data_PIZ # _chem_comp.id PIZ _chem_comp.name ;(2S)-3-{[(R)-{[(1S,2S,3R,4S,5S,6S)-2,6-dihydroxy-3,4,5-tris(phosphonooxy)cyclohexyl]oxy}(hydroxy)phosphoryl]oxy}propane -1,2-diyl dihexadecanoate ; _chem_comp.type NON-POLYMER _chem_comp.pdbx_type HETAIN _chem_comp.formula "C41 H82 O22 P4" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms "PI(3,4,5)P3 dipalmitoyl (16:0, 16:0)" _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 2014-06-11 _chem_comp.pdbx_modified_date 2020-06-17 _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 1050.972 _chem_comp.one_letter_code ? _chem_comp.three_letter_code PIZ _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 4QJR _chem_comp.pdbx_subcomponent_list ? _chem_comp.pdbx_processing_site RCSB # # 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.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 PIZ CBG CBG C 0 1 N N N -17.982 37.066 -4.280 21.529 2.013 -5.013 CBG PIZ 1 PIZ CBF CBF C 0 1 N N N -18.567 36.644 -5.625 20.704 1.847 -3.735 CBF PIZ 2 PIZ CBE CBE C 0 1 N N N -18.733 37.834 -6.568 19.224 2.072 -4.052 CBE PIZ 3 PIZ CBD CBD C 0 1 N N N -20.153 38.420 -6.478 18.398 1.906 -2.774 CBD PIZ 4 PIZ CBC CBC C 0 1 N N N -20.992 38.036 -7.669 16.918 2.131 -3.091 CBC PIZ 5 PIZ CBB CBB C 0 1 N N N -22.303 38.807 -7.736 16.093 1.966 -1.813 CBB PIZ 6 PIZ CBA CBA C 0 1 N N N -23.473 37.983 -7.192 14.613 2.190 -2.130 CBA PIZ 7 PIZ CB9 CB9 C 0 1 N N N -24.551 37.728 -8.263 13.787 2.025 -0.852 CB9 PIZ 8 PIZ CB8 CB8 C 0 1 N N N -24.032 36.820 -9.408 12.307 2.249 -1.168 CB8 PIZ 9 PIZ CB7 CB7 C 0 1 N N N -25.075 36.656 -10.531 11.482 2.084 0.109 CB7 PIZ 10 PIZ CB6 CB6 C 0 1 N N N -24.459 36.936 -11.929 10.002 2.308 -0.207 CB6 PIZ 11 PIZ CB5 CB5 C 0 1 N N N -24.898 38.269 -12.509 9.176 2.143 1.070 CB5 PIZ 12 PIZ CB4 CB4 C 0 1 N N N -23.670 39.050 -13.047 7.696 2.367 0.754 CB4 PIZ 13 PIZ CB3 CB3 C 0 1 N N N -23.896 40.555 -13.179 6.871 2.202 2.031 CB3 PIZ 14 PIZ CB2 CB2 C 0 1 N N N -22.618 41.227 -13.724 5.391 2.426 1.715 CB2 PIZ 15 PIZ CB1 CB1 C 0 1 N N N -22.883 42.505 -14.564 4.578 2.264 2.973 CB1 PIZ 16 PIZ OB2 OB2 O 0 1 N N N -23.823 42.476 -15.350 5.126 1.996 4.016 OB2 PIZ 17 PIZ OB1 OB1 O 0 1 N N N -21.730 43.279 -14.914 3.245 2.416 2.935 OB1 PIZ 18 PIZ C7 C7 C 0 1 N N S -21.653 44.658 -14.403 