data_2DP # _chem_comp.id 2DP _chem_comp.name "3-[[3-METHYLPHOSPHONO-GLYCEROLYL]PHOSPHONYL]-[1,2-DI[2,6,10,14-TETRAMETHYL-HEXADECAN-16-YL]GLYCEROL" _chem_comp.type NON-POLYMER _chem_comp.pdbx_type HETAIN _chem_comp.formula "C47 H98 O11 P2" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms ? _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 1999-07-08 _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 901.222 _chem_comp.one_letter_code ? _chem_comp.three_letter_code 2DP _chem_comp.pdbx_model_coordinates_details ? _chem_comp.pdbx_model_coordinates_missing_flag N _chem_comp.pdbx_ideal_coordinates_details ? _chem_comp.pdbx_ideal_coordinates_missing_flag N _chem_comp.pdbx_model_coordinates_db_code 2AT9 _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 2DP C1 C1 C 0 1 N N N 2.349 5.989 -12.643 -0.315 4.229 0.001 C1 2DP 1 2DP C2 C2 C 0 1 N N R 1.578 5.408 -13.846 0.375 3.947 1.337 C2 2DP 2 2DP C3 C3 C 0 1 N N N 1.256 6.460 -14.947 1.833 3.557 1.085 C3 2DP 3 2DP C4 C4 C 0 1 N N N 2.681 4.585 -19.101 4.956 0.459 -1.034 C4 2DP 4 2DP C5 C5 C 0 1 N N S 3.843 5.347 -19.927 5.147 -0.786 -1.901 C5 2DP 5 2DP C6 C6 C 0 1 N N N 3.204 6.074 -21.165 6.642 -1.063 -2.074 C6 2DP 6 2DP C11 C11 C 0 1 N N N 2.300 5.020 -10.400 -0.926 3.384 -2.042 C11 2DP 7 2DP C12 C12 C 0 1 N N N 1.659 5.285 -9.007 -0.912 2.166 -2.967 C12 2DP 8 2DP C13 C13 C 0 1 N N S 2.534 6.072 -7.969 -1.616 2.515 -4.280 C13 2DP 9 2DP C14 C14 C 0 1 N N N 2.809 7.448 -8.549 -0.886 3.678 -4.957 C14 2DP 10 2DP C15 C15 C 0 1 N N N 1.822 6.300 -6.599 -1.602 1.297 -5.206 C15 2DP 11 2DP C16 C16 C 0 1 N N N 2.576 5.779 -5.337 -2.305 1.646 -6.519 C16 2DP 12 2DP C17 C17 C 0 1 N N N 2.896 6.809 -4.209 -2.291 0.428 -7.445 C17 2DP 13 2DP C18 C18 C 0 1 N N S 1.773 7.620 -3.456 -2.995 0.777 -8.758 C18 2DP 14 2DP C19 C19 C 0 1 N N N 0.374 7.060 -3.370 -2.265 1.939 -9.434 C19 2DP 15 2DP C20 C20 C 0 1 N N N 2.061 9.008 -2.780 -2.981 -0.440 -9.683 C20 2DP 16 2DP C21 C21 C 0 1 N N N 1.633 9.316 -1.322 -3.685 -0.091 -10.996 C21 2DP 17 2DP C22 C22 C 0 1 N N N 1.922 8.227 -0.260 -3.671 -1.309 -11.922 C22 2DP 18 2DP C23 C23 C 0 1 N N R 1.906 8.562 1.246 -4.374 -0.960 -13.235 C23 2DP 19 2DP C24 C24 C 0 1 N N N 2.171 9.990 1.659 -5.821 -0.555 -12.946 C24 2DP 20 2DP C25 C25 C 0 1 N N N 1.627 7.472 2.331 -4.360 -2.178 -14.161 C25 2DP 21 2DP