data_25A # _chem_comp.id 25A _chem_comp.name "5'-O-MONOPHOSPHORYLADENYLYL(2'->5')ADENYLYL(2'->5')ADENOSINE" _chem_comp.type NON-POLYMER _chem_comp.pdbx_type HETAIN _chem_comp.formula "C30 H38 N15 O19 P3" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms ? _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 2004-05-23 _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 1005.633 _chem_comp.one_letter_code ? _chem_comp.three_letter_code 25A _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 1WDY _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 25A O1P O1P O 0 1 N N N 27.748 -2.759 16.371 -11.902 -2.894 1.586 O1P 25A 1 25A P P P 0 1 N N N 27.205 -1.783 15.385 -12.516 -2.343 0.204 P 25A 2 25A O2P O2P O 0 1 N N N 27.911 -0.427 15.572 -14.028 -1.845 0.448 O2P 25A 3 25A O3P O3P O 0 1 N N N 27.347 -2.347 13.955 -12.511 -3.426 -0.805 O3P 25A 4 25A "O5'" O5* O 0 1 N N N 25.643 -1.666 15.699 -11.625 -1.112 -0.327 "O5'" 25A 5 25A "C5'" C5* C 0 1 N N N 25.196 -1.090 16.892 -10.333 -1.640 -0.636 "C5'" 25A 6 25A "C4'" C4* C 0 1 N N R 23.732 -1.426 17.113 -9.432 -0.515 -1.148 "C4'" 25A 7 25A "O4'" O4* O 0 1 N N N 22.835 -0.671 16.296 -9.163 0.420 -0.090 "O4'" 25A 8 25A "C1'" C1* C 0 1 N N R 21.747 -1.480 15.872 -7.819 0.911 -0.292 "C1'" 25A 9 25A "C2'" C2* C 0 1 N N R 21.943 -2.784 16.609 -7.036 -0.352 -0.731 "C2'" 25A 10 25A "O2'" O2* O 0 1 N N N 21.336 -2.678 17.868 -5.887 0.004 -1.503 "O2'" 25A 11 25A "C3'" C3* C 0 1 N N R 23.420 -2.885 16.841 -8.078 -1.095 -1.602 "C3'" 25A 12 25A "O3'" O3* O 0 1 N N N 23.730 -3.741 17.925 -7.855 -0.825 -2.988 "O3'" 25A 13 25A N9 N9 N 0 1 Y N N 21.905 -1.597 14.414 -7.276 1.453 0.956 N9 25A 14 25A C8 C8 C 0 1 Y N N 22.485 -2.599 13.679 -7.676 1.129 2.218 C8 25A 15 25A N7 N7 N 0 1 Y N N 22.448 -2.241 12.377 -6.979 1.798 3.091 N7 25A 16 25A C5 C5 C 0 1 Y N N 21.875 -1.018 12.268 -6.090 2.590 2.446 C5 25A 17 25A C6 C6 C 0 1 Y N N 21.614 -0.181 11.185 -5.106 3.506 2.854 C6 25A 18 25A N6 N6 N 0 1 N N N 21.908 -0.516 9.931 -4.883 3.756 4.197 N6 25A 19 25A C4 C4 C 0 1 Y N N 21.539 -0.605 13.551 -6.266 2.374 1.068 C4 25A 20 25A N3 N3 N 0 1 Y N N 20.937 0.580 13.793 -5.508 3.046 0.208 N3 25A 21 25A C2 C2 C 0 1 Y N N 20.678 1.412 12.718 -4.598 3.895 0.636 C2 25A 22 25A N1 N1 N 0 1 Y N N 20.993 1.027 11.435 -4.393 4.127 1.919 N1 25A 23 25A P1 P1 P 0 1 N N R 19.951 -3.350 18.366 -4.609 -0.628 -0.754 P1 25A 24 25A OBP O11P O 0 1 N N N 19.739 -4.633 17.670 -4.430 0.071 0.685 OBP 25A 25 25A OCP O12P O 0 1 N N N 19.926 -3.150 19.835 -4.813 -2.083 -0.574 OCP 25A 26 25A "OF'" O15* O 0 1 N N N 18.859 -2.349 17.735 -3.289 -0.377 -1.641 "OF'" 25A 27 25A "CF'" C15* C 0 1 N N N 18.599 -1.045 18.245 -2.217 -1.059 -0.987 "CF'" 25A 28 25A "CE'" C14* C 0 1 N N R 17.601 -0.406 17.298 -0.925 -0.860 -1.783 "CE'" 25A 