data_4CO
# 
_chem_comp.id                                    4CO 
_chem_comp.name                                  "4-HYDROXYPHENACYL COENZYME A" 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C29 H42 N7 O18 P3 S" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2002-05-09 
_chem_comp.pdbx_modified_date                    2008-10-14 
_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                        901.666 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     4CO 
_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   Y 
_chem_comp.pdbx_model_coordinates_db_code        1LO7 
_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 
4CO N1A  AN1  N 0 1 Y N N 27.000 9.169  23.937 -6.344  -8.109 -0.586 N1A  4CO 1   
4CO C2A  AC2  C 0 1 Y N N 25.922 9.888  24.373 -7.370  -7.363 -0.951 C2A  4CO 2   
4CO N3A  AN3  N 0 1 Y N N 25.643 11.139 24.115 -7.338  -6.048 -0.911 N3A  4CO 3   
4CO C4A  AC4  C 0 1 Y N N 26.561 11.708 23.305 -6.253  -5.410 -0.487 C4A  4CO 4   
4CO C5A  AC5  C 0 1 Y N N 27.703 11.110 22.801 -5.131  -6.159 -0.091 C5A  4CO 5   
4CO C6A  AC6  C 0 1 Y N N 27.917 9.764  23.135 -5.214  -7.560 -0.153 C6A  4CO 6   
4CO N6A  AN6  N 0 1 N N N 28.959 9.081  22.710 -4.143  -8.350 0.228  N6A  4CO 7   
4CO N7A  AN7  N 0 1 Y N N 28.431 12.003 22.020 -4.174  -5.276 0.284  N7A  4CO 8   
4CO C8A  AC8  C 0 1 Y N N 27.727 13.141 22.072 -4.624  -4.063 0.143  C8A  4CO 9   
4CO N9A  AN9  N 0 1 Y N N 26.606 13.021 22.851 -5.901  -4.093 -0.333 N9A  4CO 10  
4CO C1D  AC1* C 0 1 N N R 25.645 14.066 23.217 -6.746  -2.931 -0.621 C1D  4CO 11  
4CO C2D  AC2* C 0 1 N N R 26.249 15.070 24.194 -7.578  -2.534 0.625  C2D  4CO 12  
4CO O2D  AO2* O 0 1 N N N 26.258 14.567 25.532 -8.795  -3.281 0.683  O2D  4CO 13  
4CO C3D  AC3* C 0 1 N N S 25.236 16.193 24.053 -7.864  -1.033 0.360  C3D  4CO 14  
4CO O3D  AO3* O 0 1 N N N 23.991 15.797 24.570 -9.164  -0.863 -0.208 O3D  4CO 15  
4CO P3D  AP3* P 0 1 N N N 23.169 16.706 25.568 -9.984  0.102  0.786  P3D  4CO 16  
4CO O7A  AO7  O 0 1 N N N 23.711 16.462 26.889 -11.419 0.443  0.141  O7A  4CO 17  
4CO O8A  AO8  O 0 1 N N N 23.287 18.114 25.177 -10.194 -0.638 2.201  O8A  4CO 18  
4CO O9A  AO9  O 0 1 N N N 21.687 16.250 25.478 -9.226  1.356  0.993  O9A  4CO 19  
4CO C4D  AC4* C 0 1 N N R 25.077 16.181 22.536 -6.771  -0.615 -0.642 C4D  4CO 20  
4CO O4D  AO4* O 0 1 N N N 25.448 14.837 22.100 -5.935  -1.762 -0.870 O4D  4CO 21  
4CO C5D  AC5* C 0 1 N N N 25.800 17.241 21.759 -5.938  0.528  -0.058 C5D  4CO 22  
4CO O5D  AO5* O 0 1 N N N 27.200 16.964 21.850 -5.000  0.981  -1.036 O5D  4CO 23  
4CO P1A  AP1  P 0 1 N N S 28.179 18.154 22.227 -4.162  2.177  -0.357 P1A  4CO 24  
4CO O1A  AO1  O 0 1 N N N 29.463 17.470 22.443 -5.145  3.416  -0.055 O1A  4CO 25  