C26 C26 C 0 1 N N N 2.374 7.626 3.687 -5.064 -1.829 -15.474 C26 2DP 22 2DP C27 C27 C 0 1 N N N 1.423 8.256 4.681 -5.050 -3.047 -16.399 C27 2DP 23 2DP C28 C28 C 0 1 N N N 1.507 7.752 6.104 -5.754 -2.698 -17.712 C28 2DP 24 2DP C29 C29 C 0 1 N N N 1.009 6.315 6.300 -5.740 -3.916 -18.638 C29 2DP 25 2DP C30 C30 C 0 1 N N N 0.785 8.691 7.071 -7.201 -2.293 -17.424 C30 2DP 26 2DP C41 C41 C 0 1 N N N -0.887 5.435 -13.022 -0.138 3.097 3.405 C41 2DP 27 2DP C42 C42 C 0 1 N N N -1.826 4.343 -12.383 -0.838 1.979 4.180 C42 2DP 28 2DP C43 C43 C 0 1 N N S -3.412 4.492 -12.359 -0.669 2.217 5.682 C43 2DP 29 2DP C44 C44 C 0 1 N N N -4.034 4.344 -13.793 -1.290 3.563 6.058 C44 2DP 30 2DP C45 C45 C 0 1 N N N -4.076 3.444 -11.367 -1.369 1.098 6.457 C45 2DP 31 2DP C46 C46 C 0 1 N N N -4.557 3.871 -9.936 -1.200 1.336 7.959 C46 2DP 32 2DP C47 C47 C 0 1 N N N -3.505 4.413 -8.884 -1.900 0.218 8.734 C47 2DP 33 2DP C48 C48 C 0 1 N N R -2.932 3.535 -7.699 -1.732 0.456 10.236 C48 2DP 34 2DP C49 C49 C 0 1 N N N -2.921 2.024 -8.018 -0.242 0.465 10.587 C49 2DP 35 2DP C50 C50 C 0 1 N N N -3.754 3.801 -6.430 -2.431 -0.662 11.011 C50 2DP 36 2DP C51 C51 C 0 1 N N N -2.942 4.361 -5.249 -2.263 -0.424 12.513 C51 2DP 37 2DP C52 C52 C 0 1 N N N -2.091 3.331 -4.492 -2.962 -1.542 13.288 C52 2DP 38 2DP C53 C53 C 0 1 N N S -1.016 3.862 -3.459 -2.794 -1.305 14.790 C53 2DP 39 2DP C54 C54 C 0 1 N N N -1.384 3.608 -1.954 -3.415 0.041 15.166 C54 2DP 40 2DP C55 C55 C 0 1 N N N 0.399 3.258 -3.915 -3.494 -2.423 15.565 C55 2DP 41 2DP C56 C56 C 0 1 N N N 1.203 2.350 -2.955 -3.325 -2.185 17.067 C56 2DP 42 2DP C57 C57 C 0 1 N N N 2.468 2.971 -2.311 -4.025 -3.303 17.842 C57 2DP 43 2DP C58 C58 C 0 1 N N N 2.245 4.171 -1.340 -3.856 -3.066 19.344 C58 2DP 44 2DP C59 C59 C 0 1 N N N 1.605 3.802 0.034 -4.556 -4.184 20.119 C59 2DP 45 2DP C60 C60 C 0 1 N N N 3.563 4.973 -1.124 -2.367 -3.056 19.695 C60 2DP 46 2DP O1 O1 O 0 1 N N N 1.613 5.824 -11.398 -0.269 3.058 -0.815 O1 2DP 47 2DP O2 O2 O 0 1 N N N 0.360 4.723 -13.384 -0.295 2.875 2.002 O2 2DP 48 2DP O3 O3 O 0 1 N N N 1.784 6.025 -16.267 1.879 2.385 0.267 O3 2DP 49 2DP O4 O4 O 0 1 N N N 2.091 7.838 -18.176 4.077 1.786 1.354 O4 2DP 50 2DP O5 O5 O 0 1 N N N -0.244 7.056 -17.608 4.163 3.270 -0.686 O5 2DP 51 2DP O6 O6 O 0 1 N N N 1.414 5.337 -18.772 3.560 0.717 -0.873 O6 2DP 52 2DP O7 O7 O 0 