data_25L # _chem_comp.id 25L _chem_comp.name "[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-[[(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]methoxy-hydroxy-phosphoryl]oxy-3-hydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate" _chem_comp.type NON-POLYMER _chem_comp.pdbx_type HETAIN _chem_comp.formula "C30 H40 N15 O25 P5" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms "2'-5'-oligoadenylate trimer" _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 2009-09-15 _chem_comp.pdbx_modified_date 2021-03-01 _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 1165.593 _chem_comp.one_letter_code ? _chem_comp.three_letter_code 25L _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 3JQI _chem_comp.pdbx_subcomponent_list ? _chem_comp.pdbx_processing_site PDBJ # # 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 25L N1 N1 N 0 1 Y N N -8.371 -26.410 -21.374 -12.788 -6.465 0.191 N1 25L 1 25L C2 C2 C 0 1 Y N N -7.753 -27.595 -21.420 -13.078 -5.768 -0.893 C2 25L 2 25L N3 N3 N 0 1 Y N N -8.165 -28.559 -22.246 -12.517 -4.608 -1.159 N3 25L 3 25L C4 C4 C 0 1 Y N N -9.224 -28.359 -23.060 -11.619 -4.084 -0.330 C4 25L 4 25L C5 C5 C 0 1 Y N N -9.896 -27.135 -23.040 -11.276 -4.786 0.838 C5 25L 5 25L C6 C6 C 0 1 Y N N -9.438 -26.136 -22.161 -11.903 -6.021 1.077 C6 25L 6 25L N6 N6 N 0 1 N N N -10.029 -24.934 -22.079 -11.606 -6.758 2.211 N6 25L 7 25L N7 N7 N 0 1 Y N N -10.886 -27.216 -23.934 -10.354 -4.043 1.495 N7 25L 8 25L C8 C8 C 0 1 Y N N -10.841 -28.430 -24.489 -10.116 -2.955 0.822 C8 25L 9 25L N9 N9 N 0 1 Y N N -9.828 -29.131 -23.960 -10.872 -2.934 -0.312 N9 25L 10 25L "C1'" C1* C 0 1 N N R -9.434 -30.544 -24.302 -10.884 -1.877 -1.327 C1* 25L 11 25L "C2'" C2* C 0 1 N N R -9.805 -31.410 -23.086 -12.031 -0.871 -1.054 C2* 25L 12 25L "O2'" O2* O 0 1 N N N -8.656 -31.660 -22.297 -13.252 -1.318 -1.647 O2* 25L 13 25L "C3'" C3* C 0 1 N N S -10.200 -32.738 -23.686 -11.513 0.409 -1.753 C3* 25L 14 25L "O3'" O3* O 0 1 N N N -9.067 -33.626 -23.627 -12.091 0.538 -3.054 O3* 25L 15 25L "C4'" C4* C 0 1 N N R -10.635 -32.412 -25.137 -9.991 0.193 -1.858 C4* 25L 16 25L "O4'" O4* O 0 1 N N N -10.186 -31.064 -25.449 -9.694 -1.065 -1.229 O4* 25L 17 25L "C5'" C5* C 0 1 N N N -12.173 -32.475 -25.204 -9.254 1.323 -1.136 C5* 25L 18 25L "O5'" O5* O 0 1 N N N -12.733 -31.315 -24.520 -7.847 1.179 -1.337 O5* 25L 19 25L NAB NAB N 0 1 N N N -5.429 -30.137 -16.941 4.759 6.535 3.224 NAB 25L 20 25L NAC NAC N 0 1 N N N -19.994 -28.600 -19.518 -5.098 1.109 6.044 NAC 25L 21 25L OAD OAD O 0 1 N N N -11.158 -24.196 -15.322 14.229 -5.024 0.397 OAD 25L 22 25L OAE OAE O 0 1 N N N -13.216 -26.075 -15.630 10.637 -0.350 -2.289 OAE 25L 23 25L OAF OAF O 0 1 N N N -15.122 -30.861 -25.658 -6.954 2.287 0.747 OAF 25L 24 25L OAG OAG O 0 1 N N N -12.136 -33.202 -17.398 2.206 3.826 -1.139 OAG 25L 25 25L OAH OAH O 0 1 N N N -10.780 -22.851 -18.920 12.848 -2.951 -1.400 OAH 25L 26 25L OAK OAK O 0 1 N N N -13.082 -29.986 -21.114 4.280 -0.171 -3.024 OAK 25L 27 25L OAL OAL O 0 1 N N N -14.149 -34.820 -23.227 -3.763 2.384 -2.946 OAL 25L 28 25L OAM OAM O 0 1 N N N -14.266 -24.853 -17.627 9.733 -2.598 -3.000 OAM 25L 29 25L OAN OAN O 0 1 N N N -10.892 -21.908 -14.218 12.745 -5.820 2.276 OAN 25L 30 25L OAO OAO O 0 1 N N N -13.267 -22.831 -14.672 14.294 -3.714 2.553 OAO 25L 31 25L OAP OAP O 0 1 N N N -14.542 -29.925 -23.285 -6.957 3.652 -1.376 OAP 25L 32 25L OAQ OAQ O 0 1 N N N -14.170 -31.681 -17.696 2.156 2.918 -3.494 OAQ 25L 33 25L OAR OAR O 0 1 N N N -13.317 -22.996 -18.565 12.833 -1.130 0.348 OAR 25L 34 25L CAT CAT C 0 1 Y N N -6.728 -31.460 -19.936 2.474 3.859 2.587 CAT 25L 35 25L CAU CAU C 0 1 Y N N -20.286 -31.110 -22.006 -6.234 -0.539 3.083 CAU 25L 36 25L CAW CAW C 0 1 Y N N -9.345 -28.643 -17.725 6.409 3.558 0.573 CAW 25L 37 25L CAX CAX C 0 1 Y N N -16.261 -30.757 -20.091 -2.788 2.198 2.567 CAX 25L 38 25L CAY CAY C 0 1 N N N -12.791 -26.658 -19.439 7.512 -0.305 -2.247 CAY 25L 39 25L CBA CBA C 0 1 N N N -14.372 -34.053 -19.529 -0.659 2.778 -1.817 CBA 25L 40 25L NBC NBC N 0 1 Y N N -5.899 -31.217 -18.927 2.994 4.979 3.057 NBC 25L 41 25L NBD NBD N 0 1 Y N N -20.561 -30.109 -21.160 -6.131 -0.155 4.342 NBD 25L 42 25L NBF NBF N 0 1 Y N N -7.925 -30.885 -20.004 3.135 3.060 1.776 NBF 25L 43 25L NBG NBG N 0 1 Y N N -19.051 -31.655 -22.029 -5.429 -0.096 2.140 NBG 25L 44 25L NBI NBI N 0 1 Y N N -8.150 -28.897 -17.180 6.210 4.600 1.326 NBI 25L 45 25L NBJ NBJ N 0 1 Y N N -17.204 -29.880 -19.641 -3.274 2.081 3.769 NBJ 25L 46 25L OBK OBK O 0 1 N N N -12.595 -26.850 -17.991 8.383 -1.030 -1.378 OBK 25L 47 25L OBM OBM O 0 1 N N N -13.374 -33.097 -19.653 0.530 2.006 -1.640 OBM 25L 48 25L OBO OBO O 0 1 N N N -10.887 -27.999 -20.154 6.429 0.910 -0.426 OBO 25L 49 25L OBP OBP O 0 1 N N N -16.214 -33.953 -21.066 -1.878 1.615 -0.049 OBP 25L 50 25L OBQ OBQ O 0 1 N N N -11.819 -31.234 -19.054 3.105 1.495 -1.498 OBQ 25L 51 25L OBR OBR O 0 1 N N N -14.915 -32.413 -23.790 -5.280 1.657 -1.033 OBR 25L 52 25L OBS OBS O 0 1 N N N -11.795 -22.107 -16.652 12.212 -3.613 0.951 OBS 25L 53 25L OBT OBT O 0 1 N N N -11.696 -24.558 -17.194 