29 25A "OE'" O14* O 0 1 N N N 18.241 -0.139 16.020 -0.523 0.519 -1.730 "OE'" 25A 30 25A "CB'" C11* C 0 1 N N R 17.309 -0.336 14.979 0.921 0.538 -1.728 "CB'" 25A 31 25A N19 N19 N 0 1 Y N N 17.892 -1.299 14.061 1.420 1.803 -1.181 N19 25A 32 25A C18 C18 C 0 1 Y N N 18.372 -2.553 14.331 0.749 2.637 -0.337 C18 25A 33 25A N17 N17 N 0 1 Y N N 18.847 -3.169 13.270 1.488 3.669 -0.051 N17 25A 34 25A C15 C15 C 0 1 Y N N 18.657 -2.259 12.242 2.677 3.563 -0.691 C15 25A 35 25A C14 C14 C 0 1 Y N N 18.063 -1.109 12.713 2.650 2.361 -1.420 C14 25A 36 25A N13 N13 N 0 1 Y N N 17.743 -0.016 12.013 3.709 2.023 -2.148 N13 25A 37 25A C12 C12 C 0 1 Y N N 18.061 -0.165 10.721 4.774 2.795 -2.181 C12 25A 38 25A N11 N11 N 0 1 Y N N 18.631 -1.215 10.124 4.849 3.930 -1.510 N11 25A 39 25A C16 C16 C 0 1 Y N N 18.947 -2.300 10.865 3.837 4.353 -0.759 C16 25A 40 25A N16 N16 N 0 1 N N N 19.520 -3.353 10.274 3.925 5.543 -0.058 N16 25A 41 25A "CC'" C12* C 0 1 N N R 16.003 -0.772 15.621 1.296 -0.648 -0.803 "CC'" 25A 42 25A "OC'" O12* O 0 1 N N N 15.186 0.371 15.802 2.600 -1.143 -1.112 "OC'" 25A 43 25A "CD'" C13* C 0 1 N N R 16.411 -1.305 16.968 0.210 -1.692 -1.157 "CD'" 25A 44 25A "OD'" O13* O 0 1 N N N 15.372 -1.141 17.934 0.716 -2.641 -2.098 "OD'" 25A 45 25A P2 P2 P 0 1 N N R 13.844 0.535 14.787 3.466 -1.052 0.243 P2 25A 46 25A OLP O21P O 0 1 N N N 13.297 1.888 15.051 3.648 0.492 0.661 OLP 25A 47 25A OMP O22P O 0 1 N N N 14.240 0.104 13.435 2.764 -1.777 1.326 OMP 25A 48 25A "OP'" O25* O 0 1 N N N 12.850 -0.607 15.324 4.912 -1.718 0.002 "OP'" 25A 49 25A "CP'" C25* C 0 1 N N N 12.425 -0.624 16.681 5.584 -1.714 1.263 "CP'" 25A 50 25A "CO'" C24* C 0 1 N N R 11.012 -1.156 16.826 6.972 -2.336 1.102 "CO'" 25A 51 25A "OO'" O24* O 0 1 N N N 10.069 -0.255 16.201 7.805 -1.501 0.268 "OO'" 25A 52 25A "CL'" C21* C 0 1 N N R 8.882 -0.983 15.923 9.162 -1.885 0.579 "CL'" 25A 53 25A N29 N29 N 0 1 Y N N 8.308 -0.414 14.712 10.094 -0.822 0.193 N29 25A 54 25A C28 C28 C 0 1 Y N N 7.214 0.401 14.665 9.788 0.495 0.023 C28 25A 55 25A N27 N27 N 0 1 Y N N 6.916 0.793 13.455 10.855 1.158 -0.320 N27 25A 56 25A C25 C25 C 0 1 Y N N 7.861 0.200 12.662 11.910 0.311 -0.385 C25 25A 57 25A C24 C24 C 0 1 Y N N 8.738 -0.553 13.414 11.433 -0.970 -0.062 C24 25A 58 25A N23 N23 N 0 1 Y N N 9.782 -1.261 12.952 12.282 -1.993 -0.058 N23 25A 59 25A C22 C22 C 0 1 Y N N 9.890 -1.147 11.631 13.551 -1.813 -0.357 C22 25A 60 25A N21 N21 N 0 1 Y N N 9.115 -0.463 10.786 14.044 -0.629 -0.672 N21 25A 61 25A C26 C26 C 0 1 Y N N 8.073 0.236 11.272 13.272 0.452 -0.702 C26 25A 62 25A N26 N26 N 0 1 N N N 7.297 0.934 10.434 13.797 1.689 -1.034 N26 25A 63 25A "CM'" C22* C 0 1 N N R 9.247 -2.470 15.835 9.178 -2.085 2.110 "CM'" 25A 64 25A "OM'" O22* O 0 1 N N N 8.467 -3.198 16.757 10.014 -3.187 2.469 "OM'" 25A 65 25A "CN'" C23* C 