1 N N N 4.891 4.456 -20.450 4.551 -0.571 -3.182 O7 2DP 53 2DP O8 O8 O 0 1 N N N 4.150 6.295 -22.263 6.820 -2.227 -2.884 O8 2DP 54 2DP O9 O9 O 0 1 N N N 2.678 4.642 -23.706 9.024 -1.274 -3.662 O9 2DP 55 2DP O10 O10 O 0 1 N N N 3.668 6.764 -24.791 9.049 -2.675 -1.563 O10 2DP 56 2DP O11 O11 O 0 1 N N N 5.122 4.814 -24.176 8.683 -3.761 -3.929 O11 2DP 57 2DP P1 P1 P 0 1 N N R 1.224 6.672 -17.745 3.434 2.034 0.044 P1 2DP 58 2DP P2 P2 P 0 1 N N S 3.894 5.605 -23.776 8.407 -2.458 -3.024 P2 2DP 59 2DP CM CM C 0 1 N N N 5.160 3.840 -25.318 10.101 -3.912 -4.015 CM 2DP 60 2DP H11 1H1 H 0 1 N N N 3.373 5.554 -12.569 -1.353 4.507 0.180 H11 2DP 61 2DP H12 2H1 H 0 1 N N N 2.623 7.056 -12.813 0.197 5.047 -0.506 H12 2DP 62 2DP H2 H2 H 0 1 N N N 2.253 4.666 -14.333 0.340 4.840 1.960 H2 2DP 63 2DP H31 1H3 H 0 1 N N N 0.165 6.686 -14.994 2.325 3.355 2.036 H31 2DP 64 2DP H32 2H3 H 0 1 N N N 1.627 7.474 -14.668 2.345 4.374 0.577 H32 2DP 65 2DP H41 1H4 H 0 1 N N N 2.413 3.644 -19.637 5.411 0.295 -0.057 H41 2DP 66 2DP H42 2H4 H 0 1 N N N 3.115 4.179 -18.157 5.431 1.313 -1.517 H42 2DP 67 2DP H5 H5 H 0 1 N N N 4.316 6.050 -19.202 4.673 -1.641 -1.419 H5 2DP 68 2DP H61 1H6 H 0 1 N N N 2.302 5.524 -21.524 7.096 -1.228 -1.097 H61 2DP 69 2DP H62 2H6 H 0 1 N N N 2.725 7.032 -20.856 7.116 -0.209 -2.556 H62 2DP 70 2DP H111 1H11 H 0 0 N N N 3.401 5.193 -10.400 -1.957 3.672 -1.836 H111 2DP 71 2DP H112 2H11 H 0 0 N N N 2.312 3.936 -10.662 -0.406 4.212 -2.523 H112 2DP 72 2DP H121 1H12 H 0 0 N N N 0.679 5.800 -9.137 0.118 1.877 -3.173 H121 2DP 73 2DP H122 2H12 H 0 0 N N N 1.324 4.320 -8.559 -1.432 1.338 -2.486 H122 2DP 74 2DP H13 H13 H 0 1 N N N 3.451 5.465 -7.786 -2.646 2.803 -4.075 H13 2DP 75 2DP H141 1H14 H 0 0 N N N 3.430 8.007 -7.811 0.144 3.389 -5.162 H141 2DP 76 2DP H142 2H14 H 0 0 N N N 3.270 7.407 -9.563 -1.387 3.926 -5.892 H142 2DP 77 2DP H143 3H14 H 0 0 N N N 1.878 7.992 -8.833 -0.896 4.545 -4.297 H143 2DP 78 2DP H151 1H15 H 0 0 N N N 1.580 7.381 -6.474 -0.571 1.008 -5.412 H151 2DP 79 2DP H152 2H15 H 0 0 N N N 0.795 5.866 -6.630 -2.122 0.469 -4.724 H152 2DP 80 2DP H161 1H16 H 0 0 N N N 2.014 4.919 -4.901 -3.336 1.934 -6.314 H161 2DP 81 2DP H162 2H16 H 0 0 N N N 3.519 5.275 -5.653 -1.785 2.474 -7.001 H162 2DP 82 2DP H171 1H17 H 0 0 N N N 3.506 6.283 -3.437 -1.261 0.139 -7.650 H171 2DP 83 2DP H172 2H17 