data_FB0 # _chem_comp.id FB0 _chem_comp.name "(2R,3S,4S)-5-({[(acetylcarbamoyl)amino]methyl}[(3S,4R)-6-amino-3,4-dimethylhexyl]amino)-2,3,4-trihydroxypentyl [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)" _chem_comp.type NON-POLYMER _chem_comp.pdbx_type HETAIN _chem_comp.formula "C27 H49 N9 O15 P2" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms ? _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 2010-08-13 _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 801.677 _chem_comp.one_letter_code ? _chem_comp.three_letter_code FB0 _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 3NN6 _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 FB0 P P P 0 1 N N N 99.483 34.298 29.022 1.278 3.856 -0.313 P FB0 1 FB0 PA AP P 0 1 N N N 101.773 36.055 29.367 4.206 3.400 -0.381 AP FB0 2 FB0 N1 N1 N 0 1 N N N 96.245 40.858 23.421 -5.575 -1.518 -1.056 N1 FB0 3 FB0 N1A AN1 N 0 1 Y N N 109.006 31.368 35.910 10.037 -5.437 -0.206 AN1 FB0 4 FB0 O1A AO1 O 0 1 N N N 100.923 37.220 29.422 4.500 4.778 0.070 AO1 FB0 5 FB0 C2 C2 C 0 1 N N N 95.056 41.344 23.065 -5.839 -2.661 -0.390 C2 FB0 6 FB0 O2 O2 O 0 1 N N N 93.989 40.708 23.360 -6.983 -2.936 -0.085 O2 FB0 7 FB0 C2A AC2 C 0 1 Y N N 107.969 32.161 36.444 10.166 -4.733 0.904 AC2 FB0 8 FB0 O2A AO2 O 0 1 N N N 102.940 36.124 28.463 4.495 3.279 -1.960 AO2 FB0 9 FB0 N3 N3 N 0 1 N N N 94.878 42.517 22.375 -4.834 -3.497 -0.063 N3 FB0 10 FB0 N3A AN3 N 0 1 Y N N 107.328 33.065 35.605 9.604 -3.554 1.063 AN3 FB0 11 FB0 C4 C4 C 0 1 N N N 95.747 43.312 21.768 -5.107 -4.686 0.511 C4 FB0 12 FB0 O4 O4 O 0 1 N N N 95.445 44.353 21.380 -6.247 -4.964 0.816 O4 FB0 13 FB0 C4AA AC4 C 0 0 Y N N 107.752 33.151 34.230 8.870 -3.017 0.093 AC4 FB0 14 FB0 N5 N5 N 0 1 N N N 98.913 44.703 21.241 -15.257 -1.376 0.982 N5 FB0 15 FB0 C5AA AC5 C 0 0 Y N N 108.821 32.374 33.707 8.702 -3.727 -1.108 AC5 FB0 16 FB0 C6 C6 C 0 1 N N N 101.122 44.051 21.943 -12.978 -0.646 0.460 C6 FB0 17 FB0 C6A AC6 C 0 1 Y N N 109.480 31.411 34.644 9.322 -4.982 -1.230 AC6 FB0 18 FB0 N6A AN6 N 0 1 N N N 110.252 30.379 34.133 9.192 -5.727 -2.389 AN6 FB0 19 FB0 C7 C7 C 0 1 N N R 102.150 43.061 21.552 -11.499 -0.998 0.628 C7 FB0 20 FB0 N7A AN7 N 0 1 Y N N 109.030 32.716 32.343 7.923 -2.967 -1.915 AN7 FB0 21 FB0 C8 C8 C 0 1 N N S 102.123 41.747 22.443 -10.638 0.130 0.055 C8 FB0 22 FB0 C8A AC8 C 0 1 Y N N 108.058 33.705 32.002 7.609 -1.864 -1.300 AC8 FB0 23 FB0 C9 C9 C 0 1 N N N 101.051 41.613 23.509 -9.162 -0.266 0.129 C9 FB0 24 FB0 N9A AN9 N 0 1 Y N N 107.305 33.992 33.168 8.170 -1.847 -0.058 AN9 FB0 25 FB0 "C1'" C1* C 0 1 N N N 98.364 38.942 23.211 -6.012 1.548 -0.779 C1* FB0 26 FB0 "C1'A" AC1* C 0 0 N N R 106.179 34.886 33.316 8.048 -0.776 0.934 AC1* FB0 27 FB0 C10 C10 C 0 1 N N N 97.667 41.355 23.460 -6.676 -0.664 -1.508 C10 FB0 28 FB0 N10 N10 N 0 1 N N N 98.774 40.323 23.235 -6.900 0.406 -0.526 N10 FB0 29 FB0 O1P O1P O 0 1 N N N 98.890 34.638 30.316 1.273 4.468 -1.661 O1P FB0 30 FB0 "C2'" C2* C 0 1 N N S 98.020 38.734 24.636 -4.579 1.174 -0.393 C2* FB0 31 FB0 "O2'" O2* O 0 1 N N N 97.778 40.057 25.286 -4.542 0.785 0.981 O2* FB0 32 FB0 "C2'A" AC2* C 0 0 N N R 106.308 36.165 32.542 9.254 0.193 0.844 AC2* FB0 33 FB0 "O2'A" AO2* O 0 0 N N N 107.019 37.107 33.359 10.347 -0.279 1.633 AO2* FB0 34 FB0 O2P O2P O 0 1 N N N 98.867 33.746 27.792 1.138 5.010 0.801 O2P FB0 35 FB0 "C3'" C3* C 0 1 N N S 99.240 38.002 25.213 -3.663 2.381 -0.606 C3* FB0 36 FB0 "O3'" O3* O 0 1 N N N 100.072 37.169 24.200 -3.700 2.771 -1.980 O3* FB0 37 FB0 "C3'A" AC3* C 0 0 N N S 104.812 36.499 32.462 8.667 1.497 1.436 AC3* FB0 38 FB0 "O3'A" AO3* O 0 0 N N N 104.362 37.371 33.578 9.028 1.628 2.812 AO3* FB0 39 FB0 O3P O3P O 0 1 N N N 101.076 34.607 28.994 2.659 3.059 -0.091 O3P FB0 40 FB0 "C4'" C4* C 0 1 N N R 98.565 37.419 26.502 -2.230 2.008 -0.220 C4* FB0 41 FB0 "O4'" O4* O 0 1 N N N 97.868 38.388 27.433 -2.193 1.618 1.155 O4* FB0 42 FB0 "C4'A" AC4* C 0 0 N N R 104.020 35.186 32.497 7.142 1.325 1.292 AC4* FB0 43 FB0 "O4'A" AO4* O 0 0 N N N 105.050 34.202 32.686 6.915 0.067 0.635 AO4* FB0 44 FB0 C4A C4A C 0 1 N N N 97.156 42.927 21.645 -3.995 -5.668 0.774 C4A FB0 45 FB0 "C5'" C5* C 0 1 N N N 99.394 36.279 27.050 -1.314 3.214 -0.433 C5* FB0 46 FB0 "O5'" O5* O 0 1 N N N 98.986 35.760 28.412 0.041 2.833 -0.184 O5* FB0 47 FB0 "C5'A" AC5* C 0 0 N N N 103.425 34.893 31.065 6.567 2.464 0.448 AC5* FB0 48 FB0 "O5'A" AO5* O 0 0 N N N 102.369 35.887 30.863 5.142 2.362 0.417 AO5* FB0 49 FB0 C5A C5A C 0 1 N N N 99.788 43.555 21.488 -13.837 -1.713 1.143 C5A FB0 50 FB0 C7M C7M C 0 1 N N N 103.422 43.849 21.325 -11.196 -2.299 -0.116 C7M FB0 51 FB0 C8M C8M C 0 1 N N N 103.467 41.139 22.796 -10.865 1.407 0.866 C8M FB0 52 FB0 C9A C9A C 0 1 N N N 100.240 40.458 22.943 -8.308 0.826 -0.518 C9A FB0 53 FB0 HN1 HN1 H 0 1 N N N 96.175 39.916 23.748 -4.657 -1.263 -1.235 HN1 FB0 54 FB0 HC2 HC2 H 0 1 N N N 107.680 32.068 37.480 10.756 -5.141 1.712 HC2 FB0 55 FB0 HN3 HN3 H 0 1 N N N 93.928 42.825 22.321 -3.915 -3.244 -0.241 HN3 FB0 56 FB0 HN5 HN5 H 0 1 N N N 98.017 44.380 20.936 -15.495 -1.270 0.007 HN5 FB0 57 FB0 HN5A HN5A H 0 0 N N N 98.808 45.229 22.085 -15.845 -2.066 1.425 HN5A FB0 58 FB0 H6 H6 H 0 1 N N N 101.120 44.174 23.036 -13.175 0.325 0.914 H6 FB0 59 FB0 H6A H6A H 0 1 N N N 101.340 45.020 21.471 -13.224 -0.607 -0.601 