0 1 N N S 10.744 -2.494 16.146 7.702 -2.386 2.463 "CN'" 25A 66 25A "ON'" O23* O 0 1 N N N 11.099 -3.546 17.015 7.581 -3.685 3.048 "ON'" 25A 67 25A H1P H1P H 0 1 N N N 27.864 -3.603 15.951 -11.924 -2.159 2.214 H1P 25A 68 25A H2P H2P H 0 1 N N N 28.056 -0.270 16.498 -14.527 -2.611 0.764 H2P 25A 69 25A "H5'1" 1H5* H 0 0 N N N 25.790 -1.483 17.730 -10.429 -2.407 -1.404 "H5'1" 25A 70 25A "H5'2" 2H5* H 0 0 N N N 25.311 0.002 16.832 -9.895 -2.077 0.261 "H5'2" 25A 71 25A "H4'" H4* H 0 1 N N N 23.577 -1.175 18.173 -9.914 -0.004 -1.981 "H4'" 25A 72 25A "H1'" H1* H 0 1 N N N 20.734 -1.103 16.079 -7.801 1.666 -1.077 "H1'" 25A 73 25A "H2'" H2* H 0 1 N N N 21.528 -3.639 16.055 -6.751 -0.953 0.132 "H2'" 25A 74 25A "H3'" H3* H 0 1 N N N 24.003 -3.327 16.019 -8.039 -2.167 -1.412 "H3'" 25A 75 25A H2 H2 H 0 1 N N N 23.799 -4.636 17.613 -8.531 -1.312 -3.480 H2 25A 76 25A H8 H8 H 0 1 N N N 22.899 -3.515 14.073 -8.457 0.422 2.459 H8 25A 77 25A HN61 1HN6 H 0 0 N N N 21.982 0.311 9.373 -5.410 3.296 4.869 HN61 25A 78 25A HN62 2HN6 H 0 0 N N N 22.778 -1.009 9.913 -4.201 4.390 4.465 HN62 25A 79 25A H3 H3 H 0 1 N N N 20.223 2.376 12.888 -3.996 4.422 -0.090 H3 25A 80 25A H11P H11P H 0 0 N N N 19.693 -4.482 16.733 -4.300 1.015 0.522 H11P 25A 81 25A H151 1H15 H 0 0 N N N 18.182 -1.105 19.261 -2.446 -2.123 -0.927 H151 25A 82 25A H152 2H15 H 0 0 N N N 19.523 -0.452 18.308 -2.090 -0.657 0.018 H152 25A 83 25A "H14'" H14* H 0 0 N N N 17.251 0.500 17.814 -1.078 -1.162 -2.819 "H14'" 25A 84 25A "H11'" H11* H 0 0 N N N 17.084 0.566 14.391 1.309 0.377 -2.734 "H11'" 25A 85 25A H18 H18 H 0 1 N N N 18.362 -2.993 15.317 -0.250 2.467 0.038 H18 25A 86 25A H12 H12 H 0 1 N N N 17.826 0.671 10.079 5.619 2.490 -2.780 H12 25A 87 25A H161 1H16 H 0 0 N N N 19.663 -3.155 9.304 3.180 5.841 0.487 H161 25A 88 25A H162 2H16 H 0 0 N N N 20.401 -3.541 10.709 4.731 6.080 -0.113 H162 25A 89 25A "H12'" H12* H 0 0 N N N 15.450 -1.510 15.022 1.230 -0.358 0.246 "H12'" 25A 90 25A "H13'" H13* H 0 0 N N N 16.635 -2.382 16.971 -0.140 -2.199 -0.257 "H13'" 25A 91 25A H1 H1 H 0 1 N N N 15.751 -1.105 18.804 0.000 -3.264 -2.280 H1 25A 92 25A H21P H21P H 0 0 N N N 13.180 2.006 15.986 4.108 0.927 -0.070 H21P 25A 93 25A H251 1H25 H 0 0 N N N 13.105 -1.271 17.255 5.007 -2.293 1.984 H251 25A 94 25A H252 2H25 H 0 0 N N N 12.441 0.410 17.057 5.684 -0.688 1.618 H252 25A 95 25A "H24'" H24* H 0 0 N N N 10.896 -1.263 17.915 6.892 -3.337 0.677 "H24'" 25A 96 25A "H21'" H21* H 0 0 N N N 8.114 -0.908 16.707 9.418 -2.815 0.072 "H21'" 25A 97 25A H28 H28 H 0 1 N N N 6.652 0.692 15.540 8.806 0.926 0.152 H28 25A 98 25A H22 H22 H 0 1 N N N 10.715 -1.679 11.182 14.214 -2.665 -0.345 H22 25A 99 25A H261 1H26 H 0 0 N N N 6.412 1.108 10.865 14.740 1.774 -1.247 H261 25A 100 25A H262 2H26 H 0 0 N N N 7.739 1.804 10.218 13.223 