data_L3P # _chem_comp.id L3P _chem_comp.name "2,3-DI-O-PHYTANLY-3-SN-GLYCERO-1-PHOSPHORYL-3'-SN-GLYCEROL-1'-PHOSPHATE" _chem_comp.type NON-POLYMER _chem_comp.pdbx_type HETAIN _chem_comp.formula "C46 H94 O11 P2" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms ? _chem_comp.pdbx_formal_charge -2 _chem_comp.pdbx_initial_date 1999-09-22 _chem_comp.pdbx_modified_date 2011-06-04 _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 885.179 _chem_comp.one_letter_code ? _chem_comp.three_letter_code L3P _chem_comp.pdbx_model_coordinates_details ? _chem_comp.pdbx_model_coordinates_missing_flag Y _chem_comp.pdbx_ideal_coordinates_details ? _chem_comp.pdbx_ideal_coordinates_missing_flag N _chem_comp.pdbx_model_coordinates_db_code 1DZE _chem_comp.pdbx_subcomponent_list ? _chem_comp.pdbx_processing_site EBI # 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 L3P C1 C1 C 0 1 N N N 28.620 39.309 13.692 -8.509 18.670 5.393 C1 L3P 1 L3P C2 C2 C 0 1 N N S 28.504 39.913 12.279 -7.015 18.825 5.644 C2 L3P 2 L3P C3 C3 C 0 1 N N N 28.857 38.872 11.180 -6.645 20.276 5.929 C3 L3P 3 L3P C4 C4 C 0 1 N N N 29.633 35.348 8.482 -8.857 22.945 6.368 C4 L3P 4 L3P C5 C5 C 0 1 N N R 30.995 35.573 7.819 -9.330 23.347 7.761 C5 L3P 5 L3P C6 C6 C 0 1 N N N 31.928 34.370 7.978 -8.711 22.463 8.835 C6 L3P 6 L3P O1 O1 O 0 1 N N N 28.610 40.356 14.687 -8.790 17.307 5.107 O1 L3P 7 L3P O2 O2 O 0 1 N N N 27.194 40.474 12.073 -6.674 18.032 6.784 O2 L3P 8 L3P O3 O3 O 0 1 N N N 27.903 37.793 11.135 -6.993 21.091 4.815 O3 L3P 9 L3P O4 O4 O 0 1 N N N 29.354 36.475 9.334 -7.447 23.071 6.284 O4 L3P 10 L3P O5 O5 O 0 1 N N N 30.843 35.902 6.437 -8.926 24.695 8.011 O5 L3P 11 L3P O6 O6 O 0 1 N N N 31.258 33.106 7.956 -9.112 21.115 8.612 O6 L3P 12 L3P O1P O1P O 0 1 N N N 27.063 37.403 8.784 -7.426 23.358 3.733 O1P L3P 13 L3P O2P O2P O -1 1 N N N 27.221 35.499 10.288 -5.207 22.918 5.067 O2P L3P 14 L3P O4P O4P O 0 1 N N N 33.147 31.889 6.834 -8.761 20.398 11.061 O4P L3P 15 L3P O5P O5P O -1 1 N N N 33.009 31.851 9.239 -9.156 18.626 9.162 O5P L3P 16 L3P O6P O6P O 0 1 N N N 31.440 30.568 7.925 -6.993 19.970 9.266 O6P L3P 17 L3P P1 P1 P 0 1 N N N 27.856 36.775 9.869 -6.693 22.696 4.881 P1 L3P 18 L3P P2 P2 P 0 1 N N N 32.222 31.819 7.988 -8.587 19.949 9.626 P2 L3P 19 L3P C11 C11 C 0 1 N N N 28.942 40.045 16.057 -10.178 17.096 4.883 C11 L3P 20 L3P C12 C12 C 0 1 N N N 28.750 41.282 16.957 -10.407 15.619 4.583 C12 L3P 21 L3P C13 C13 C 0 1 N N R 29.483 41.096 18.305 -11.885 15.264 4.345 C13 L3P 22 L3P C14 C14 