4CO O2A  AO2  O 0 1 N N N 27.731 18.895 23.384 -3.563  1.703  0.910  O2A  4CO 26  
4CO O3A  AO3  O 0 1 N N N 28.235 19.149 21.076 -2.994  2.650  -1.359 O3A  4CO 27  
4CO P2A  AP2  P 0 1 N N S 29.205 19.240 19.802 -1.901  3.426  -0.467 P2A  4CO 28  
4CO O4A  AO4  O 0 1 N N N 28.638 20.296 18.936 -0.960  2.354  0.280  O4A  4CO 29  
4CO O5A  AO5  O 0 1 N N N 30.532 19.643 20.263 -2.591  4.263  0.540  O5A  4CO 30  
4CO O6A  AO6  O 0 1 N N N 29.493 17.780 19.099 -0.999  4.362  -1.417 O6A  4CO 31  
4CO CBP  PC11 C 0 1 N N N 28.979 16.566 17.167 0.756   6.023  -1.404 CBP  4CO 32  
4CO CCP  PC12 C 0 1 N N N 28.411 17.156 18.460 -0.134  5.108  -0.559 CCP  4CO 33  
4CO CDP  PC13 C 0 1 N N N 29.621 17.657 16.293 1.594   5.176  -2.363 CDP  4CO 34  
4CO CEP  PC14 C 0 1 N N N 27.892 15.800 16.425 -0.121  6.986  -2.207 CEP  4CO 35  
4CO CAP  PC10 C 0 1 N N R 30.205 15.683 17.453 1.683   6.822  -0.485 CAP  4CO 36  
4CO OAP  PO10 O 0 1 N N N 29.860 14.641 18.368 0.905   7.708  0.323  OAP  4CO 37  
4CO C9P  PC9  C 0 1 N N N 30.584 14.863 16.221 2.449   5.875  0.402  C9P  4CO 38  
4CO O9P  PO9  O 0 1 N N N 30.993 15.416 15.222 2.158   5.773  1.574  O9P  4CO 39  
4CO N8P  PN8  N 0 1 N N N 30.342 13.434 16.270 3.459   5.142  -0.109 N8P  4CO 40  
4CO C7P  PC7  C 0 1 N N N 30.517 12.792 14.962 4.221   4.241  0.759  C7P  4CO 41  
4CO C6P  PC6  C 0 1 N N N 29.201 12.728 14.173 5.301   3.534  -0.062 C6P  4CO 42  
4CO C5P  PC5  C 0 1 N N N 29.371 11.742 13.012 6.085   2.607  0.831  C5P  4CO 43  
4CO O5P  PO5  O 0 1 N N N 30.255 11.860 12.170 5.808   2.521  2.008  O5P  4CO 44  
4CO N4P  PN4  N 0 1 N N N 28.374 10.698 13.013 7.094   1.874  0.320  N4P  4CO 45  
4CO C3P  PC3  C 0 1 N N N 28.553 9.661  12.007 7.857   0.973  1.188  C3P  4CO 46  
4CO C2P  PC2  C 0 1 N N N 28.162 10.143 10.635 8.936   0.266  0.367  C2P  4CO 47  
4CO S1P  PS1  S 0 1 N N N 26.772 11.275 10.610 9.881   -0.850 1.441  S1P  4CO 48  
4CO O1B  BO1  O 0 1 N N N 24.969 9.327  8.707  11.839  -2.731 2.110  O1B  4CO 49  
4CO C1B  BC1  C 0 1 N N N 24.956 10.540 8.818  11.966  -2.513 0.924  C1B  4CO 50  
4CO C2B  BC2  C 0 1 Y N N 23.675 11.243 8.959  13.010  -3.205 0.157  C2B  4CO 51  
4CO C3B  BC3  C 0 1 Y N N 23.677 12.655 9.072  13.860  -4.118 0.794  C3B  4CO 52  
4CO C4B  BC4  C 0 1 Y N N 22.468 13.337 9.184  14.834  -4.762 0.073  C4B  4CO 53  
4CO C5B  BC5  C 0 1 Y N N 21.255 12.618 9.155  14.977  -4.509 -1.287 C5B  4CO 54  
4CO O2B  BO2  O 0 1 N N N 20.018 13.295 9.201  15.942  -5.149 -1.995 O2B  4CO 55  
4CO C6B  BC6  C 0 1 Y N N 21.269 11.198 9.066  14.135  -3.604 -1.924 C6B  4CO 56  
4CO C7B  BC7  C 0 1 Y N N 22.491 10.505 8.965  13.155  -2.959 -1.214 C7B  4CO 57  
4CO CB   BC   C 0 1 N N N 26.218 11.319 8.859  11.052  -1.531 0.236  CB   4CO 58  