2.470 -1.056 H262 25A 101 25A "H22'" H22* H 0 0 N N N 9.047 -2.937 14.859 9.512 -1.175 2.609 "H22'" 25A 102 25A H5 H5 H 0 1 N N N 8.975 -3.362 17.543 9.933 -3.299 3.426 H5 25A 103 25A "H23'" H23* H 0 0 N N N 11.332 -2.651 15.230 7.306 -1.627 3.137 "H23'" 25A 104 25A H4 H4 H 0 1 N N N 11.179 -4.353 16.520 8.054 -3.656 3.891 H4 25A 105 # # 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 25A O1P P SING N N 1 25A O1P H1P SING N N 2 25A P O2P SING N N 3 25A P O3P DOUB N N 4 25A P "O5'" SING N N 5 25A O2P H2P SING N N 6 25A "O5'" "C5'" SING N N 7 25A "C5'" "C4'" SING N N 8 25A "C5'" "H5'1" SING N N 9 25A "C5'" "H5'2" SING N N 10 25A "C4'" "O4'" SING N N 11 25A "C4'" "C3'" SING N N 12 25A "C4'" "H4'" SING N N 13 25A "O4'" "C1'" SING N N 14 25A "C1'" "C2'" SING N N 15 25A "C1'" N9 SING N N 16 25A "C1'" "H1'" SING N N 17 25A "C2'" "O2'" SING N N 18 25A "C2'" "C3'" SING N N 19 25A "C2'" "H2'" SING N N 20 25A "O2'" P1 SING N N 21 25A "C3'" "O3'" SING N N 22 25A "C3'" "H3'" SING N N 23 25A "O3'" H2 SING N N 24 25A N9 C8 SING Y N 25 25A N9 C4 SING Y N 26 25A C8 N7 DOUB Y N 27 25A C8 H8 SING N N 28 25A N7 C5 SING Y N 29 25A C5 C6 SING Y N 30 25A C5 C4 DOUB Y N 31 25A C6 N6 SING N N 32 25A C6 N1 DOUB Y N 33 25A N6 HN61 SING N N 34 25A N6 HN62 SING N N 35 25A C4 N3 SING Y N 36 25A N3 C2 DOUB Y N 37 25A C2 N1 SING Y N 38 25A C2 H3 SING N N 39 25A P1 OBP SING N N 40 25A P1 OCP DOUB N N 41 25A P1 "OF'" SING N N 42 25A OBP H11P SING N N 43 25A "OF'" "CF'" SING N N 44 25A "CF'" "CE'" SING N N 45 25A "CF'" H151 SING N N 46 25A "CF'" H152 SING N N 47 25A "CE'" "OE'" SING N N 48 25A "CE'" "CD'" SING N N 49 25A "CE'" "H14'" SING N N 50 25A "OE'" "CB'" SING N N 51 25A "CB'" N19 SING N N 52 25A "CB'" "CC'" SING N N 53 25A "CB'" "H11'" SING N N 54 25A N19 C18 SING Y N 55 25A N19 C14 SING Y N 56 25A C18 N17 DOUB Y N 57 25A C18 H18 SING N N 58 25A N17 C15 SING Y N 59 25A C15 C14 DOUB Y N 60 25A C15 C16 SING Y N 61 25A C14 N13 SING Y N 62 25A N13 C12 DOUB Y N 63 25A C12 N11 SING Y N 64 25A C12 H12 SING N N 65 25A N11 C16 DOUB Y N 66 25A C16 N16 SING N N 67 25A N16 H161 SING N N 68 25A N16 H162 SING N N 69 25A "CC'" "OC'" SING N N 70 25A "CC'" "CD'" SING N N 71 25A "CC'" "H12'" SING N N 72 25A "OC'" P2 SING N N 73 25A "CD'" "OD'" SING N N 74 25A "CD'" "H13'" SING N N 75 25A "OD'" H1 SING N N 76 25A P2 OLP SING N N 77 25A P2 OMP DOUB N N 78 25A P2 "OP'" SING N N 79 25A OLP H21P SING N N 80 25A "OP'" "CP'" SING N N 81 25A "CP'" "CO'" SING N N 82 25A "CP'" H251 SING N N 83 25A "CP'" H252 SING N N 84 25A "CO'" "OO'" SING N N 85 25A "CO'" "CN'" SING N N 86 25A "CO'" "H24'" SING N N 87 25A "OO'" "CL'" SING N N 88 25A "CL'" N29 SING N N 89 25A "CL'" "CM'" SING N N 90 25A "CL'" "H21'" SING N N 91 25A N29 C28 SING Y N 92 25A N29 C24 SING Y N 93 25A C28 N27 DOUB Y