H6A FB0 60 FB0 HAN6 HAN6 H 0 0 N N N 110.369 29.672 34.831 9.626 -6.591 -2.461 HAN6 FB0 61 FB0 HANA HANA H 0 0 N N N 109.797 29.986 33.334 8.668 -5.384 -3.130 HANA FB0 62 FB0 H7 H7 H 0 1 N N N 101.968 42.548 20.596 -11.273 -1.124 1.687 H7 FB0 63 FB0 H8 H8 H 0 1 N N N 101.723 41.059 21.683 -10.916 0.306 -0.984 H8 FB0 64 FB0 HC8 HC8 H 0 1 N N N 107.921 34.154 31.029 6.996 -1.077 -1.714 HC8 FB0 65 FB0 H9 H9 H 0 1 N N N 101.468 41.389 24.502 -8.870 -0.386 1.172 H9 FB0 66 FB0 H9A H9A H 0 1 N N N 100.455 42.530 23.626 -9.012 -1.207 -0.401 H9A FB0 67 FB0 "H1'" H1* H 0 1 N N N 97.509 38.768 22.541 -6.047 1.808 -1.837 H1* FB0 68 FB0 "H1'A" H1*A H 0 0 N N N 99.165 38.270 22.868 -6.338 2.401 -0.184 H1*A FB0 69 FB0 "HC1'" HC1* H 0 0 N N N 106.084 35.124 34.386 7.964 -1.193 1.938 HC1* FB0 70 FB0 H10 H10 H 0 1 N N N 97.765 42.110 22.666 -6.421 -0.224 -2.472 H10 FB0 71 FB0 H10A H10A H 0 0 N N N 97.829 41.787 24.458 -7.582 -1.261 -1.609 H10A FB0 72 FB0 "H2'" H2* H 0 1 N N N 97.101 38.151 24.797 -4.239 0.346 -1.015 H2* FB0 73 FB0 "HO2'" HO2* H 0 0 N N N 97.557 39.925 26.201 -4.832 1.475 1.594 HO2* FB0 74 FB0 "HC2'" HC2* H 0 0 N N N 106.836 36.145 31.577 9.559 0.338 -0.193 HC2* FB0 75 FB0 HO2A HO2A H 0 0 N N N 107.113 37.927 32.889 11.126 0.294 1.609 HO2A FB0 76 FB0 "H3'" H3* H 0 1 N N N 100.144 38.568 25.483 -4.002 3.209 0.016 H3* FB0 77 FB0 "HO3'" HO3* H 0 0 N N N 100.800 36.757 24.650 -3.410 2.081 -2.592 HO3* FB0 78 FB0 "HC3'" HC3* H 0 0 N N N 104.636 37.050 31.527 9.010 2.362 0.868 HC3* FB0 79 FB0 HO3A HO3A H 0 0 N N N 103.434 37.550 33.486 9.981 1.682 2.965 HO3A FB0 80 FB0 "H4'" H4* H 0 1 N N N 97.614 36.945 26.218 -1.890 1.179 -0.842 H4* FB0 81 FB0 "HO4'" HO4* H 0 0 N N N 97.503 37.913 28.170 -2.483 2.308 1.767 HO4* FB0 82 FB0 "HC4'" HC4* H 0 0 N N N 103.216 35.200 33.247 6.676 1.318 2.277 HC4* FB0 83 FB0 H4A H4A H 0 1 N N N 97.721 43.746 21.175 -3.580 -5.491 1.766 H4A FB0 84 FB0 H4AA H4AA H 0 0 N N N 97.569 42.723 22.644 -4.388 -6.684 0.721 H4AA FB0 85 FB0 H4AB H4AB H 0 0 N N N 97.236 42.023 21.024 -3.214 -5.541 0.024 H4AB FB0 86 FB0 "H5'" H5* H 0 1 N N N 99.311 35.442 26.341 -1.409 3.567 -1.460 H5* FB0 87 FB0 "H5'A" H5*A H 0 0 N N N 100.431 36.636 27.132 -1.598 4.012 0.253 H5*A FB0 88 FB0 "HC5'" HC5* H 0 0 N N N 104.203 34.989 30.293 6.853 3.421 0.886 HC5* FB0 89 FB0 HC5A HC5A H 0 0 N N N 103.015 33.873 31.015 6.958 2.398 -0.567 HC5A FB0 90 FB0 H5A H5A H 0 1 N N N 99.347 42.914 22.266 -13.591 -1.752 2.204 H5A FB0 91 FB0 H5AA H5AA H 0 0 N N N 99.906 42.974 20.562 -13.639 -2.684 0.689 H5AA FB0 92 FB0 H7M H7M H 0 1 N N N 104.230 43.164 21.029 -10.169 -2.603 0.086 H7M FB0 93 FB0 H7MA H7MA H 