4CO H2A  AH2  H 0 1 N N N 25.178 9.393  25.019 -8.270  -7.851 -1.297 H2A  4CO 59  
4CO H61A AH61 H 0 0 N N N 28.624 8.236  22.247 -3.324  -7.937 0.543  H61A 4CO 60  
4CO H62A AH62 H 0 0 N N N 29.649 9.529  22.107 -4.213  -9.316 0.181  H62A 4CO 61  
4CO H8A  AH8  H 0 1 N N N 28.031 14.059 21.542 -4.068  -3.166 0.370  H8A  4CO 62  
4CO H1D  AH1* H 0 1 N N N 24.744 13.562 23.638 -7.398  -3.133 -1.470 H1D  4CO 63  
4CO H2D  AH2* H 0 1 N N N 27.311 15.342 23.990 -6.999  -2.667 1.538  H2D  4CO 64  
4CO HO2A AHO2 H 0 0 N N N 26.634 15.192 26.140 -8.548  -4.214 0.755  HO2A 4CO 65  
4CO H3D  AH3* H 0 1 N N N 25.536 17.146 24.548 -7.774  -0.459 1.283  H3D  4CO 66  
4CO HOA8 8HOA H 0 0 N N N 22.793 18.660 25.777 -10.691 -1.448 2.022  HOA8 4CO 67  
4CO HOA9 9HOA H 0 0 N N N 21.193 16.796 26.078 ?       ?      ?      HOA9 4CO 68  
4CO H4D  AH4* H 0 1 N N N 24.016 16.441 22.311 -7.229  -0.299 -1.579 H4D  4CO 69  
4CO H51A AH51 H 0 0 N N N 25.540 18.274 22.088 -5.403  0.174  0.823  H51A 4CO 70  
4CO H52A AH52 H 0 0 N N N 25.442 17.328 20.707 -6.596  1.350  0.222  H52A 4CO 71  
4CO HOA2 2HOA H 0 0 N N N 28.317 19.608 23.610 ?       ?      ?      HOA2 4CO 72  
4CO HOA5 5HOA H 0 0 N N N 31.107 19.697 19.508 ?       ?      ?      HOA5 4CO 73  
4CO H121 1H12 H 0 0 N N N 27.538 17.830 18.298 0.491   4.422  0.013  H121 4CO 74  
4CO H122 2H12 H 0 0 N N N 27.885 16.409 19.099 -0.731  5.712  0.124  H122 4CO 75  
4CO H131 1H13 H 0 0 N N N 30.394 18.231 16.856 2.319   5.812  -2.871 H131 4CO 76  
4CO H132 2H13 H 0 0 N N N 30.035 17.227 15.351 2.120   4.404  -1.801 H132 4CO 77  
4CO H133 3H13 H 0 0 N N N 28.908 18.489 16.086 0.941   4.708  -3.100 H133 4CO 78  
4CO H141 1H14 H 0 0 N N N 26.991 16.429 16.237 -0.824  6.417  -2.815 H141 4CO 79  
4CO H142 2H14 H 0 0 N N N 28.306 15.370 15.483 -0.671  7.632  -1.523 H142 4CO 80  
4CO H143 3H14 H 0 0 N N N 27.416 15.022 17.066 0.509   7.596  -2.855 H143 4CO 81  
4CO H10  H10  H 0 1 N N N 31.001 16.379 17.807 2.382   7.401  -1.089 H10  4CO 82  
4CO HO1  HO1  H 0 1 N N N 30.617 14.096 18.545 0.302   7.157  0.840  HO1  4CO 83  
4CO HN8  HN8  H 0 1 N N N 30.080 12.940 17.123 3.680   5.211  -1.050 HN8  4CO 84  
4CO H71  1H7  H 0 1 N N N 30.977 11.781 15.065 4.691   4.817  1.557  H71  4CO 85  
4CO H72  2H7  H 0 1 N N N 31.320 13.291 14.370 3.550   3.500  1.193  H72  4CO 86  
4CO H61  1H6  H 0 1 N N N 28.859 13.733 13.832 4.831   2.958  -0.860 H61  4CO 87  
4CO H62  2H6  H 0 1 N N N 28.328 12.479 14.820 5.972   4.275  -0.496 H62  4CO 88  
4CO HN4  HN4  H 0 1 N N N 27.599 10.693 13.676 7.316   1.943  -0.621 HN4  4CO 89  
4CO H31  1H3  H 0 1 N N N 28.006 8.729  12.282 8.327   1.549  1.986  H31  4CO 90  
4CO H32  2H3  H 0 1 N N N 29.594 9.261  12.016 7.186   0.232  1.622  H32  4CO 91  
4CO H21  1H2  H 0 1 N N N 27.968 9.277  9.960  8.467   -0.310 -0.431 H21  4CO 92  
