N N N N N 207.252 177.769 168.454 8.073  3.795  -0.070 H4  A1IIT 51 
A1IIT H5  H5  H 0 1 N N N N N N 207.945 179.360 170.690 6.987  1.951  -1.322 H5  A1IIT 52 
A1IIT H6  H6  H 0 1 N N N N N N 208.173 179.744 168.950 7.278  0.850  0.046  H6  A1IIT 53 
A1IIT H7  H7  H 0 1 N N N N N N 206.755 183.916 169.989 3.321  3.298  0.540  H7  A1IIT 54 
A1IIT H8  H8  H 0 1 N N N N N N 206.020 182.763 171.154 3.611  2.197  1.909  H8  A1IIT 55 
A1IIT H9  H9  H 0 1 N N N N N N 204.091 183.362 167.383 1.038  1.978  2.109  H9  A1IIT 56 
A1IIT H10 H10 H 0 1 N N N N N N 205.863 183.108 167.533 0.925  3.094  0.727  H10 A1IIT 57 
A1IIT H11 H11 H 0 1 N N N N N N 202.478 187.425 163.649 -6.599 1.649  0.336  H11 A1IIT 58 
A1IIT H12 H12 H 0 1 N N N N N N 201.507 185.273 164.866 -6.199 0.149  2.293  H12 A1IIT 59 
A1IIT H13 H13 H 0 1 N N N N N N 204.963 180.916 173.665 3.168  -4.918 0.069  H13 A1IIT 60 
A1IIT H14 H14 H 0 1 N N N N N N 206.074 182.052 174.502 4.738  -4.483 0.785  H14 A1IIT 61 
A1IIT H15 H15 H 0 1 N N N N N N 203.511 180.782 175.522 4.257  -5.218 -2.138 H15 A1IIT 62 
A1IIT H16 H16 H 0 1 N N N N N N 205.165 180.709 176.219 5.827  -4.783 -1.422 H16 A1IIT 63 
A1IIT H17 H17 H 0 1 N N N N N N 204.485 183.456 176.128 5.656  -6.712 0.127  H17 A1IIT 64 
A1IIT H18 H18 H 0 1 N N N N N N 203.016 182.607 176.717 4.085  -7.147 -0.589 H18 A1IIT 65 
A1IIT H19 H19 H 0 1 N N N N N N 204.245 181.857 180.018 6.486  -9.473 -2.227 H19 A1IIT 66 
A1IIT H20 H20 H 0 1 N N N N N N 202.908 182.644 179.114 6.573  -8.940 -0.531 H20 A1IIT 67 
A1IIT H21 H21 H 0 1 N N N N N N 203.355 180.941 178.755 5.003  -9.375 -1.247 H21 A1IIT 68 
A1IIT H22 H22 H 0 1 N N N N N N 204.867 174.352 173.128 15.302 3.671  -0.547 H22 A1IIT 69 
A1IIT H23 H23 H 0 1 N N N N N N 205.965 175.624 172.494 14.655 2.013  -0.586 H23 A1IIT 70 
A1IIT H24 H24 H 0 1 N N N N N N 204.221 175.646 172.062 14.365 3.114  -1.954 H24 A1IIT 71 
A1IIT H25 H25 H 0 1 N N N N N N 204.501 173.514 170.830 13.282 3.469  0.877  H25 A1IIT 72 
A1IIT H26 H26 H 0 1 N N N N N N 206.244 173.492 171.262 12.991 4.570  -0.491 H26 A1IIT 73 
A1IIT H27 H27 H 0 1 N N N N N N 203.730 186.027 165.664 -4.312 1.471  1.327  H27 A1IIT 74 
A1IIT H28 H28 H 0 1 N N N N N N 204.935 185.793 162.875 -4.641 -0.000 -1.327 H28 A1IIT 75 
A1IIT H29 H29 H 0 1 N N N N N N 202.581 184.831 162.041 -6.528 -1.322 -0.361 H29 A1IIT 76 
A1IIT H30 H30 H 0 1 N N N N N N 203.265 183.596 165.489 -3.909 -0.802 2.233  H30 A1IIT 77 
A1IIT H31 H31 H 0 1 N N N N N N 202.976 182.324 172.142 3.820  -2.254 1.443  H31 A1IIT 78 
A1IIT H32 H32 H 0 1 N N N N N N 204.726 182.069 171.825 2.250  -2.690 0.727  H32 A1IIT 79 
A1IIT H33 H33 H 0 1 N N N N N N 204.897 183.855 173.856 4.910  -2.554 -0.764 H33 A1IIT 80 
A1IIT H34 H34 H 0 1 N N N N N N 203.327 183.086 174.271 3.339  -2.990 -1.480 H34 A1IIT 81 
A1IIT H35 H35 H 0 1 N N N N N N 204.890 175.714 169.667 11.905 2.726  -1.744 H35 A1IIT 82 
A1IIT H36 H36 H 0 1 N N N N N N 205.750 174.319 168.933 12.196 1.625  -0.375 H36 A1IIT 83 
A1IIT H37 H37 H 0 1 N N N N N N 205.568 181.694 177.937 5.175  -7.447 -2.796 H37 A1IIT 84 
A1IIT H38 H38 H 0 1 N N N N N N 205.122 183.396 178.295 6.745  -7.012 -2.080 H38 A1IIT 85 