10.598 -2.182 -0.552 OBT 25L 54 25L CBV CBV C 0 1 Y N N -6.260 -30.374 -17.943 4.224 5.359 2.727 CBV 25L 55 25L CBW CBW C 0 1 Y N N -19.645 -29.594 -20.326 -5.197 0.711 4.723 CBW 25L 56 25L CBY CBY C 0 1 Y N N -7.508 -29.756 -17.979 4.968 4.539 1.863 CBY 25L 57 25L CBZ CBZ C 0 1 Y N N -18.344 -30.128 -20.329 -4.314 1.213 3.752 CBZ 25L 58 25L CCB CCB C 0 1 Y N N -8.342 -30.039 -19.049 4.371 3.357 1.391 CCB 25L 59 25L CCC CCC C 0 1 Y N N -18.078 -31.193 -21.213 -4.465 0.772 2.427 CCC 25L 60 25L CCF CCF C 0 1 N N R -12.919 -29.207 -19.914 5.223 0.740 -2.458 CCF 25L 61 25L CCG CCG C 0 1 N N R -14.056 -33.910 -22.101 -3.180 2.725 -1.687 CCG 25L 62 25L CCI CCI C 0 1 N N R -12.323 -27.850 -20.306 6.200 -0.004 -1.520 CCI 25L 63 25L CCJ CCJ C 0 1 N N R -14.863 -34.468 -20.917 -1.878 1.925 -1.459 CCJ 25L 64 25L CCK CCK C 0 1 N N R -11.846 -29.805 -19.014 4.511 1.751 -1.532 CCK 25L 65 25L CCL CCL C 0 1 N N R -14.758 -32.580 -22.395 -4.100 2.284 -0.527 CCL 25L 66 25L CCN CCN C 0 1 N N R -10.605 -29.351 -19.771 5.141 1.497 -0.144 CCN 25L 67 25L CCO CCO C 0 1 N N R -16.182 -32.704 -21.853 -3.245 1.270 0.265 CCO 25L 68 25L NCQ NCQ N 0 1 Y N N -9.457 -29.341 -18.868 5.304 2.760 0.580 NCQ 25L 69 25L NCR NCR N 0 1 Y N N -16.806 -31.558 -21.048 -3.489 1.410 1.703 NCR 25L 70 25L PCS PCS P 0 1 N N N -11.736 -22.842 -15.217 13.388 -4.553 1.520 PCS 25L 71 25L PCT PCT P 0 1 N N N -12.953 -25.597 -17.002 9.855 -1.515 -1.815 PCT 25L 72 25L PCU PCU P 0 1 N N N -14.361 -31.081 -24.398 -6.764 2.196 -0.718 PCU 25L 73 25L PCV PCV P 0 1 N N N -12.845 -32.350 -18.386 2.004 2.588 -1.926 PCV 25L 74 25L PCW PCW P 0 1 N N N -11.836 -23.100 -17.903 12.138 -2.479 -0.190 PCW 25L 75 25L H2 H2 H 0 1 N N N -6.905 -27.775 -20.777 -13.803 -6.166 -1.588 H2 25L 76 25L HN6 HN6 H 0 1 N N N -9.557 -24.376 -21.396 -12.045 -7.609 2.365 HN6 25L 77 25L HN6A HN6A H 0 0 N N N -9.985 -24.480 -22.969 -10.958 -6.424 2.850 HN6A 25L 78 25L H8 H8 H 0 1 N N N -11.518 -28.792 -25.249 -9.421 -2.183 1.118 H8 25L 79 25L "H1'" H1* H 0 1 N N N -8.363 -30.566 -24.551 -10.977 -2.305 -2.325 H1* 25L 80 25L "H2'" H2* H 0 1 N N N -10.578 -30.928 -22.470 -12.158 -0.707 0.016 H2* 25L 81 25L "HO2'" HO2* H 0 0 N N N -8.895 -32.195 -21.549 -14.000 -0.722 -1.504 HO2* 25L 82 25L "H3'" H3* H 0 1 N N N -11.019 -33.244 -23.154 -11.735 1.290 -1.149 H3* 25L 83 25L "HO3'" HO3* H 0 0 N N N -9.303 -34.466 -24.002 -13.055 0.618 -3.050 HO3* 25L 84 25L "H4'" H4* H 0 1 N N N -10.203 -33.126 -25.854 -9.692 0.163 -2.906 H4* 25L 85 25L "H5'" H5* H 0 1 N N N -12.496 -32.473 -26.256 -9.581 2.283 -1.535 H5* 25L 86 25L "H5'A" H5*A H 0 0 N N N -12.525 -33.395 -24.715 -9.475 1.278 -0.070 H5*A 25L 87 25L HNAB HNAB H 0 0 N N N -4.588 -30.661 -17.074 4.235 7.092 3.820 HNAB 25L 88 25L HNAA HNAA H 0 0 N N N -5.212 -29.161 -16.912 5.658 6.801 2.976 HNAA 25L 89 25L HNAC HNAC H 0 0 N N N -20.956 -28.371 -19.666 -5.714 0.755 6.705 HNAC 25L 90 25L HNAD HNAD H 0 0 N N N -19.861 -28.881 -18.568 -4.412 1.742 6.310 HNAD 25L 91 25L HOAK HOAK H 0 0 N N N -13.451 -30.833 -20.894 4.680 -0.865 -3.567 HOAK 25L 92 25L HOAL HOAL H 0 0 N N N -13.650 -34.473 -23.957 -3.201 2.584 -3.707 HOAL 25L 93 25L HOAM HOAM H 0 0 N N N -14.969 -24.862 -16.989 9.232 -3.389 -2.760 HOAM 25L 94 25L HOAN HOAN H 0 0 N N N -10.159 -22.400 -13.867 13.397 -6.431 2.645 HOAN 25L 95 25L HOAO HOAO H 0 0 N N N -13.550 -23.722 -14.504 13.807 -3.374 3.316 HOAO 25L 96 25L HOAP HOAP H 0 0 N N N -15.129 -29.255 -23.616 -6.847 3.668 -2.336 HOAP 25L 97 25L HOAQ HOAQ H 0 0 N N N -14.234 -31.965 -16.792 2.036 2.151 -4.071 HOAQ 25L 98 25L HOAR HOAR H 0 0 N N N -13.237 -22.793 -19.490 12.418 -0.764 1.141 HOAR 25L 99 25L HAT HAT H 0 1 N N N -6.423 -32.139 -20.718 1.473 3.586 2.885 HAT 25L 100 25L HAU HAU H 0 1 N N N -21.052 -31.481 -22.670 -7.004 -1.249 2.817 HAU 25L 101 25L HAW HAW H 0 1 N N N -10.096 -27.985 -17.314 7.317 3.354 0.024 HAW 25L 102 25L HAX HAX H 0 1 N N N -15.240 -30.808 -19.742 -1.953 2.826 2.295 HAX 25L 103 25L HAY HAY H 0 1 N N N -13.866 -26.511 -19.618 7.988 0.631 -2.540 HAY 25L 104 25L HAYA HAYA H 0 0 N N N -12.216 -25.771 -19.744 7.306 -0.902 -3.136 HAYA 25L 105 25L HBA HBA H 0 1 N N N -13.972 -34.933 -19.005 -0.625 3.652 -1.168 HBA 25L 106 25L HBAA HBAA H 0 0 N N N -15.211 -33.633 -18.955 -0.733 3.099 -2.856 HBAA 25L 107 25L HCF HCF H 0 1 N N N -13.899 -29.158 -19.416 5.771 1.260 -3.244 HCF 25L 108 25L HCG HCG H 0 1 N N N -12.982 -33.785 -21.898 -2.984 3.796 -1.636 HCG 25L 109 25L HCI HCI H 0 1 N N N -12.653 -27.609 -21.327 5.749 -0.927 -1.156 HCI 25L 110 25L HCJ HCJ H 0 1 N N N -14.770 -35.563 -20.956 -1.886 1.009 -2.049 HCJ 25L 111 25L HCK HCK H 0 1 N N N -11.968 -29.514 -17.960 4.704 2.772 -1.860 HCK 25L 112 25L HCL HCL H 0 1 N N N -14.177 -31.754 -21.958 -4.361 3.138 0.099 HCL 25L 113 25L HCN HCN H 0 1 N N N -10.378 -30.007 -20.624 4.525 0.806 0.431 HCN 25L 114 25L HCO HCO H 0 1 N N N -16.822 -32.682 -22.748 -3.464 0.253 -0.061 HCO 25L 115 # # 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 25L N1 C2 DOUB Y N 1 25L N1 C6 SING Y N 2 25L C2 N3 SING Y N 3 25L N3 C4 DOUB Y N 4 25L C4 C5 SING Y N 5 25L