H 0 0 N N N 3.622 7.546 -4.623 -2.811 -0.399 -6.963 H172 2DP 84 2DP H18 H18 H 0 1 N N N 2.835 7.674 -3.790 -4.026 1.065 -8.552 H18 2DP 85 2DP H191 1H19 H 0 0 N N N -0.420 7.633 -2.837 -1.234 1.651 -9.639 H191 2DP 86 2DP H192 2H19 H 0 0 N N N 0.017 6.837 -4.402 -2.766 2.188 -10.369 H192 2DP 87 2DP H193 3H19 H 0 0 N N N 0.428 6.037 -2.928 -2.275 2.807 -8.774 H193 2DP 88 2DP H201 1H20 H 0 0 N N N 3.155 9.205 -2.862 -1.950 -0.729 -9.889 H201 2DP 89 2DP H202 2H20 H 0 0 N N N 1.630 9.801 -3.435 -3.501 -1.269 -9.202 H202 2DP 90 2DP H211 1H21 H 0 0 N N N 2.086 10.281 -0.997 -4.715 0.196 -10.791 H211 2DP 91 2DP H212 2H21 H 0 0 N N N 0.549 9.578 -1.300 -3.165 0.736 -11.478 H212 2DP 92 2DP H221 1H22 H 0 0 N N N 1.219 7.378 -0.433 -2.640 -1.598 -12.128 H221 2DP 93 2DP H222 2H22 H 0 0 N N N 2.906 7.761 -0.500 -4.191 -2.138 -11.440 H222 2DP 94 2DP H23 H23 H 0 1 N N N 1.658 7.512 1.528 -3.854 -0.132 -13.717 H23 2DP 95 2DP H241 1H24 H 0 0 N N N 2.159 10.232 2.747 -6.341 -1.384 -12.465 H241 2DP 96 2DP H242 2H24 H 0 0 N N N 3.141 10.322 1.221 -5.831 0.312 -12.287 H242 2DP 97 2DP H243 3H24 H 0 0 N N N 1.457 10.662 1.128 -6.322 -0.307 -13.882 H243 2DP 98 2DP H251 1H25 H 0 0 N N N 0.529 7.400 2.515 -3.330 -2.467 -14.366 H251 2DP 99 2DP H252 2H25 H 0 0 N N N 1.829 6.461 1.905 -4.880 -3.007 -13.679 H252 2DP 100 2DP H261 1H26 H 0 0 N N N 2.803 6.664 4.052 -6.095 -1.541 -15.268 H261 2DP 101 2DP H262 2H26 H 0 0 N N N 3.330 8.190 3.589 -4.544 -1.001 -15.955 H262 2DP 102 2DP H271 1H27 H 0 0 N N N 1.544 9.364 4.667 -4.019 -3.336 -16.605 H271 2DP 103 2DP H272 2H27 H 0 0 N N N 0.375 8.162 4.310 -5.570 -3.876 -15.918 H272 2DP 104 2DP H28 H28 H 0 1 N N N 2.597 7.738 6.335 -5.234 -1.870 -18.194 H28 2DP 105 2DP H291 1H29 H 0 0 N N N 1.070 5.943 7.349 -6.241 -3.668 -19.573 H291 2DP 106 2DP H292 2H29 H 0 0 N N N -0.030 6.207 5.911 -4.709 -4.205 -18.844 H292 2DP 107 2DP H293 3H29 H 0 0 N N N 1.544 5.621 5.610 -6.260 -4.745 -18.156 H293 2DP 108 2DP H301 1H30 H 0 0 N N N 0.846 8.319 8.120 -7.720 -3.122 -16.942 H301 2DP 109 2DP H302 2H30 H 0 0 N N N 1.163 9.736 6.984 -7.210 -1.426 -16.764 H302 2DP 110 2DP H303 3H30 H 0 0 N N N -0.271 8.864 6.760 -7.702 -2.045 -18.359 H303 2DP 111 2DP H411 1H41 H 0 0 N N N -1.352 5.983 -13.873 0.922 3.104 3.655 H411 2DP 112 2DP H412 2H41 H 0 0 N N N -0.722 6.322 -12.367 -0.581 4.057 