2.526 2.245 4.185 C7 PIZ 19 PIZ C8 C8 C 0 1 N N N -23.054 45.304 -14.412 2.120 0.778 4.343 C8 PIZ 20 PIZ O13 O13 O 0 1 N N N -23.024 46.375 -13.474 1.187 0.429 3.319 O13 PIZ 21 PIZ P1 P1 P 0 1 N N N -23.838 46.215 -12.131 0.546 -1.041 3.181 P1 PIZ 22 PIZ O12 O12 O 0 1 N N N -24.261 44.772 -11.962 1.630 -2.046 3.097 O12 PIZ 23 PIZ O11 O11 O 0 1 N N N -22.992 46.654 -10.966 -0.373 -1.349 4.467 O11 PIZ 24 PIZ O1 O1 O 0 1 N N N -25.179 47.156 -12.228 -0.355 -1.111 1.849 O1 PIZ 25 PIZ C1 C1 C 0 1 N N N -24.982 48.602 -12.321 -0.975 -2.314 1.390 C1 PIZ 26 PIZ C2 C2 C 0 1 N N S -25.444 49.229 -11.028 -0.457 -2.654 -0.009 C2 PIZ 27 PIZ O2 O2 O 0 1 N N N -26.688 48.647 -10.679 -0.770 -1.586 -0.905 O2 PIZ 28 PIZ C3 C3 C 0 1 N N S -25.609 50.751 -11.110 -1.120 -3.942 -0.499 C3 PIZ 29 PIZ O3 O3 O 0 1 N N N -26.227 51.178 -9.899 -0.637 -4.260 -1.806 O3 PIZ 30 PIZ P3 P3 P 0 1 N N N -25.410 52.261 -9.041 0.135 -5.631 -2.146 P3 PIZ 31 PIZ O31 O31 O 0 1 N N N -26.289 52.801 -7.940 0.417 -5.710 -3.729 O31 PIZ 32 PIZ O32 O32 O 0 1 N N N -24.184 51.612 -8.458 1.534 -5.671 -1.349 O32 PIZ 33 PIZ O33 O33 O 0 1 N N N -24.975 53.393 -9.949 -0.700 -6.782 -1.735 O33 PIZ 34 PIZ C4 C4 C 0 1 N N N -26.414 51.240 -12.323 -2.637 -3.747 -0.551 C4 PIZ 35 PIZ O4 O4 O 0 1 N N N -26.209 52.657 -12.470 -3.257 -4.950 -1.009 O4 PIZ 36 PIZ P4 P4 P 0 1 N N N -27.480 53.576 -12.369 -4.158 -5.020 -2.341 P4 PIZ 37 PIZ O41 O41 O 0 1 N N N -28.029 53.523 -10.965 -4.583 -6.547 -2.622 O41 PIZ 38 PIZ O42 O42 O 0 1 N N N -27.099 55.000 -12.711 -5.480 -4.123 -2.143 O42 PIZ 39 PIZ O43 O43 O 0 1 N N N -28.527 53.089 -13.331 -3.380 -4.505 -3.490 O43 PIZ 40 PIZ C5 C5 C 0 1 N N R -26.017 50.580 -13.644 -3.155 -3.407 0.848 C5 PIZ 41 PIZ O5 O5 O 0 1 N N N -27.061 50.805 -14.602 -4.572 -3.225 0.800 O5 PIZ 42 PIZ P5 P5 P 0 1 N N N -26.651 51.487 -16.006 -5.601 -4.123 1.653 P5 PIZ 43 PIZ O51 O51 O 0 1 N N N -27.892 52.018 -16.684 -7.096 -3.558 1.457 O51 PIZ 44 PIZ O52 O52 O 0 1 N N N -25.687 52.628 -15.758 -5.532 -5.648 1.143 O52 PIZ 45 PIZ O53 O53 O 0 1 N N N -25.983 50.451 -16.892 -5.236 -4.065 3.086 O53 PIZ 46 PIZ C6 C6 C 0 1 N N S -25.765 49.075 -13.563 -2.491 -2.119 1.339 C6 PIZ 47 PIZ O6 O6 O 0 1 N N N -25.102 48.651 -14.712 -2.976 -1.802 2.646 O6 PIZ 48 PIZ C9 C9 C 0 1 N N N -20.647 45.421 -15.270 1.273 3.123 4.177 C9 PIZ 49 PIZ OA1 OA1 O 0 1 N N N -19.822 44.433 -15.930 0.363 2.659 3.145 OA1 PIZ 50 PIZ CA1 CA1 C 0 1 N N N -18.490 44.355 -15.483 -0.792 3.327 3.006 CA1 PIZ 51 PIZ OA2 OA2 O 0 1 N N N -18.081 45.119 -14.617 -1.036 4.268 3.723 OA2 PIZ 52 PIZ CA2 CA2 C 0 1 N N N -17.608 43.202 -15.977 -1.786 2.903 1.954 CA2 PIZ 53 PIZ CA3 CA3 C 0 1 N N N -18.353 41.841 -15.888 -3.007 3.823 2.007 CA3 PIZ 54 PIZ CA4 CA4 C 0 1 N N N -18.016 41.050 -14.551 -4.016 3.393 0.940 CA4 PIZ 55 PIZ CA5 CA5 C 0 1 N N N -19.031 39.947 -14.274 -5.237 4.313 0.992 CA5 PIZ 56 PIZ CA6 CA6 C 0 1 N N N -18.880 39.343 -12.864 -6.246 3.883 -0.075 CA6 PIZ 57 PIZ CA7 CA7 C 0 1 N N N -19.643 37.995 -12.724 -7.467 4.802 -0.023 CA7 PIZ 58 PIZ CA8 CA8 C 0 1 N N N -19.330 37.288 -11.391 -8.476 4.372 -1.089 CA8 PIZ 59 PIZ CA9 CA9 C 0 1 N N N -19.535 35.769 -11.485 -9.697 5.292 -1.037 CA9 PIZ 60 PIZ CAA CAA C 0 1 N N N -19.508 35.076 -10.094 -10.706 4.862 -2.104 CAA PIZ 61 PIZ CAB CAB C 0 1 N N N -20.286 33.756 -10.092 -11.927 5.782 -2.052 CAB PIZ 62 PIZ CAC CAC C 0 1 N N N -20.672 33.314 -8.644 -12.936 5.352 -3.119 CAC PIZ 63 PIZ CAD CAD C 0 1 N N N -21.603 34.383 -7.944 -14.157 6.271 -3.066 CAD PIZ 64 PIZ CAE CAE C 0 1 N N N -22.714 33.732 -7.133 -15.166 5.841 -4.134 CAE PIZ 65 PIZ CAF CAF C 0 1 N N N -23.045 34.511 -5.867 -16.388 6.761 -4.081 CAF PIZ 66 PIZ CAG CAG C 0 1 N N N -24.302 33.998 -5.210 -17.396 6.331 -5.148 CAG PIZ 67 PIZ H1 H1 H 0 1 N N N -17.878 36.184 -3.632 21.201 1.284 -5.754 H1 PIZ 68 PIZ H2 H2 H 0 1 N N N -16.994 37.523 -4.437 21.390 3.019 -5.407 H2 PIZ 69 PIZ H3 H3 H 0 1 N N N -18.652 37.796 -3.802 22.583 1.853 -4.787 H3 PIZ 70 PIZ H4 H4 H 0 1 N N N -19.551 36.183 -5.457 20.842 0.841 -3.341 H4 PIZ 71 PIZ H5 H5 H 0 1 N N N -17.893 35.910 -6.092 21.031 2.576 -2.994 H5 PIZ 72 PIZ H6 H6 H 0 1 N N N -18.546 37.503 -7.600 19.085 3.078 -4.446 H6 PIZ 73 PIZ H7 H7 H 0 1 N N N -18.005 38.613 -6.295 18.896 1.343 -4.793 H7 PIZ 74 PIZ H8 H8 H 0 1 N N N -20.083 39.517 -6.430 18.537 0.900 -2.380 H8 PIZ 75 PIZ H9 H9 H 0 1 N N N -20.637 38.043 -5.565 18.726 2.635 -2.033 H9 PIZ 76 PIZ H10 H10 H 0 1 N N N -21.218 36.961 -7.608 16.779 3.137 -3.485 H10 PIZ 77 PIZ H11 H11 H 0 1 N N N -20.417 38.239 -8.585 16.590 1.402 -3.832 H11 PIZ 78 PIZ H12 H12 H 0 1 N