N 94 25A C28 H28 SING N N 95 25A N27 C25 SING Y N 96 25A C25 C24 DOUB Y N 97 25A C25 C26 SING Y N 98 25A C24 N23 SING Y N 99 25A N23 C22 DOUB Y N 100 25A C22 N21 SING Y N 101 25A C22 H22 SING N N 102 25A N21 C26 DOUB Y N 103 25A C26 N26 SING N N 104 25A N26 H261 SING N N 105 25A N26 H262 SING N N 106 25A "CM'" "OM'" SING N N 107 25A "CM'" "CN'" SING N N 108 25A "CM'" "H22'" SING N N 109 25A "OM'" H5 SING N N 110 25A "CN'" "ON'" SING N N 111 25A "CN'" "H23'" SING N N 112 25A "ON'" H4 SING N N 113 # # 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 25A SMILES ACDLabs 10.04 "O=P(O)(O)OCC9OC(n1c2ncnc(N)c2nc1)C(OP(=O)(O)OCC8OC(n4cnc3c(ncnc34)N)C(OP(=O)(O)OCC7OC(n5c6ncnc(N)c6nc5)C(O)C7O)C8O)C9O" 25A SMILES_CANONICAL CACTVS 3.341 "Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@](O)(=O)O[C@@H]4[C@H](O)[C@@H](CO[P@](O)(=O)O[C@@H]5[C@H](O)[C@@H](CO[P](O)(O)=O)O[C@H]5n6cnc7c(N)ncnc67)O[C@H]4n8cnc9c(N)ncnc89)[C@@H](O)[C@H]3O" 25A SMILES CACTVS 3.341 "Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[CH]4[CH](O)[CH](CO[P](O)(=O)O[CH]5[CH](O)[CH](CO[P](O)(O)=O)O[CH]5n6cnc7c(N)ncnc67)O[CH]4n8cnc9c(N)ncnc89)[CH](O)[CH]3O" 25A SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 "c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4n5cnc6c5ncnc6N)CO[P@@](=O)(O)O[C@@H]7[C@@H]([C@H](O[C@H]7n8cnc9c8ncnc9N)COP(=O)(O)O)O)O)O)O)N" 25A SMILES "OpenEye OEToolkits" 1.5.0 "c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OC4C(C(OC4n5cnc6c5ncnc6N)COP(=O)(O)OC7C(C(OC7n8cnc9c8ncnc9N)COP(=O)(O)O)O)O)O)O)N" 25A InChI InChI 1.03 "InChI=1S/C30H38N15O19P3/c31-22-13-25(37-4-34-22)43(7-40-13)28-19(49)16(46)10(60-28)2-58-66(53,54)64-21-18(48)12(62-30(21)45-9-42-15-24(33)36-6-39-27(15)45)3-59-67(55,56)63-20-17(47)11(1-57-65(50,51)52)61-29(20)44-8-41-14-23(32)35-5-38-26(14)44/h4-12,16-21,28-30,46-49H,1-3H2,(H,53,54)(H,55,56)(H2,31,34,37)(H2,32,35,38)(H2,33,36,39)(H2,50,51,52)/t10-,11-,12-,16-,17-,18-,19-,20-,21-,28-,29-,30-/m1/s1" 25A InChIKey InChI 1.03 SIIZPVYVXNXXQG-UQTMIEBXSA-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 25A "SYSTEMATIC NAME" ACDLabs 10.04 "[(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-{[(R)-{[(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-{[(R)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}-3-hydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}-3-hydroxytetrahydrofuran-2-yl]methyl dihydrogen phosphate (non-preferred name)" 25A "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 "[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-3-hydroxy-oxolan-2-yl]methyl [(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(phosphonooxymethyl)oxolan-3-yl] 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 25A "Create component" 2004-05-23 RCSB 25A "Modify descriptor" 2011-06-04 RCSB ##