A1IIT H39 H39 H 0 1 N N N N N N 207.674 175.176 170.630 10.532 4.182  -0.280 H39 A1IIT 86 
A1IIT H40 H40 H 0 1 N N N N N N 207.496 175.781 168.948 10.823 3.082  1.088  H40 A1IIT 87 
A1IIT H41 H41 H 0 1 N N N N N N 204.291 182.211 169.415 2.174  1.417  -0.667 H41 A1IIT 88 
A1IIT H42 H42 H 0 1 N N N N N N 200.931 188.117 159.717 -6.588 3.625  -2.544 H42 A1IIT 89 
A1IIT H43 H43 H 0 1 N N N N N N 200.289 185.076 162.257 -8.474 -1.308 1.024  H43 A1IIT 90 
A1IIT H44 H44 H 0 1 N N N N N N 201.112 182.997 164.629 -7.270 -1.980 2.455  H44 A1IIT 91 
A1IIT H45 H45 H 0 1 N N N N N N 206.786 182.043 163.180 -4.597 -4.203 1.842  H45 A1IIT 92 
A1IIT H46 H46 H 0 1 N N N N N N 204.163 180.680 165.049 -2.345 -4.642 -0.326 H46 A1IIT 93 
A1IIT H47 H47 H 0 1 N N N N N N 208.052 186.018 166.906 -1.972 3.266  -0.544 H47 A1IIT 94 
A1IIT H48 H48 H 0 1 N N N N N N 205.355 187.446 164.870 -4.970 2.238  -2.096 H48 A1IIT 95 
A1IIT H49 H49 H 0 1 N N N N N N 202.400 190.372 161.937 -9.476 2.726  -3.447 H49 A1IIT 96 
# 
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 
A1IIT O8  P1  DOUB N N 1  
A1IIT O10 P1  SING N N 2  
A1IIT P1  O7  SING N N 3  
A1IIT P1  O9  SING N N 4  
A1IIT O7  C13 SING N N 5  
A1IIT O11 C14 SING N N 6  
A1IIT O16 P2  DOUB N N 7  
A1IIT C14 C13 SING N N 8  
A1IIT C14 C15 SING N N 9  
A1IIT C13 C12 SING N N 10 
A1IIT O13 P2  SING N N 11 
A1IIT O13 C16 SING N N 12 
A1IIT C12 O6  SING N N 13 
A1IIT C12 C11 SING N N 14 
A1IIT O12 C15 SING N N 15 
A1IIT P2  O14 SING N N 16 
A1IIT P2  O15 SING N N 17 
A1IIT C15 C16 SING N N 18 
A1IIT C16 C11 SING N N 19 
A1IIT C11 O5  SING N N 20 
A1IIT O5  P   SING N N 21 
A1IIT O3  P   DOUB N N 22 
A1IIT P   O4  SING N N 23 
A1IIT P   O2  SING N N 24 
A1IIT O2  C10 SING N N 25 
A1IIT C10 C9  SING N N 26 
A1IIT C5  C6  SING N N 27 
A1IIT C5  C4  SING N N 28 
A1IIT C9  C8  SING N N 29 
A1IIT C9  O17 SING N N 30 
A1IIT O1  C7  SING N N 31 
A1IIT O1  C8  SING N N 32 
A1IIT C6  C7  SING N N 33 
A1IIT C2  C3  SING N N 34 
A1IIT C2  C1  SING N N 35 
A1IIT C7  O   DOUB N N 36 
A1IIT C3  C4  SING N N 37 
A1IIT O17 C17 SING N N 38 
A1IIT C1  C   SING N N 39 
A1IIT C17 O18 DOUB N N 40 
A1IIT C17 C18 SING N N 41 
A1IIT C18 C19 SING N N 42 
A1IIT C19 C20 SING N N 43 
A1IIT C20 C21 SING N N 44 
A1IIT C21 C22 SING N N 45 
A1IIT C22 C23 SING N N 46 
A1IIT C23 C24 SING N N 47 
A1IIT C4  H1  SING N N 48 
A1IIT C4  H2  SING N N 49 
A1IIT C5  H3  SING N N 50 
A1IIT C5  H4  SING N N 51 
A1IIT C6  H5  SING N N 52 
A1IIT C6  H6  SING N N 53 
A1IIT C8  H7  SING N N 54 
A1IIT C8  H8  SING N N 55 
A1IIT C10 H9  SING N N 56 
A1IIT C10 H10 SING N N 57 
A1IIT C13 H11 SING N N 58 
A1IIT C15 H12 SING N N 59 
A1IIT C20 H13 SING N N 60 
A1IIT C20 H14 SING N N 61 
A1IIT C21 H15 SING N N 62 
A1IIT C21 H16 SING N N 63 
A1IIT C22 H17 SING N N 64 
A1IIT C22 H18 SING N N 65 
A1IIT C24 H19 SING N N 66 
A1IIT C24 H20 SING N N 67 
A1IIT C24 H21 SING N N 68 
A1IIT C   H22 SING N N 69 
A1IIT C   H23 SING N N 70 
A1IIT C   H24 SING N N 71 
A1IIT C1  H25 SING N N 72 
A1IIT C1  H26 SING N N 73 
A1IIT C11 H27 SING N N 74 
A1IIT C12 H28 SING N N 75 