C 0 1 N N N 28.893 39.899 19.057 -12.762 15.618 5.549 C14 L3P 23 L3P C15 C15 C 0 1 N N N 29.287 42.360 19.153 -12.059 13.785 3.935 C15 L3P 24 L3P C16 C16 C 0 1 N N N 30.094 42.273 20.454 -11.641 12.757 4.995 C16 L3P 25 L3P C17 C17 C 0 1 N N N 30.124 43.663 21.099 -11.802 11.326 4.465 C17 L3P 26 L3P C18 C18 C 0 1 N N R 31.288 43.761 22.088 -11.466 10.237 5.505 C18 L3P 27 L3P C19 C19 C 0 1 N N N 30.745 43.616 23.515 -9.998 10.303 5.945 C19 L3P 28 L3P C20 C20 C 0 1 N N N 31.964 45.130 21.925 -11.758 8.820 4.963 C20 L3P 29 L3P C21 C21 C 0 1 N N N 32.775 45.473 23.179 -13.167 8.585 4.405 C21 L3P 30 L3P C22 C22 C 0 1 N N N ? ? ? -14.314 8.722 5.413 C22 L3P 31 L3P C23 C23 C 0 1 N N R ? ? ? -15.735 8.556 4.837 C23 L3P 32 L3P C24 C24 C 0 1 N N N ? ? ? -16.769 8.792 5.943 C24 L3P 33 L3P C25 C25 C 0 1 N N N ? ? ? -15.973 7.211 4.119 C25 L3P 34 L3P C26 C26 C 0 1 N N N ? ? ? -14.954 6.861 3.028 C26 L3P 35 L3P C27 C27 C 0 1 N N N ? ? ? -15.255 5.487 2.418 C27 L3P 36 L3P C28 C28 C 0 1 N N N ? ? ? -14.280 5.086 1.296 C28 L3P 37 L3P C29 C29 C 0 1 N N N ? ? ? -14.328 6.124 0.172 C29 L3P 38 L3P C30 C30 C 0 1 N N N ? ? ? -12.842 4.935 1.796 C30 L3P 39 L3P C41 C41 C 0 1 N N N 26.019 39.646 12.065 -5.286 18.107 7.066 C41 L3P 40 L3P C42 C42 C 0 1 N N N 25.425 39.554 13.477 -4.988 17.245 8.287 C42 L3P 41 L3P C43 C43 C 0 1 N N R 24.578 38.280 13.594 -3.499 17.228 8.676 C43 L3P 42 L3P C44 C44 C 0 1 N N N 23.487 38.288 12.520 -2.614 16.716 7.537 C44 L3P 43 L3P C45 C45 C 0 1 N N N 23.916 38.242 14.969 -3.258 16.436 9.980 C45 L3P 44 L3P C46 C46 C 0 1 N N N 24.767 37.392 15.908 -3.595 14.941 9.911 C46 L3P 45 L3P C47 C47 C 0 1 N N N 24.449 37.778 17.351 -3.372 14.265 11.270 C47 L3P 46 L3P C48 C48 C 0 1 N N R 25.665 37.487 18.226 -3.625 12.743 11.256 C48 L3P 47 L3P C49 C49 C 0 1 N N N 25.440 36.175 18.964 -5.083 12.411 10.915 C49 L3P 48 L3P C50 C50 C 0 1 N N N 25.835 38.614 19.244 -3.272 12.093 12.613 C50 L3P 49 L3P C51 C51 C 0 1 N N N ? ? ? -3.328 10.561 12.664 C51 L3P 50 L3P C52 C52 C 0 1 N N N ? ? ? -2.901 9.923 13.991 C52 L3P 51 L3P C53 C53 C 0 1 N N R ? ? ? -3.025 8.388 14.065 C53 L3P 52 L3P C54 C54 C 0 1 N N N ? ? ? -2.094 7.746 13.030 C54 L3P 53 L3P C55 C55 C 0 1 N N N ? ? ? -4.469 7.862 13.927 C55 L3P 54 L3P C56 C56 C 0 1 N N N ? ? ? -5.489 8.487 14.886 C56 L3P 55 L3P C57 C57 C 0 1 N N N ? ? ? -6.895 7.932 14.629 C57 L3P 56 L3P C58 C58 C 0 1 N N N ? ? ? -7.964 8.502 15.580 C58 L3P 57 L3P C59 C59 C 0 1 N N N ? ? ? -7.588 8.187 17.030 C59 L3P 58 L3P C60 C60 C 0 1 N N N ? ? ? -8.151 10.010 15.412 C60 L3P 59 L3P H12 2H1 H 0 1 N N N 27.769 38.635 13.868 -8.831 19.267 4.534 H12 L3P 60 L3P H11 1H1 H 0 1 N N N 29.566 38.752 13.767 -9.089 18.957 6.276 H11 L3P 61 L3P H2 H2 H 0 1 N N N 29.240 40.727 12.198 -6.439 18.427 4.800 H2 L3P 62 L3P H32 2H3 H 0 1 N N N 28.862 39.379 10.204 -5.571 20.390 6.110 H32 L3P 63 L3P H31 1H3 H 0 1 N N N 29.844 38.447 11.416 -7.192 20.659 6.796 H31 L3P 64 L3P H42 2H4 H 0 1 N N N 28.852 35.259 7.712 -9.300 23.579 5.594 H42 L3P 65 L3P H41 1H4 H 0 1 N N N 29.648 34.421 9.073 -9.103 21.901 6.154 H41 L3P 66 L3P H5 H5 H 0 1 N N N 31.462 36.422 8.339 -10.423 23.328 7.828 H5 L3P 67 L3P H62 2H6 H 0 1 N N N 32.648 34.387 7.147 -9.053 22.754 9.834 H62 L3P 68 L3P H61 1H6 H 0 1 N N N 32.405 34.463 8.965 -7.618 22.502 8.797 H61 L3P 69 L3P H5O H5O H 0 1 N N N 30.809 36.846 6.338 -9.739 25.217 8.064 H5O L3P 70 L3P HOP6 6HOP H 0 0 N N N 31.272 30.344 7.017 -6.431 20.668 9.664 HOP6 L3P 71 L3P H112 2H11 H 0 0 N N N 28.285 39.237 16.412 -10.718 17.410 5.781 H112 L3P 72 L3P H111 1H11 H 0 0 N N N 29.995 39.732 16.105 -10.491 17.719 4.039 H111 L3P 73 L3P H122 2H12 H 0 0 N N N 29.158 42.166 16.445 -9.816 15.349 3.698 H122 L3P 74 L3P H121 1H12 H 0 0 N N N 27.676 41.414 17.153 -9.991 15.025 5.406 H121 L3P 75 L3P H13 H13 H 0 1 N N N 30.553 40.920 18.119 -12.242 15.862 3.496 H13 L3P 76 L3P H143 3H14 H 0 0 N N N 28.752 39.060 18.359 -13.788 15.266 5.402 H143 L3P 77 L3P H142 2H14 H 0 0 N N N 29.581 39.596 19.860 -12.377 15.176 6.474 H142 L3P 78 L3P H141 1H14 H 0 0 N N N 27.923 40.181 19.492 -12.810 16.702 5.694 H141 L3P 79 L3P H152 2H15 H 0 0 N N N 29.627 43.234 18.578 -13.112 13.618 3.672 H152 L3P 80 L3P H151 1H15 H 0 0 N N N 28.220 42.455 19.404 -11.484 13.605 3.018 H151 L3P 81 L3P H162 2H16 H 0 0 N N N 29.621 41.554 21.139 -12.252 12.876 5.896 H162 L3P 82 L3P H161 1H16 H 0 0 N N N 31.118 41.934 20.241 -10.597 12.929 5.274 H161 L3P 83 L3P H172 2H17 H 0 0 N N N 30.250 44.424 20.315 -11.172 11.195 3.576 H172 L3P 84 L3P H171 1H17 H 0 0 N N N 29.180 43.830 21.638 -12.841 11.203 4.136 H171 L3P 85 L3P H18 H18 H 0 1 N N N 32.021 42.964 21.894 -12.080 10.406 6.398 H18 L3P 86 L3P H193 3H19 H 0 0 N N N 31.584 43.581 24.225 -9.323 10.235 5.085 H193 L3P 87 L3P H192 2H19 H 0 0 N N N 30.100 44.476 23.751 -9.783 11.234 6.478 H192 L3P 88 L3P H191 1H19 H 0 0 N N N 30.161 42.687 23.592 -9.759 9.482 6.629 H191 L3P 89 L3P H202 2H20 H 0 0 N N N 32.637 45.100 21.055 -11.570 8.087 5.757 H202 L3P 90 L3P H201 1H20 H 0 0 N N N 31.190 45.897 21.777 -11.037 8.586 4.167 H201 L3P 91 L3P H212 2H21 H 0 0 N N N 33.774 45.754 23.543 -13.350 9.278 3.575 H212 L3P 92 L3P H211 1H21 H 0 0 N N N 32.931 46.166 24.019 -13.197 7.586 3.954 H211 L3P 93 L3P H222 2H22 H 0 0 N N N ? ? ? -14.169 7.990 6.217 H222 L3P 94 L3P H221 1H22 H 0 0 N N N ? ? ? -14.227 9.703 5.898 H221 L3P 95 L3P H23 H23 H 0 1 N N N ? ? ? -15.895 9.346 4.092 H23 L3P 96 L3P H243 3H24 H 0 0 N N N ? ? ? -17.780 8.817 5.523 H243 L3P 97 L3P H242 2H24 H 0 0 N N N ? ? ? -16.745 8.000 6.699 H242 L3P 98 L3P H241 1H24 H 0 0 N N N ? ? ? -16.594 9.749 6.445 H241 L3P 99 L3P H252 2H25 H 0 0 N N N ? ? ? -16.977 7.228 3.673 H252 L3P 100 L3P H251 1H25 H 0 0 N N N ? ? ? -15.994 6.405 4.862 H251 L3P 101 L3P H262 2H26 H 0 0 N N N ? ? ? -14.980 7.624 2.244 H262 L3P 102 L3P H261 1H26 H 0 0 N N N ? ? ? -13.942 6.851 3.447 H261 L3P 103 L3P H272 2H27 H 0 0 N N N ? ? ? -15.206 4.731 3.213 H272 L3P 104 L3P H271 1H27 H 0 0 N N N ? ? ? -16.284 5.475 2.037 H271 L3P 105 L3P H28 H28 H 0 1 N N N ? ? ? -14.601 4.124 0.877 H28 L3P 106 L3P H293 3H29 H 0 0 N N N ? ? ? -13.670 5.836 -0.654 H293 L3P 107 L3P H292 2H29 H 0 0 N N N ? ? ? -15.343 6.218 -0.229 H292 L3P 108 L3P H291 1H29 H 0 0 N N N ? ? ? -14.012 7.111 0.528 H291 L3P 109 L3P H303 3H30 H 0 0 N N N ? ? ? -12.163 4.720 0.964 H303 L3P 110 L3P H302 2H30 H 0 0 N N N ? ? ? -12.495 5.849 2.288 H302 L3P 111 L3P H301 1H30 H 0 0 N N N ? ? ? -12.753 4.108 2.507 H301 L3P 112 L3P H412 2H41 H 0 0 N N N 25.272 40.083 11.386 -4.742 17.756 6.185 H412 L3P 113 L3P H411 1H41 H 0 0 N N N 26.293 38.637 11.724 -5.027 19.154 7.254 H411 L3P 114 L3P H422 2H42 H 0 0 N N N 26.239 39.522 14.216 -5.585 17.617 9.130 H422 L3P 115 L3P H421 1H42 H 0 0 N N N 24.792 40.434 13.666 -5.351 16.227 8.095 H421 L3P 116 L3P H43 H43 H 0 1 N N N 25.224 37.399 13.460 -3.195 18.263 8.885 H43 L3P 117 L3P H443 3H44 H 0 0 N N N 22.498 38.290 13.001 -1.574 16.615 7.866 H443 L3P 118 L3P H442 2H44 H 0 0 N N N 23.593 39.188 11.897 -2.951 15.743 7.168 H442 L3P 119 L3P H441 1H44 H 0 0 N N N 23.586 37.392 11.890 -2.619 17.413 6.693 H441 L3P 120 L3P H452 2H45 H 0 0 N N N 23.834 39.264 15.368 -2.204 16.551 10.267 H452 L3P 121 L3P H451 1H45 H 0 0 N N N 22.909 37.807 14.884 -3.845 16.897 10.784 H451 L3P 122 L3P H462 2H46 H 0 0 N N N 24.540 36.327 15.751 -2.970 14.449 9.159 H462 L3P 123 L3P H461 1H46 H 0 0 N N N 25.834 37.565 15.703 -4.639 14.819 9.608 H461 L3P 124 L3P H472 2H47 H 0 0 N N N 24.207 38.850 17.401 -4.016 14.740 12.021 H472 L3P 125 L3P H471 1H47 H 0 0 N N N 23.587 37.195 