3.673 H412 2DP 113 2DP H421 1H42 H 0 0 N N N -1.585 3.366 -12.865 -1.899 1.972 3.930 H421 2DP 114 2DP H422 2H42 H 0 0 N N N -1.486 4.177 -11.334 -0.395 1.019 3.912 H422 2DP 115 2DP H43 H43 H 0 1 N N N -3.632 5.520 -11.990 0.391 2.223 5.932 H43 2DP 116 2DP H441 1H44 H 0 0 N N N -5.144 4.448 -13.776 -2.351 3.557 5.808 H441 2DP 117 2DP H442 2H44 H 0 0 N N N -3.570 5.058 -14.512 -1.170 3.733 7.128 H442 2DP 118 2DP H443 3H44 H 0 0 N N N -3.723 3.386 -14.273 -0.792 4.360 5.506 H443 2DP 119 2DP H451 1H45 H 0 0 N N N -4.937 2.969 -11.892 -2.430 1.092 6.207 H451 2DP 120 2DP H452 2H45 H 0 0 N N N -3.374 2.584 -11.252 -0.926 0.139 6.189 H452 2DP 121 2DP H461 1H46 H 0 0 N N N -5.369 4.626 -10.045 -0.140 1.343 8.209 H461 2DP 122 2DP H462 2H46 H 0 0 N N N -5.108 3.017 -9.478 -1.643 2.296 8.227 H462 2DP 123 2DP H471 1H47 H 0 0 N N N -2.633 4.805 -9.458 -2.961 0.211 8.484 H471 2DP 124 2DP H472 2H47 H 0 0 N N N -3.932 5.339 -8.434 -1.458 -0.741 8.466 H472 2DP 125 2DP H48 H48 H 0 1 N N N -1.868 3.833 -7.545 -2.174 1.415 10.504 H48 2DP 126 2DP H491 1H49 H 0 0 N N N -2.517 1.405 -7.182 0.199 -0.494 10.319 H491 2DP 127 2DP H492 2H49 H 0 0 N N N -3.935 1.673 -8.318 0.255 1.262 10.035 H492 2DP 128 2DP H493 3H49 H 0 0 N N N -2.370 1.821 -8.965 -0.122 0.634 11.657 H493 2DP 129 2DP H501 1H50 H 0 0 N N N -4.616 4.469 -6.659 -3.492 -0.669 10.761 H501 2DP 130 2DP H502 2H50 H 0 0 N N N -4.301 2.879 -6.122 -1.989 -1.621 10.744 H502 2DP 131 2DP H511 1H51 H 0 0 N N N -2.303 5.208 -5.590 -1.202 -0.417 12.763 H511 2DP 132 2DP H512 2H51 H 0 0 N N N -3.615 4.896 -4.540 -2.705 0.535 12.781 H512 2DP 133 2DP H521 1H52 H 0 0 N N N -2.766 2.609 -3.975 -4.023 -1.549 13.038 H521 2DP 134 2DP H522 2H52 H 0 0 N N N -1.588 2.662 -5.229 -2.520 -2.502 13.021 H522 2DP 135 2DP H53 H53 H 0 1 N N N -0.975 4.975 -3.486 -1.733 -1.298 15.040 H53 2DP 136 2DP H541 1H54 H 0 0 N N N -0.626 3.982 -1.226 -4.476 0.035 14.916 H541 2DP 137 2DP H542 2H54 H 0 0 N N N -2.389 4.031 -1.722 -3.295 0.211 16.236 H542 2DP 138 2DP H543 3H54 H 0 0 N N N -1.588 2.525 -1.780 -2.917 0.838 14.614 H543 2DP 139 2DP H551 1H55 H 0 0 N N N 0.254 2.712 -4.876 -4.555 -2.430 15.315 H551 2DP 140 2DP H552 2H55 H 0 0 N N N 1.055 4.101 -4.232 -3.051 -3.382 15.298 H552 2DP 141 2DP H561 1H56 H 0 0 N N N 0.529 1.959 -2.156 -2.264 -2.178 17.317 H561 2DP 142 2DP H562 