A1IIT C14 H29 SING N N 76 
A1IIT C16 H30 SING N N 77 
A1IIT C18 H31 SING N N 78 
A1IIT C18 H32 SING N N 79 
A1IIT C19 H33 SING N N 80 
A1IIT C19 H34 SING N N 81 
A1IIT C2  H35 SING N N 82 
A1IIT C2  H36 SING N N 83 
A1IIT C23 H37 SING N N 84 
A1IIT C23 H38 SING N N 85 
A1IIT C3  H39 SING N N 86 
A1IIT C3  H40 SING N N 87 
A1IIT C9  H41 SING N N 88 
A1IIT O10 H42 SING N N 89 
A1IIT O11 H43 SING N N 90 
A1IIT O12 H44 SING N N 91 
A1IIT O14 H45 SING N N 92 
A1IIT O15 H46 SING N N 93 
A1IIT O4  H47 SING N N 94 
A1IIT O6  H48 SING N N 95 
A1IIT O9  H49 SING N N 96 
# 
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 
A1IIT InChI            InChI                1.06  "InChI=1S/C25H49O19P3/c1-3-5-7-9-11-13-18(26)39-15-17(41-19(27)14-12-10-8-6-4-2)16-40-47(37,38)44-25-22(30)23(42-45(31,32)33)20(28)21(29)24(25)43-46(34,35)36/h17,20-25,28-30H,3-16H2,1-2H3,(H,37,38)(H2,31,32,33)(H2,34,35,36)/t17-,20-,21-,22-,23+,24-,25+/m1/s1" 
A1IIT InChIKey         InChI                1.06  UKNJNTJYGDDGCJ-DDHCIDQLSA-N                                                                                                                                                                                                                                         
A1IIT SMILES_CANONICAL CACTVS               3.385 "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)[C@H]1O[P](O)(O)=O)OC(=O)CCCCCCC"                                                                                                                                              
A1IIT SMILES           CACTVS               3.385 "CCCCCCCC(=O)OC[CH](CO[P](O)(=O)O[CH]1[CH](O)[CH](O[P](O)(O)=O)[CH](O)[CH](O)[CH]1O[P](O)(O)=O)OC(=O)CCCCCCC"                                                                                                                                                       
A1IIT SMILES_CANONICAL "OpenEye OEToolkits" 2.0.7 "CCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H]([C@H]1OP(=O)(O)O)O)O)OP(=O)(O)O)O)OC(=O)CCCCCCC"                                                                                                                                                    
A1IIT SMILES           "OpenEye OEToolkits" 2.0.7 "CCCCCCCC(=O)OCC(COP(=O)(O)OC1C(C(C(C(C1OP(=O)(O)O)O)O)OP(=O)(O)O)O)OC(=O)CCCCCCC"                                                                                                                                                                                  
# 
_pdbx_chem_comp_identifier.comp_id           A1IIT 
_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-octanoyloxy-3-[oxidanyl-[(1~{S},2~{R},3~{S},4~{R},5~{R},6~{R})-2,4,5-tris(oxidanyl)-3,6-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate" 
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
A1IIT "Create component" 2024-07-18 PDBE 
A1IIT "Modify synonyms"  2024-07-22 PDBE 
A1IIT "Initial release"  2025-07-30 RCSB 
# 
_pdbx_chem_comp_synonyms.ordinal      1 
_pdbx_chem_comp_synonyms.comp_id      A1IIT 
_pdbx_chem_comp_synonyms.name         "PI(2,5)P2" 
_pdbx_chem_comp_synonyms.provenance   AUTHOR 
_pdbx_chem_comp_synonyms.type         ? 
# 