0 0 N N N 103.258 44.588 20.527 -11.879 -3.079 0.221 H7MA FB0 94 FB0 H7MB H7MB H 0 0 N N N 103.702 44.368 22.254 -11.323 -2.143 -1.188 H7MB FB0 95 FB0 H8M H8M H 0 1 N N N 103.313 40.240 23.411 -10.587 1.231 1.906 H8M FB0 96 FB0 H8MA H8MA H 0 0 N N N 103.999 40.865 21.873 -10.252 2.211 0.458 H8MA FB0 97 FB0 H8MB H8MB H 0 0 N N N 104.064 41.871 23.360 -11.916 1.690 0.814 H8MB FB0 98 FB0 H9AA H9AA H 0 0 N N N 100.320 40.544 21.849 -8.644 0.991 -1.542 H9AA FB0 99 FB0 H9AB H9AB H 0 0 N N N 100.708 39.543 23.336 -8.408 1.750 0.051 H9AB FB0 100 FB0 H48 H48 H 0 1 N N N 102.957 36.970 28.031 4.323 2.400 -2.325 H48 FB0 101 FB0 H49 H49 H 0 1 N N N 97.937 33.616 27.934 1.135 4.681 1.710 H49 FB0 102 # 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 FB0 P O1P DOUB N N 1 FB0 P O2P SING N N 2 FB0 P O3P SING N N 3 FB0 P "O5'" SING N N 4 FB0 PA O1A DOUB N N 5 FB0 PA O2A SING N N 6 FB0 PA O3P SING N N 7 FB0 PA "O5'A" SING N N 8 FB0 N1 C2 SING N N 9 FB0 N1 C10 SING N N 10 FB0 N1 HN1 SING N N 11 FB0 N1A C2A DOUB Y N 12 FB0 N1A C6A SING Y N 13 FB0 C2 O2 DOUB N N 14 FB0 C2 N3 SING N N 15 FB0 C2A N3A SING Y N 16 FB0 C2A HC2 SING N N 17 FB0 N3 C4 SING N N 18 FB0 N3 HN3 SING N N 19 FB0 N3A C4AA DOUB Y N 20 FB0 C4 O4 DOUB N N 21 FB0 C4 C4A SING N N 22 FB0 C4AA C5AA SING Y N 23 FB0 C4AA N9A SING Y N 24 FB0 N5 C5A SING N N 25 FB0 N5 HN5 SING N N 26 FB0 N5 HN5A SING N N 27 FB0 C5AA C6A DOUB Y N 28 FB0 C5AA N7A SING Y N 29 FB0 C6 C7 SING N N 30 FB0 C6 C5A SING N N 31 FB0 C6 H6 SING N N 32 FB0 C6 H6A SING N N 33 FB0 C6A N6A SING N N 34 FB0 N6A HAN6 SING N N 35 FB0 N6A HANA SING N N 36 FB0 C7 C8 SING N N 37 FB0 C7 C7M SING N N 38 FB0 C7 H7 SING N N 39 FB0 N7A C8A DOUB Y N 40 FB0 C8 C9 SING N N 41 FB0 C8 C8M SING N N 42 FB0 C8 H8 SING N N 43 FB0 C8A N9A SING Y N 44 FB0 C8A HC8 SING N N 45 FB0 C9 C9A SING N N 46 FB0 C9 H9 SING N N 47 FB0 C9 H9A SING N N 48 FB0 N9A "C1'A" SING N N 49 FB0 "C1'" N10 SING N N 50 FB0 "C1'" "C2'" SING N N 51 FB0 "C1'" "H1'" SING N N 52 FB0 "C1'" "H1'A" SING N N 53 FB0 "C1'A" "C2'A" SING N N 54 FB0 "C1'A" "O4'A" SING N N 55 FB0 "C1'A" "HC1'" SING N N 56 FB0 C10 N10 SING N N 57 FB0 C10 H10 SING N N 58 FB0 C10 H10A SING N N 59 FB0 N10 C9A SING N N 60 FB0 "C2'" "O2'" SING N N 61 FB0 "C2'" "C3'" SING N N 62 FB0 "C2'" "H2'" SING N N 63 FB0 "O2'" "HO2'" SING N N 64 FB0 "C2'A" "O2'A" SING N N 65 FB0 "C2'A" "C3'A" SING N N 66 FB0 "C2'A" "HC2'" SING N N 67 FB0 "O2'A" HO2A SING N N 68 FB0 "C3'" "O3'" SING N N 69 FB0 "C3'" "C4'" SING N N 70 FB0 "C3'" "H3'" SING N N 71 FB0 "O3'" "HO3'" SING N N 72 FB0 "C3'A" "O3'A" SING N N 73 FB0 "C3'A" "C4'A" SING N N 74 FB0 "C3'A" "HC3'" SING N N 75 FB0 "O3'A" HO3A SING N N 76 FB0 "C4'" "O4'" SING N N 77 FB0 "C4'" "C5'" SING N N 78 FB0 "C4'" "H4'" SING N N 79 FB0 "O4'" "HO4'" SING N N 80 FB0 "C4'A" "O4'A" SING N N 81 FB0 "C4'A" "C5'A" SING N N 82 FB0 "C4'A" "HC4'" SING N N 83 FB0 C4A H4A SING N N 84 FB0 C4A H4AA SING N N 85 FB0 C4A H4AB SING N N 86 FB0 "C5'" "O5'" SING N N 87 FB0 "C5'" "H5'" SING N N 88 FB0 "C5'" "H5'A" SING N N 89 FB0 "C5'A" "O5'A" SING N N 90 FB0 "C5'A" "HC5'" SING N N 91 FB0 "C5'A" HC5A SING N N 92 FB0 C5A H5A SING N N 93 FB0 C5A H5AA SING N N 94 FB0 C7M H7M SING N N 95 FB0 C7M H7MA SING N N 96 FB0 C7M H7MB SING N N 97 FB0 C8M H8M SING N N 98 FB0 C8M H8MA SING N N 99 FB0 C8M H8MB SING N N 100 FB0 C9A H9AA SING N N 101 FB0 C9A H9AB SING N N 102 FB0 O2A H48 SING N N 103 FB0 O2P H49 SING N N 104 # 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 FB0 SMILES ACDLabs 12.01 "O=C(NC(=O)NCN(CCC(C)C(C)CCN)CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)C" FB0 SMILES_CANONICAL CACTVS 3.370 "C[C@H](CCN)[C@@H](C)CCN(CNC(=O)NC(C)=O)C[C@H](O)[C@H](O)[C@H](O)CO[P](O)(=O)O[P](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23" FB0 SMILES CACTVS 3.370 "C[CH](CCN)[CH](C)CCN(CNC(=O)NC(C)=O)C[CH](O)[CH](O)[CH](O)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23" FB0 SMILES_CANONICAL "OpenEye OEToolkits" 1.7.0 "C[C@H](CCN)[C@@H](C)CCN(C[C@@H]([C@@H]([C@@H](COP(=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O)O)O)CNC(=O)NC(=O)C" FB0 SMILES "OpenEye OEToolkits" 1.7.0 "CC(CCN)C(C)CCN(CC(C(C(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O)O)O)O)CNC(=O)NC(=O)C" FB0 InChI InChI 1.03 ;InChI=1S/C27H49N9O15P2/c1-14(4-6-28)15(2)5-7-35(12-33-27(43)34-16(3)37)8-17(38)21(40)18(39)9-48-52(44,45)51-53(46,47)49-10-19-22(41)23(42)26(50-19)36-13-32-20-24(29)30-11-31-25(20)36/h11,13-15,17-19,21-23,26,38-42H,4-10,12,28H2,1-3H3,(H,44,45)(H,46,47)(H2,29,30,31)(H2,33,34,37,43)/t14-,15+,17+,18-,19-,21+,22-,23-,26-/m1/s1 ; FB0 InChIKey InChI 1.03 GXAQOPQBDYJNIO-CCGDWWFSSA-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 FB0 "SYSTEMATIC NAME" ACDLabs 12.01 "(2R,3S,4S)-5-({[(acetylcarbamoyl)amino]methyl}[(3S,4R)-6-amino-3,4-dimethylhexyl]amino)-2,3,4-trihydroxypentyl [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)" FB0 "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.7.0 "[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3S,4S)-5-[[(3S,4R)-6-azanyl-3,4-dimethyl-hexyl]-[(ethanoylcarbamoylamino)methyl]amino]-2,3,4-trihydroxy-pentyl] 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 FB0 "Create component" 2010-08-13 RCSB FB0 "Modify aromatic_flag" 2011-06-04 RCSB FB0 "Modify descriptor" 2011-06-04 RCSB #