2H56 H 0 0 N N N 1.474 1.401 -3.475 -3.768 -1.226 17.335 H562 2DP 143 2DP H571 1H57 H 0 0 N N N 3.052 2.175 -1.793 -5.086 -3.310 17.592 H571 2DP 144 2DP H572 2H57 H 0 0 N N N 3.187 3.266 -3.110 -3.582 -4.263 17.575 H572 2DP 145 2DP H58 H58 H 0 1 N N N 1.491 4.810 -1.856 -4.299 -2.106 19.612 H58 2DP 146 2DP H591 1H59 H 0 0 N N N 1.445 4.659 0.728 -4.436 -4.014 21.190 H591 2DP 147 2DP H592 2H59 H 0 0 N N N 0.647 3.252 -0.123 -5.617 -4.191 19.869 H592 2DP 148 2DP H593 3H59 H 0 0 N N N 2.205 3.008 0.536 -4.114 -5.143 19.852 H593 2DP 149 2DP H601 1H60 H 0 0 N N N 3.403 5.830 -0.429 -1.925 -4.016 19.428 H601 2DP 150 2DP H602 2H60 H 0 0 N N N 4.392 4.313 -0.776 -1.869 -2.259 19.143 H602 2DP 151 2DP H603 3H60 H 0 0 N N N 4.003 5.305 -2.092 -2.247 -2.887 20.766 H603 2DP 152 2DP HO5 HO5 H 0 1 N N N -0.555 7.415 -18.430 3.715 3.397 -1.533 HO5 2DP 153 2DP HO7 HO7 H 0 1 N N N 5.573 4.903 -20.935 4.999 0.191 -3.574 HO7 2DP 154 2DP HOA HOA H 0 1 N N N 3.523 6.374 -25.645 8.620 -3.454 -1.182 HOA 2DP 155 2DP HM1 1HM H 0 1 N N N 6.064 3.257 -25.612 10.337 -4.786 -4.622 HM1 2DP 156 2DP HM2 2HM H 0 1 N N N 4.338 3.105 -25.148 10.534 -3.023 -4.474 HM2 2DP 157 2DP HM3 3HM H 0 1 N N N 4.813 4.387 -26.225 10.514 -4.042 -3.015 HM3 2DP 158 # 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 2DP C1 C2 SING N N 1 2DP C1 O1 SING N N 2 2DP C1 H11 SING N N 3 2DP C1 H12 SING N N 4 2DP C2 C3 SING N N 5 2DP C2 O2 SING N N 6 2DP C2 H2 SING N N 7 2DP C3 O3 SING N N 8 2DP C3 H31 SING N N 9 2DP C3 H32 SING N N 10 2DP C4 C5 SING N N 11 2DP C4 O6 SING N N 12 2DP C4 H41 SING N N 13 2DP C4 H42 SING N N 14 2DP C5 C6 SING N N 15 2DP C5 O7 SING N N 16 2DP C5 H5 SING N N 17 2DP C6 O8 SING N N 18 2DP C6 H61 SING N N 19 2DP C6 H62 SING N N 20 2DP C11 C12 SING N N 21 2DP C11 O1 SING N N 22 2DP C11 H111 SING N N 23 2DP C11 H112 SING N N 24 2DP C12 C13 SING N N 25 2DP C12 H121 SING N N 26 2DP C12 H122 SING N N 27 2DP C13 C14 SING N N 28 2DP C13 C15 SING N N 29 2DP C13 H13 SING N N 30 2DP C14 H141 SING N N 31 2DP C14 H142 SING N N 32 2DP C14 H143 SING N N 33 2DP C15 C16 SING N N 34 2DP C15 H151 SING N N 35 2DP C15 H152 SING N N 36 2DP C16 C17 SING N N 37 2DP C16 H161 SING N N 38 2DP C16 H162 SING N N 39 2DP C17 C18 SING N N 40 2DP C17 H171 SING N N 41 2DP C17 H172 SING N N 42 2DP C18 C19 SING N N 43 2DP C18 C20 SING N