N N -22.207 39.726 -7.140 16.231 0.959 -1.419 H12 PIZ 79 PIZ H13 H13 H 0 1 N N N -22.509 39.070 -8.784 16.420 2.695 -1.072 H13 PIZ 80 PIZ H14 H14 H 0 1 N N N -23.930 38.527 -6.352 14.474 3.197 -2.524 H14 PIZ 81 PIZ H15 H15 H 0 1 N N N -23.090 37.015 -6.837 14.285 1.461 -2.871 H15 PIZ 82 PIZ H16 H16 H 0 1 N N N -24.863 38.693 -8.689 13.926 1.018 -0.458 H16 PIZ 83 PIZ H17 H17 H 0 1 N N N -25.415 37.241 -7.788 14.115 2.754 -0.111 H17 PIZ 84 PIZ H18 H18 H 0 1 N N N -23.795 35.828 -8.995 12.168 3.256 -1.563 H18 PIZ 85 PIZ H19 H19 H 0 1 N N N -23.121 37.268 -9.832 11.979 1.520 -1.910 H19 PIZ 86 PIZ H20 H20 H 0 1 N N N -25.901 37.362 -10.357 11.620 1.077 0.504 H20 PIZ 87 PIZ H21 H21 H 0 1 N N N -25.462 35.627 -10.511 11.809 2.813 0.850 H21 PIZ 88 PIZ H22 H22 H 0 1 N N N -24.768 36.135 -12.616 9.863 3.315 -0.602 H22 PIZ 89 PIZ H23 H23 H 0 1 N N N -23.363 36.937 -11.836 9.674 1.579 -0.948 H23 PIZ 90 PIZ H24 H24 H 0 1 N N N -25.390 38.862 -11.724 9.315 1.136 1.465 H24 PIZ 91 PIZ H25 H25 H 0 1 N N N -25.605 38.092 -13.333 9.504 2.872 1.811 H25 PIZ 92 PIZ H26 H26 H 0 1 N N N -23.415 38.651 -14.040 7.558 3.374 0.359 H26 PIZ 93 PIZ H27 H27 H 0 1 N N N -22.828 38.886 -12.358 7.369 1.638 0.013 H27 PIZ 94 PIZ H28 H28 H 0 1 N N N -24.138 40.976 -12.192 7.010 1.195 2.426 H28 PIZ 95 PIZ H29 H29 H 0 1 N N N -24.730 40.740 -13.872 7.199 2.931 2.773 H29 PIZ 96 PIZ H30 H30 H 0 1 N N N -22.089 40.500 -14.358 5.252 3.433 1.320 H30 PIZ 97 PIZ H31 H31 H 0 1 N N N -21.981 41.501 -12.870 5.063 1.697 0.974 H31 PIZ 98 PIZ H32 H32 H 0 1 N N N -21.283 44.643 -13.367 3.168 2.536 5.017 H32 PIZ 99 PIZ H33 H33 H 0 1 N N N -23.287 45.688 -15.416 3.004 0.146 4.260 H33 PIZ 100 PIZ H34 H34 H 0 1 N N N -23.813 44.564 -14.117 1.660 0.632 5.320 H34 PIZ 101 PIZ H35 H35 H 0 1 N N N -22.894 45.932 -10.356 -1.105 -0.729 4.585 H35 PIZ 102 PIZ H36 H36 H 0 1 N N N -23.915 48.824 -12.470 -0.736 -3.129 2.074 H36 PIZ 103 PIZ H37 H37 H 0 1 N N N -24.700 49.007 -10.249 0.624 -2.793 0.028 H37 PIZ 104 PIZ H38 H38 H 0 1 N N N -26.999 49.027 -9.866 -0.381 -0.737 -0.655 H38 PIZ 105 PIZ H39 H39 H 0 1 N N N -24.604 51.193 -11.176 -0.882 -4.757 0.184 H39 PIZ 106 PIZ H40 H40 H 0 1 N N N -26.387 53.740 -8.045 0.880 -6.512 -4.006 H40 PIZ 107 PIZ H41 H41 H 0 1 N N N -23.407 52.051 -8.784 2.133 -4.945 -1.569 H41 PIZ 108 PIZ H42 H42 H 0 1 N N N -27.479 51.037 -12.138 -2.876 -2.932 -1.234 H42 PIZ 109 PIZ H43 H43 H 0 1 N N N -28.920 53.193 -10.985 -5.129 -6.665 -3.412 H43 PIZ 110 PIZ H44 H44 H 0 1 N N N -27.601 55.291 -13.463 -6.039 -4.404 -1.406 H44 PIZ 111 PIZ H45 H45 H 0 1 N N N -25.093 51.060 -13.998 -2.917 -4.222 1.532 H45 PIZ 112 PIZ H46 H46 H 0 1 N N N -27.999 51.593 -17.527 -7.770 -4.052 1.943 H46 PIZ 113 PIZ H47 H47 H 0 1 N N N -24.869 52.455 -16.208 -5.760 -5.762 0.210 H47 PIZ 114 PIZ H48 H48 H 0 1 N N N -26.750 48.586 -13.524 -2.730 -1.304 0.655 H48 PIZ 115 PIZ H49 H49 H 0 1 N N N -25.353 49.201 -15.444 -2.596 -0.995 3.020 H49 PIZ 116 PIZ H50 H50 H 0 1 N N N -20.024 46.073 -14.640 0.781 3.062 5.148 H50 PIZ 117 PIZ H51 H51 H 0 1 N N N -21.177 46.030 -16.017 1.554 4.156 3.976 H51 PIZ 118 PIZ H52 H52 H 0 1 N N N -16.700 43.155 -15.357 -1.323 2.969 0.970 H52 PIZ 119 PIZ H53 H53 H 0 1 N N N -17.328 43.389 -17.024 -2.097 1.875 2.142 H53 PIZ 120 PIZ H54 H54 H 0 1 N N N -19.436 42.029 -15.924 -3.470 3.757 2.992 H54 PIZ 121 PIZ H55 H55 H 0 1 N N N -18.060 41.221 -16.748 -2.696 4.851 1.819 H55 PIZ 122 PIZ H56 H56 H 0 1 N N N -17.017 40.599 -14.646 -3.553 3.459 -0.045 H56 PIZ 123 PIZ H57 H57 H 0 1 N N N -18.020 41.757 -13.708 -4.327 2.365 1.127 H57 PIZ 124 PIZ H58 H58 H 0 1 N N N -20.043 40.367 -14.371 -5.700 4.247 1.977 H58 PIZ 125 PIZ H59 H59 H 0 1 N N N -18.893 39.147 -15.016 -4.926 5.341 0.805 H59 PIZ 126 PIZ H60 H60 H 0 1 N N N -17.812 39.169 -12.664 -5.783 3.948 -1.060 H60 PIZ 127 PIZ H61 H61 H 0 1 N N N -19.280 40.056 -12.128 -6.557 2.855 0.112 H61 PIZ 128 PIZ H62 H62 H 0 1 N N N -20.724 38.192 -12.776 -7.930 4.737 0.962 H62 PIZ 129 PIZ H63 H63 H 0 1 N N N -19.351 37.334 -13.553 -7.156 5.830 -0.210 H63 PIZ 130 PIZ H64 H64 H 0 1 N N N -18.283 37.489 -11.119 -8.013 4.438 -2.074 H64 PIZ 131 PIZ H65 H65 H 0 1 N N N -19.995 37.689 -10.612 -8.787 3.345 -0.902 H65 PIZ 132 PIZ H66 H66 H 0 1 N N N -20.509 35.573 -11.957 -10.160 5.226 -0.052 H66 PIZ 133 PIZ H67 H67 H 0 1 N N N -18.734 35.343 -12.107 -9.386 6.320 -1.224 H67 PIZ 134 PIZ H68 H68 H 0 1 N N N -18.462 34.872 -9.820 -10.243 4.928 -3.089 H68 PIZ 135 PIZ H69 H69 H 0 1 N N N -19.956 35.753 -9.352 -11.017 3.834 -1.917 H69 PIZ 136 PIZ H70 H70 H 0 1 N N N -21.205 33.883 -10.683 -12.390 