17.709 -2.337 14.457 11.576 H471 L3P 126 L3P H48 H48 H 0 1 N N N 26.567 37.415 17.601 -2.999 12.293 10.476 H48 L3P 127 L3P H493 3H49 H 0 0 N N N 25.386 35.350 18.238 -5.774 12.909 11.603 H493 L3P 128 L3P H492 2H49 H 0 0 N N N 26.274 35.998 19.659 -5.334 12.716 9.895 H492 L3P 129 L3P H491 1H49 H 0 0 N N N 24.497 36.229 19.528 -5.262 11.332 10.977 H491 L3P 130 L3P H502 2H50 H 0 0 N N N 26.368 39.129 20.057 -3.940 12.493 13.386 H502 L3P 131 L3P H501 1H50 H 0 0 N N N 25.976 39.659 19.556 -2.260 12.403 12.905 H501 L3P 132 L3P H512 2H51 H 0 0 N N N ? ? ? -4.345 10.226 12.430 H512 L3P 133 L3P H511 1H51 H 0 0 N N N ? ? ? -2.704 10.166 11.853 H511 L3P 134 L3P H522 2H52 H 0 0 N N N ? ? ? -1.862 10.206 14.202 H522 L3P 135 L3P H521 1H52 H 0 0 N N N ? ? ? -3.493 10.379 14.795 H521 L3P 136 L3P H53 H53 H 0 1 N N N ? ? ? -2.662 8.063 15.049 H53 L3P 137 L3P H543 3H54 H 0 0 N N N ? ? ? -2.063 6.659 13.164 H543 L3P 138 L3P H542 2H54 H 0 0 N N N ? ? ? -2.425 7.943 12.006 H542 L3P 139 L3P H541 1H54 H 0 0 N N N ? ? ? -1.071 8.122 13.139 H541 L3P 140 L3P H552 2H55 H 0 0 N N N ? ? ? -4.460 6.774 14.079 H552 L3P 141 L3P H551 1H55 H 0 0 N N N ? ? ? -4.809 8.012 12.895 H551 L3P 142 L3P H562 2H56 H 0 0 N N N ? ? ? -5.195 8.277 15.919 H562 L3P 143 L3P H561 1H56 H 0 0 N N N ? ? ? -5.506 9.574 14.762 H561 L3P 144 L3P H572 2H57 H 0 0 N N N ? ? ? -7.181 8.167 13.596 H572 L3P 145 L3P H571 1H57 H 0 0 N N N ? ? ? -6.874 6.837 14.708 H571 L3P 146 L3P H58 H58 H 0 1 N N N ? ? ? -8.922 8.011 15.367 H58 L3P 147 L3P H593 3H59 H 0 0 N N N ? ? ? -8.357 8.551 17.720 H593 L3P 148 L3P H592 2H59 H 0 0 N N N ? ? ? -7.490 7.107 17.181 H592 L3P 149 L3P H591 1H59 H 0 0 N N N ? ? ? -6.637 8.657 17.305 H591 L3P 150 L3P H603 3H60 H 0 0 N N N ? ? ? -8.864 10.397 16.149 H603 L3P 151 L3P H602 2H60 H 0 0 N N N ? ? ? -7.205 10.546 15.544 H602 L3P 152 L3P H601 1H60 H 0 0 N N N ? ? ? -8.547 10.255 14.422 H601 L3P 153 # 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 L3P C1 C2 SING N N 1 L3P C1 O1 SING N N 2 L3P C1 H12 SING N N 3 L3P C1 H11 SING N N 4 L3P C2 C3 SING N N 5 L3P C2 O2 SING N N 6 L3P C2 H2 SING N N 7 L3P C3 O3 SING N N 8 L3P C3 H32 SING N N 9 L3P C3 H31 SING N N 10 L3P C4 C5 SING N N 11 L3P C4 O4 SING N N 12 L3P C4 H42 SING N N 13 L3P C4 H41 SING N N 14 L3P C5 C6 SING N N 15 L3P C5 O5 SING N N 16 L3P C5 H5 SING N N 17 L3P C6 O6 SING N N 18 L3P C6 H62 SING N N 19 L3P C6 H61 SING N N 20 L3P O1 C11 SING N N 21 L3P O2 C41 SING N N 22 L3P O3 P1 SING N N 23 L3P O4 P1 SING N N 24 L3P O5 H5O SING N N 25 