N 44 2DP C18 H18 SING N N 45 2DP C19 H191 SING N N 46 2DP C19 H192 SING N N 47 2DP C19 H193 SING N N 48 2DP C20 C21 SING N N 49 2DP C20 H201 SING N N 50 2DP C20 H202 SING N N 51 2DP C21 C22 SING N N 52 2DP C21 H211 SING N N 53 2DP C21 H212 SING N N 54 2DP C22 C23 SING N N 55 2DP C22 H221 SING N N 56 2DP C22 H222 SING N N 57 2DP C23 C24 SING N N 58 2DP C23 C25 SING N N 59 2DP C23 H23 SING N N 60 2DP C24 H241 SING N N 61 2DP C24 H242 SING N N 62 2DP C24 H243 SING N N 63 2DP C25 C26 SING N N 64 2DP C25 H251 SING N N 65 2DP C25 H252 SING N N 66 2DP C26 C27 SING N N 67 2DP C26 H261 SING N N 68 2DP C26 H262 SING N N 69 2DP C27 C28 SING N N 70 2DP C27 H271 SING N N 71 2DP C27 H272 SING N N 72 2DP C28 C29 SING N N 73 2DP C28 C30 SING N N 74 2DP C28 H28 SING N N 75 2DP C29 H291 SING N N 76 2DP C29 H292 SING N N 77 2DP C29 H293 SING N N 78 2DP C30 H301 SING N N 79 2DP C30 H302 SING N N 80 2DP C30 H303 SING N N 81 2DP C41 C42 SING N N 82 2DP C41 O2 SING N N 83 2DP C41 H411 SING N N 84 2DP C41 H412 SING N N 85 2DP C42 C43 SING N N 86 2DP C42 H421 SING N N 87 2DP C42 H422 SING N N 88 2DP C43 C44 SING N N 89 2DP C43 C45 SING N N 90 2DP C43 H43 SING N N 91 2DP C44 H441 SING N N 92 2DP C44 H442 SING N N 93 2DP C44 H443 SING N N 94 2DP C45 C46 SING N N 95 2DP C45 H451 SING N N 96 2DP C45 H452 SING N N 97 2DP C46 C47 SING N N 98 2DP C46 H461 SING N N 99 2DP C46 H462 SING N N 100 2DP C47 C48 SING N N 101 2DP C47 H471 SING N N 102 2DP C47 H472 SING N N 103 2DP C48 C49 SING N N 104 2DP C48 C50 SING N N 105 2DP C48 H48 SING N N 106 2DP C49 H491 SING N N 107 2DP C49 H492 SING N N 108 2DP C49 H493 SING N N 109 2DP C50 C51 SING N N 110 2DP C50 H501 SING N N 111 2DP C50 H502 SING N N 112 2DP C51 C52 SING N N 113 2DP C51 H511 SING N N 114 2DP C51 H512 SING N N 115 2DP C52 C53 SING N N 116 2DP C52 H521 SING N N 117 2DP C52 H522 SING N N 118 2DP C53 C54 SING N N 119 2DP C53 C55 SING N N 120 2DP C53 H53 SING N N 121 2DP C54 H541 SING N N 122 2DP C54 H542 SING N N 123 2DP C54 H543 SING N N 124 2DP C55 C56 SING N N 125 2DP C55 H551 SING N N 126 2DP C55 H552 SING N N 127 2DP C56 C57 SING N N 128 2DP C56 H561 SING N N 129 2DP C56 H562 SING N N 130 2DP C57 C58 SING N N 131 2DP C57 H571 SING N N 132 2DP C57 H572 SING N N 133 2DP C58 C59 SING N N 134 2DP C58 C60 SING N N 135 2DP C58 H58 SING N N 136 2DP C59 