5.716 -1.067 H70 PIZ 137 PIZ H71 H71 H 0 1 N N N -19.662 32.974 -10.549 -11.616 6.810 -2.239 H71 PIZ 138 PIZ H72 H72 H 0 1 N N N -21.205 32.353 -8.693 -12.473 5.418 -4.104 H72 PIZ 139 PIZ H73 H73 H 0 1 N N N -19.754 33.195 -8.050 -13.247 4.324 -2.931 H73 PIZ 140 PIZ H74 H74 H 0 1 N N N -20.990 35.002 -7.272 -14.620 6.206 -2.082 H74 PIZ 141 PIZ H75 H75 H 0 1 N N N -22.056 35.020 -8.718 -13.847 7.299 -3.254 H75 PIZ 142 PIZ H76 H76 H 0 1 N N N -23.618 33.672 -7.757 -14.703 5.907 -5.118 H76 PIZ 143 PIZ H77 H77 H 0 1 N N N -22.396 32.718 -6.850 -15.477 4.813 -3.946 H77 PIZ 144 PIZ H78 H78 H 0 1 N N N -22.208 34.414 -5.160 -16.850 6.695 -3.096 H78 PIZ 145 PIZ H79 H79 H 0 1 N N N -23.185 35.571 -6.127 -16.077 7.789 -4.268 H79 PIZ 146 PIZ H80 H80 H 0 1 N N N -24.507 34.584 -4.302 -16.934 6.397 -6.133 H80 PIZ 147 PIZ H81 H81 H 0 1 N N N -25.147 34.096 -5.908 -17.707 5.303 -4.961 H81 PIZ 148 PIZ H82 H82 H 0 1 N N N -24.169 32.940 -4.941 -18.266 6.986 -5.111 H82 PIZ 149 # # 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 PIZ O53 P5 DOUB N N 1 PIZ O51 P5 SING N N 2 PIZ P5 O52 SING N N 3 PIZ P5 O5 SING N N 4 PIZ CA2 CA3 SING N N 5 PIZ CA2 CA1 SING N N 6 PIZ OA1 CA1 SING N N 7 PIZ OA1 C9 SING N N 8 PIZ CA3 CA4 SING N N 9 PIZ CA1 OA2 DOUB N N 10 PIZ OB2 CB1 DOUB N N 11 PIZ C9 C7 SING N N 12 PIZ OB1 CB1 SING N N 13 PIZ OB1 C7 SING N N 14 PIZ O6 C6 SING N N 15 PIZ O5 C5 SING N N 16 PIZ CB1 CB2 SING N N 17 PIZ CA4 CA5 SING N N 18 PIZ C8 C7 SING N N 19 PIZ C8 O13 SING N N 20 PIZ CA5 CA6 SING N N 21 PIZ CB2 CB3 SING N N 22 PIZ C5 C6 SING N N 23 PIZ C5 C4 SING N N 24 PIZ C6 C1 SING N N 25 PIZ O13 P1 SING N N 26 PIZ O43 P4 DOUB N N 27 PIZ CB3 CB4 SING N N 28 PIZ CB4 CB5 SING N N 29 PIZ CA6 CA7 SING N N 30 PIZ CA7 CA8 SING N N 31 PIZ O42 P4 SING N N 32 PIZ CB5 CB6 SING N N 33 PIZ O4 P4 SING N N 34 PIZ O4 C4 SING N N 35 PIZ P4 O41 SING N N 36 PIZ C4 C3 SING N N 37 PIZ C1 O1 SING N N 38 PIZ C1 C2 SING N N 39 PIZ O1 P1 SING N N 40 PIZ P1 O12 DOUB N N 41 PIZ P1 O11 SING N N 42 PIZ CB6 CB7 SING N N 43 PIZ CA9 CA8 SING N N 44 PIZ CA9 CAA SING N N 45 PIZ C3 C2 SING N N 46 PIZ C3 O3 SING N N 47 PIZ C2 O2 SING N N 48 PIZ CB7 CB8 SING N N 49 PIZ CAA CAB SING N N 50 PIZ CAB CAC SING N N 51 PIZ O33 P3 DOUB N N 52 PIZ O3 P3 SING N N 53 PIZ CB8 CB9 SING N N 54 PIZ P3 O32 SING N N 55 PIZ P3 O31 SING N N 56 PIZ CAC CAD SING N N 57 PIZ CB9 CBA SING N N 58 PIZ CAD CAE SING N N 59 PIZ CBB CBC SING N N 60 PIZ CBB CBA SING N N 61 PIZ CBC CBD SING N N 62 PIZ CAE CAF SING N N 63 PIZ CBE CBD SING N N 64 PIZ CBE CBF SING N N 65 PIZ CAF CAG SING N N 66 PIZ CBF CBG SING N N 67 PIZ CBG H1 SING N N 68 PIZ CBG H2 SING N N 69 PIZ CBG H3 SING N N 70 PIZ CBF H4 SING N N 71 PIZ CBF H5 SING N N 72 PIZ CBE H6 SING N N 73 PIZ CBE H7 SING N N 74 PIZ CBD H8 SING N N 75 PIZ CBD H9 SING N N 76 PIZ CBC H10 SING N N 77 PIZ CBC H11 SING N N 78 PIZ CBB H12 SING N N 79 PIZ CBB H13 SING N N 80 PIZ CBA H14 SING N N 81 PIZ CBA H15 SING N N 82 PIZ CB9 H16 SING N N 83 PIZ CB9 H17 SING N N 84 PIZ CB8 H18 SING N N 85 PIZ CB8 H19 SING N N 86 PIZ CB7 H20 SING N N 87 PIZ CB7 H21 SING N N 88 PIZ CB6 H22 SING N N 89 PIZ CB6 H23 SING N N 90 PIZ CB5 H24 SING N N 91 PIZ CB5 H25 SING N N 92 PIZ CB4 H26 SING N N 93 PIZ CB4 H27 SING N N 94 PIZ CB3 H28 SING N N 95 PIZ CB3 H29 SING N N 96 PIZ CB2 H30 SING N N 97 PIZ CB2 H31 SING N N 98 PIZ C7 H32 SING N N 99 PIZ C8 H33 SING N N 100 PIZ C8 H34 SING N N 101 PIZ O11 H35 SING N N 102 PIZ C1 H36 SING N N 103 PIZ C2 H37 SING N N 104 PIZ O2 H38 SING N N 105 PIZ C3 H39 SING N N 106 PIZ O31 H40 SING N N 107 PIZ O32 H41 SING N N 108 PIZ C4 H42 SING N N 109 PIZ O41 H43 SING N N 110 PIZ O42 H44 SING N N 111 PIZ C5 H45 SING N N 112 PIZ O51 H46 SING N N 113 PIZ O52 H47 SING N N 114 PIZ C6 H48 SING N N 115 PIZ O6 H49 SING N N 116 PIZ C9 H50 SING N N 117 PIZ C9 H51 SING N N 118 PIZ CA2 H52 SING N N 119 PIZ CA2 H53 SING N N 120 PIZ CA3 H54 SING N N 121 PIZ CA3 H55 SING N N 122 PIZ CA4 H56 SING N N 123 PIZ CA4 H57 SING N N 124 PIZ CA5 H58 SING N N 125 PIZ CA5 H59 SING N N 126 PIZ CA6 H60 SING N N 127 PIZ CA6 H61 SING N N 128 PIZ CA7 H62 SING N N 129 PIZ CA7 H63 SING N N 130 PIZ CA8 H64 SING N N 131 PIZ CA8 H65 SING N N 132 PIZ CA9 H66 SING N N 133 PIZ CA9 H67 SING N N 134 PIZ CAA H68 SING N N 135 PIZ CAA H69 SING N N 136 PIZ CAB H70 SING N N 137 PIZ CAB H71 SING N N 138 PIZ CAC H72 SING N N 139 PIZ CAC H73 SING N N 140 PIZ CAD H74 SING N N 141 PIZ CAD H75 SING N N 142 PIZ CAE H76 SING N N 143 PIZ CAE H77 SING N N 144 PIZ CAF H78 SING N N 145 PIZ CAF H79 SING N N 146 PIZ CAG H80 SING N N 147 PIZ CAG H81 SING N N 