C4 N9 SING Y N 6 25L C5 C6 DOUB Y N 7 25L C5 N7 SING Y N 8 25L C6 N6 SING N N 9 25L N7 C8 DOUB Y N 10 25L C8 N9 SING Y N 11 25L N9 "C1'" SING N N 12 25L "C1'" "C2'" SING N N 13 25L "C1'" "O4'" SING N N 14 25L "C2'" "O2'" SING N N 15 25L "C2'" "C3'" SING N N 16 25L "C3'" "O3'" SING N N 17 25L "C3'" "C4'" SING N N 18 25L "C4'" "O4'" SING N N 19 25L "C4'" "C5'" SING N N 20 25L "C5'" "O5'" SING N N 21 25L "O5'" PCU SING N N 22 25L NAB CBV SING N N 23 25L NAC CBW SING N N 24 25L OAD PCS DOUB N N 25 25L OAE PCT DOUB N N 26 25L OAF PCU DOUB N N 27 25L OAG PCV DOUB N N 28 25L OAH PCW DOUB N N 29 25L OAK CCF SING N N 30 25L OAL CCG SING N N 31 25L OAM PCT SING N N 32 25L OAN PCS SING N N 33 25L OAO PCS SING N N 34 25L OAP PCU SING N N 35 25L OAQ PCV SING N N 36 25L OAR PCW SING N N 37 25L CAT NBC DOUB Y N 38 25L CAT NBF SING Y N 39 25L CAU NBD DOUB Y N 40 25L CAU NBG SING Y N 41 25L CAW NBI DOUB Y N 42 25L CAW NCQ SING Y N 43 25L CAX NBJ DOUB Y N 44 25L CAX NCR SING Y N 45 25L CAY OBK SING N N 46 25L CAY CCI SING N N 47 25L CBA OBM SING N N 48 25L CBA CCJ SING N N 49 25L NBC CBV SING Y N 50 25L NBD CBW SING Y N 51 25L NBF CCB DOUB Y N 52 25L NBG CCC DOUB Y N 53 25L NBI CBY SING Y N 54 25L NBJ CBZ SING Y N 55 25L OBK PCT SING N N 56 25L OBM PCV SING N N 57 25L OBO CCI SING N N 58 25L OBO CCN SING N N 59 25L OBP CCJ SING N N 60 25L OBP CCO SING N N 61 25L OBQ CCK SING N N 62 25L OBQ PCV SING N N 63 25L OBR CCL SING N N 64 25L OBR PCU SING N N 65 25L OBS PCS SING N N 66 25L OBS PCW SING N N 67 25L OBT PCT SING N N 68 25L OBT PCW SING N N 69 25L CBV CBY DOUB Y N 70 25L CBW CBZ DOUB Y N 71 25L CBY CCB SING Y N 72 25L CBZ CCC SING Y N 73 25L CCB NCQ SING Y N 74 25L CCC NCR SING Y N 75 25L CCF CCI SING N N 76 25L CCF CCK SING N N 77 25L CCG CCJ SING N N 78 25L CCG CCL SING N N 79 25L CCK CCN SING N N 80 25L CCL CCO SING N N 81 25L CCN NCQ SING N N 82 25L CCO NCR SING N N 83 25L C2 H2 SING N N 84 25L N6 HN6 SING N N 85 25L N6 HN6A SING N N 86 25L C8 H8 SING N N 87 25L "C1'" "H1'" SING N N 88 25L "C2'" "H2'" SING N N 89 25L "O2'" "HO2'" SING N N 90 25L "C3'" "H3'" SING N N 91 25L "O3'" "HO3'" SING N N 92 25L "C4'" "H4'" SING N N 93 25L "C5'" "H5'" SING N N 94 25L "C5'" "H5'A" SING N N 95 25L NAB HNAB SING N N 96 25L NAB HNAA SING N N 97 25L NAC HNAC SING N N 98 25L NAC HNAD SING N N 99 25L OAK HOAK SING N N 100 25L OAL HOAL SING N N 101 25L OAM HOAM SING N N 102 25L OAN HOAN SING N N 103 25L OAO HOAO SING N N 104 25L OAP HOAP SING N N 105 25L OAQ HOAQ SING N N 106 25L OAR HOAR SING N N 107 25L CAT HAT