L3P O6 P2 SING N N 26 L3P O1P P1 DOUB N N 27 L3P O2P P1 SING N N 28 L3P O4P P2 DOUB N N 29 L3P O5P P2 SING N N 30 L3P O6P P2 SING N N 31 L3P O6P HOP6 SING N N 32 L3P C11 C12 SING N N 33 L3P C11 H112 SING N N 34 L3P C11 H111 SING N N 35 L3P C12 C13 SING N N 36 L3P C12 H122 SING N N 37 L3P C12 H121 SING N N 38 L3P C13 C14 SING N N 39 L3P C13 C15 SING N N 40 L3P C13 H13 SING N N 41 L3P C14 H143 SING N N 42 L3P C14 H142 SING N N 43 L3P C14 H141 SING N N 44 L3P C15 C16 SING N N 45 L3P C15 H152 SING N N 46 L3P C15 H151 SING N N 47 L3P C16 C17 SING N N 48 L3P C16 H162 SING N N 49 L3P C16 H161 SING N N 50 L3P C17 C18 SING N N 51 L3P C17 H172 SING N N 52 L3P C17 H171 SING N N 53 L3P C18 C19 SING N N 54 L3P C18 C20 SING N N 55 L3P C18 H18 SING N N 56 L3P C19 H193 SING N N 57 L3P C19 H192 SING N N 58 L3P C19 H191 SING N N 59 L3P C20 C21 SING N N 60 L3P C20 H202 SING N N 61 L3P C20 H201 SING N N 62 L3P C21 C22 SING N N 63 L3P C21 H212 SING N N 64 L3P C21 H211 SING N N 65 L3P C22 C23 SING N N 66 L3P C22 H222 SING N N 67 L3P C22 H221 SING N N 68 L3P C23 C24 SING N N 69 L3P C23 C25 SING N N 70 L3P C23 H23 SING N N 71 L3P C24 H243 SING N N 72 L3P C24 H242 SING N N 73 L3P C24 H241 SING N N 74 L3P C25 C26 SING N N 75 L3P C25 H252 SING N N 76 L3P C25 H251 SING N N 77 L3P C26 C27 SING N N 78 L3P C26 H262 SING N N 79 L3P C26 H261 SING N N 80 L3P C27 C28 SING N N 81 L3P C27 H272 SING N N 82 L3P C27 H271 SING N N 83 L3P C28 C29 SING N N 84 L3P C28 C30 SING N N 85 L3P C28 H28 SING N N 86 L3P C29 H293 SING N N 87 L3P C29 H292 SING N N 88 L3P C29 H291 SING N N 89 L3P C30 H303 SING N N 90 L3P C30 H302 SING N N 91 L3P C30 H301 SING N N 92 L3P C41 C42 SING N N 93 L3P C41 H412 SING N N 94 L3P C41 H411 SING N N 95 L3P C42 C43 SING N N 96 L3P C42 H422 SING N N 97 L3P C42 H421 SING N N 98 L3P C43 C44 SING N N 99 L3P C43 C45 SING N N 100 L3P C43 H43 SING N N 101 L3P C44 H443 SING N N 102 L3P C44 H442 SING N N 103 L3P C44 H441 SING N N 104 L3P C45 C46 SING N N 105 L3P C45 H452 SING N N 106 L3P C45 H451 SING N N 107 L3P C46 C47 SING N N 108 L3P C46 H462 SING N N 109 L3P C46 H461 SING N N 110 L3P C47 C48 SING N N 111 L3P C47 H472 SING N N 112 L3P C47 H471 SING N N 113 L3P C48 C49 SING N N 114 L3P C48 C50 SING N N 115 L3P C48 H48 SING N N 116 L3P C49 H493 SING N N 117 L3P C49 H492 SING N N 118 L3P C49 H491 SING N N 119 L3P C50 C51 SING N N 120 L3P C50 H502 SING N N 121 L3P C50 H501 SING N N 122 L3P C51 C52 SING N N 123 L3P C51 H512 SING N N 124 L3P C51 H511 SING N N 125 L3P C52 C53 SING