148 PIZ CAG H82 SING N N 149 # # 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 PIZ SMILES ACDLabs 12.01 "O=C(OCC(OC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OC1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1O)CCCCCCCCCCCCCCC" PIZ InChI InChI 1.03 "InChI=1S/C41H82O22P4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(42)57-31-33(59-35(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)32-58-67(55,56)63-38-36(44)39(60-64(46,47)48)41(62-66(52,53)54)40(37(38)45)61-65(49,50)51/h33,36-41,44-45H,3-32H2,1-2H3,(H,55,56)(H2,46,47,48)(H2,49,50,51)(H2,52,53,54)/t33-,36-,37-,38-,39+,40-,41-/m0/s1" PIZ InChIKey InChI 1.03 ZSZXYWFCIKKZBT-XMZWCAJNSA-N PIZ SMILES_CANONICAL CACTVS 3.385 "CCCCCCCCCCCCCCCC(=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[P](O)(O)=O)[C@H](O[P](O)(O)=O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCC" PIZ SMILES CACTVS 3.385 "CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)O[CH]1[CH](O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]1O)OC(=O)CCCCCCCCCCCCCCC" PIZ SMILES_CANONICAL "OpenEye OEToolkits" 1.7.6 "CCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O)OC(=O)CCCCCCCCCCCCCCC" PIZ SMILES "OpenEye OEToolkits" 1.7.6 "CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OC1C(C(C(C(C1O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O)OC(=O)CCCCCCCCCCCCCCC" # # 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 PIZ "SYSTEMATIC NAME" ACDLabs 12.01 "(2S)-3-{[(R)-{[(1S,2S,3R,4S,5S,6S)-2,6-dihydroxy-3,4,5-tris(phosphonooxy)cyclohexyl]oxy}(hydroxy)phosphoryl]oxy}propane-1,2-diyl dihexadecanoate" PIZ "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.7.6 "[(2S)-3-[[(2S,3R,5S,6S)-2,6-bis(oxidanyl)-3,4,5-triphosphonooxy-cyclohexyl]oxy-oxidanyl-phosphoryl]oxy-2-hexadecanoyloxy-propyl] hexadecanoate" # # loop_ _pdbx_chem_comp_audit.comp_id _pdbx_chem_comp_audit.action_type _pdbx_chem_comp_audit.date _pdbx_chem_comp_audit.processing_site PIZ "Create component" 2014-06-11 RCSB PIZ "Initial release" 2014-07-30 RCSB PIZ "Modify synonyms" 2020-06-05 PDBE # _pdbx_chem_comp_synonyms.ordinal 1 _pdbx_chem_comp_synonyms.comp_id PIZ _pdbx_chem_comp_synonyms.name "PI(3,4,5)P3 dipalmitoyl (16:0, 16:0)" _pdbx_chem_comp_synonyms.provenance ? _pdbx_chem_comp_synonyms.type ? ##