SING N N 108 25L CAU HAU SING N N 109 25L CAW HAW SING N N 110 25L CAX HAX SING N N 111 25L CAY HAY SING N N 112 25L CAY HAYA SING N N 113 25L CBA HBA SING N N 114 25L CBA HBAA SING N N 115 25L CCF HCF SING N N 116 25L CCG HCG SING N N 117 25L CCI HCI SING N N 118 25L CCJ HCJ SING N N 119 25L CCK HCK SING N N 120 25L CCL HCL SING N N 121 25L CCN HCN SING N N 122 25L CCO HCO SING N N 123 # # 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 25L SMILES_CANONICAL CACTVS 3.352 "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[P](O)(=O)O[P](O)(O)=O)O[C@H]5n6cnc7c(N)ncnc67)O[C@H]4n8cnc9c(N)ncnc89)[C@@H](O)[C@H]3O" 25L SMILES CACTVS 3.352 "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[P](O)(=O)O[P](O)(O)=O)O[CH]5n6cnc7c(N)ncnc67)O[CH]4n8cnc9c(N)ncnc89)[CH](O)[CH]3O" 25L SMILES_CANONICAL "OpenEye OEToolkits" 1.7.0 "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)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O)O)O)N" 25L SMILES "OpenEye OEToolkits" 1.7.0 "c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OC4C(C(OC4n5cnc6c5ncnc6N)COP(=O)(O)OC7C(C(OC7n8cnc9c8ncnc9N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)O)O)N" 25L InChI InChI 1.03 "InChI=1S/C30H40N15O25P5/c31-22-13-25(37-4-34-22)43(7-40-13)28-19(49)16(46)10(64-28)1-61-72(53,54)67-20-17(47)11(65-29(20)44-8-41-14-23(32)35-5-38-26(14)44)2-62-73(55,56)68-21-18(48)12(3-63-74(57,58)70-75(59,60)69-71(50,51)52)66-30(21)45-9-42-15-24(33)36-6-39-27(15)45/h4-12,16-21,28-30,46-49H,1-3H2,(H,53,54)(H,55,56)(H,57,58)(H,59,60)(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" 25L InChIKey InChI 1.03 RTAGLZBJCCVJET-UQTMIEBXSA-N # _pdbx_chem_comp_identifier.comp_id 25L _pdbx_chem_comp_identifier.type "SYSTEMATIC NAME" _pdbx_chem_comp_identifier.program "OpenEye OEToolkits" _pdbx_chem_comp_identifier.program_version 1.6.1 _pdbx_chem_comp_identifier.identifier "[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-[[(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]methoxy-hydroxy-phosphoryl]oxy-3-hydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphono 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 25L "Create component" 2009-09-15 PDBJ 25L "Modify aromatic_flag" 2011-06-04 RCSB 25L "Modify descriptor" 2011-06-04 RCSB 25L "Initial release" 2014-02-05 RCSB 25L "Modify synonyms" 2021-03-01 PDBE # _pdbx_chem_comp_synonyms.ordinal 1 _pdbx_chem_comp_synonyms.comp_id 25L _pdbx_chem_comp_synonyms.name "2'-5'-oligoadenylate trimer" _pdbx_chem_comp_synonyms.provenance ? _pdbx_chem_comp_synonyms.type ? ##