N N 126 L3P C52 H522 SING N N 127 L3P C52 H521 SING N N 128 L3P C53 C54 SING N N 129 L3P C53 C55 SING N N 130 L3P C53 H53 SING N N 131 L3P C54 H543 SING N N 132 L3P C54 H542 SING N N 133 L3P C54 H541 SING N N 134 L3P C55 C56 SING N N 135 L3P C55 H552 SING N N 136 L3P C55 H551 SING N N 137 L3P C56 C57 SING N N 138 L3P C56 H562 SING N N 139 L3P C56 H561 SING N N 140 L3P C57 C58 SING N N 141 L3P C57 H572 SING N N 142 L3P C57 H571 SING N N 143 L3P C58 C59 SING N N 144 L3P C58 C60 SING N N 145 L3P C58 H58 SING N N 146 L3P C59 H593 SING N N 147 L3P C59 H592 SING N N 148 L3P C59 H591 SING N N 149 L3P C60 H603 SING N N 150 L3P C60 H602 SING N N 151 L3P C60 H601 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 L3P SMILES ACDLabs 10.04 "[O-]P(=O)(O)OCC(O)COP([O-])(=O)OCC(OCCC(C)CCCC(C)CCCC(C)CCCC(C)C)COCCC(C)CCCC(C)CCCC(C)CCCC(C)C" L3P SMILES_CANONICAL CACTVS 3.341 "CC(C)CCCC(C)CCC[C@@H](C)CCC[C@@H](C)CCOC[C@@H](CO[P]([O-])(=O)OC[C@H](O)CO[P](O)([O-])=O)OCC[C@H](C)CCC[C@H](C)CCCC(C)CCCC(C)C" L3P SMILES CACTVS 3.341 "CC(C)CCCC(C)CCC[CH](C)CCC[CH](C)CCOC[CH](CO[P]([O-])(=O)OC[CH](O)CO[P](O)([O-])=O)OCC[CH](C)CCC[CH](C)CCCC(C)CCCC(C)C" L3P SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 "CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCOC[C@@H](CO[P@](=O)([O-])OC[C@@H](CO[P@](=O)(O)[O-])O)OCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C" L3P SMILES "OpenEye OEToolkits" 1.5.0 "CC(C)CCCC(C)CCCC(C)CCCC(C)CCOCC(COP(=O)([O-])OCC(COP(=O)(O)[O-])O)OCCC(C)CCCC(C)CCCC(C)CCCC(C)C" L3P InChI InChI 1.03 ;InChI=1S/C46H96O11P2/c1-37(2)17-11-19-39(5)21-13-23-41(7)25-15-27-43(9)29-31-53-35-46(36-57-59(51,52)56-34-45(47)33-55-58(48,49)50)54-32-30-44(10)28-16-26-42(8)24-14-22-40(6)20-12-18-38(3)4/h37-47H,11-36H2,1-10H3,(H,51,52)(H2,48,49,50)/p-2/t39?,40?,41-,42-,43-,44-,45-,46+/m1/s1 ; L3P InChIKey InChI 1.03 TZXJQSKPTCRGCA-VZSPAKCESA-L # 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 L3P "SYSTEMATIC NAME" ACDLabs 10.04 "(2S)-2,3-bis{[(3R,7R)-3,7,11,15-tetramethylhexadecyl]oxy}propyl (2R)-2-hydroxy-3-[(hydroxyphosphinato)oxy]propyl phosphate" L3P "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 "[(2R)-3-[[(2S)-2,3-bis[(3R,7R,11R)-3,7,11,15-tetramethylhexadecoxy]propoxy]-oxido-phosphoryl]oxy-2-hydroxy-propyl] hydrogen phosphate" # loop_ _pdbx_chem_comp_audit.comp_id _pdbx_chem_comp_audit.action_type _pdbx_chem_comp_audit.date _pdbx_chem_comp_audit.processing_site L3P "Create component" 1999-09-22 EBI L3P "Modify descriptor" 2011-06-04 RCSB #