H591 SING N N 137 2DP C59 H592 SING N N 138 2DP C59 H593 SING N N 139 2DP C60 H601 SING N N 140 2DP C60 H602 SING N N 141 2DP C60 H603 SING N N 142 2DP O3 P1 SING N N 143 2DP O4 P1 DOUB N N 144 2DP O5 P1 SING N N 145 2DP O5 HO5 SING N N 146 2DP O6 P1 SING N N 147 2DP O7 HO7 SING N N 148 2DP O8 P2 SING N N 149 2DP O9 P2 DOUB N N 150 2DP O10 P2 SING N N 151 2DP O10 HOA SING N N 152 2DP O11 P2 SING N N 153 2DP O11 CM SING N N 154 2DP CM HM1 SING N N 155 2DP CM HM2 SING N N 156 2DP CM HM3 SING N N 157 # 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 2DP SMILES ACDLabs 10.04 "O=P(O)(OC)OCC(O)COP(=O)(O)OCC(OCCC(C)CCCC(C)CCCC(C)CCCC(C)C)COCCC(C)CCCC(C)CCCC(C)CCCC(C)C" 2DP SMILES_CANONICAL CACTVS 3.341 "CO[P@@](O)(=O)OC[C@H](O)CO[P@](O)(=O)OC[C@@H](COCC[C@@H](C)CCC[C@@H](C)CCC[C@H](C)CCCC(C)C)OCC[C@@H](C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C" 2DP SMILES CACTVS 3.341 "CO[P](O)(=O)OC[CH](O)CO[P](O)(=O)OC[CH](COCC[CH](C)CCC[CH](C)CCC[CH](C)CCCC(C)C)OCC[CH](C)CCC[CH](C)CCC[CH](C)CCCC(C)C" 2DP SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 "CC(C)CCCC(C)CCCC(C)CCC[C@H](C)CCOC[C@H](CO[P@](=O)(O)OC[C@H](CO[P@@](=O)(O)OC)O)OCC[C@@H](C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C" 2DP SMILES "OpenEye OEToolkits" 1.5.0 "CC(C)CCCC(C)CCCC(C)CCCC(C)CCOCC(COP(=O)(O)OCC(COP(=O)(O)OC)O)OCCC(C)CCCC(C)CCCC(C)CCCC(C)C" 2DP InChI InChI 1.03 ;InChI=1S/C47H98O11P2/c1-38(2)18-12-20-40(5)22-14-24-42(7)26-16-28-44(9)30-32-54-36-47(37-58-60(51,52)57-35-46(48)34-56-59(49,50)53-11)55-33-31-45(10)29-17-27-43(8)25-15-23-41(6)21-13-19-39(3)4/h38-48H,12-37H2,1-11H3,(H,49,50)(H,51,52)/t40?,41-,42?,43+,44-,45-,46-,47+/m0/s1 ; 2DP InChIKey InChI 1.03 ORVRQEXCVQTLMU-JCHKDBOHSA-N # 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 2DP "SYSTEMATIC NAME" ACDLabs 10.04 "(2S,5R,8R,13S,17S,21R)-2,5-dihydroxy-13,17,21,25-tetramethyl-5-oxido-8-{[(3S,7R,11S)-3,7,11,15-tetramethylhexadecyl]oxy}-4,6,10-trioxa-5-phosphahexacos-1-yl methyl hydrogen (S)-phosphate (non-preferred name)" 2DP "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 "[(2R)-2,3-bis[(3S,7R,11S)-3,7,11,15-tetramethylhexadecoxy]propyl] [(2S)-2-hydroxy-3-(hydroxy-methoxy-phosphoryl)oxy-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 2DP "Create component" 1999-07-08 RCSB 2DP "Modify descriptor" 2011-06-04 RCSB #