4CO H22  2H2  H 0 1 N N N 29.040 10.596 10.119 9.607   1.007  -0.067 H22  4CO 93  
4CO H3B  BH3  H 0 1 N N N 24.622 13.224 9.073  13.750  -4.314 1.850  H3B  4CO 94  
4CO H4B  BH4  H 0 1 N N N 22.471 14.435 9.295  15.490  -5.466 0.563  H4B  4CO 95  
4CO H2B  BH2  H 0 1 N N N 19.201 12.811 9.182  15.547  -5.965 -2.330 H2B  4CO 96  
4CO H6B  BH6  H 0 1 N N N 20.324 10.629 9.075  14.251  -3.411 -2.980 H6B  4CO 97  
4CO H7B  BH7  H 0 1 N N N 22.520 9.405  8.892  12.502  -2.257 -1.709 H7B  4CO 98  
4CO H1B  1BH  H 0 1 N N N 26.988 10.960 8.137  10.504  -2.040 -0.557 H1B  4CO 99  
4CO H2BX 2BH  H 0 0 N N N 26.120 12.350 8.447  11.644  -0.723 -0.192 H2BX 4CO 100 
# 
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 
4CO N1A C2A  DOUB Y N 1   
4CO N1A C6A  SING Y N 2   
4CO C2A N3A  SING Y N 3   
4CO C2A H2A  SING N N 4   
4CO N3A C4A  DOUB Y N 5   
4CO C4A C5A  SING Y N 6   
4CO C4A N9A  SING Y N 7   
4CO C5A C6A  DOUB Y N 8   
4CO C5A N7A  SING Y N 9   
4CO C6A N6A  SING N N 10  
4CO N6A H61A SING N N 11  
4CO N6A H62A SING N N 12  
4CO N7A C8A  DOUB Y N 13  
4CO C8A N9A  SING Y N 14  
4CO C8A H8A  SING N N 15  
4CO N9A C1D  SING N N 16  
4CO C1D C2D  SING N N 17  
4CO C1D O4D  SING N N 18  
4CO C1D H1D  SING N N 19  
4CO C2D O2D  SING N N 20  
4CO C2D C3D  SING N N 21  
4CO C2D H2D  SING N N 22  
4CO O2D HO2A SING N N 23  
4CO C3D O3D  SING N N 24  
4CO C3D C4D  SING N N 25  
4CO C3D H3D  SING N N 26  
4CO O3D P3D  SING N N 27  
4CO P3D O7A  DOUB N N 28  
4CO P3D O8A  SING N N 29  
4CO P3D O9A  SING N N 30  
4CO O8A HOA8 SING N N 31  
4CO O9A HOA9 SING N N 32  
4CO C4D O4D  SING N N 33  
4CO C4D C5D  SING N N 34  
4CO C4D H4D  SING N N 35  
4CO C5D O5D  SING N N 36  
4CO C5D H51A SING N N 37  
4CO C5D H52A SING N N 38  
4CO O5D P1A  SING N N 39  
4CO P1A O1A  DOUB N N 40  
4CO P1A O2A  SING N N 41  
4CO P1A O3A  SING N N 42  
4CO O2A HOA2 SING N N 43  
4CO O3A P2A  SING N N 44  
4CO P2A O4A  DOUB N N 45  
4CO P2A O5A  SING N N 46  
4CO P2A O6A  SING N N 47  
4CO O5A HOA5 SING N N 48  
4CO O6A CCP  SING N N 49  
4CO CBP CCP  SING N N 50  
4CO CBP CDP  SING N N 51  
4CO CBP CEP  SING N N 52  
4CO CBP CAP  SING N N 53  
4CO CCP H121 SING N N 54  
4CO CCP H122 SING N N 55  
4CO CDP H131 SING N N 56  
4CO CDP H132 SING N N 57  
4CO CDP H133 SING N N 58  
4CO CEP H141 SING N N 59  
4CO CEP H142 SING N N 60  
4CO CEP H143 SING N N 61  
4CO CAP OAP  SING N N 62  
4CO CAP C9P  SING N N 63  
4CO CAP H10  SING N N 64  
4CO OAP HO1  SING N N 65  
4CO C9P O9P  DOUB N N 66  
4CO C9P N8P  SING N N 67  
4CO N8P C7P  SING N N 68  
4CO N8P HN8  SING N N 69  
4CO C7P C6P  SING N N 70  
4CO C7P H71  SING N N 71  
4CO C7P H72  SING N N 72  
4CO C6P C5P  SING N N 73  
4CO C6P H61  SING N N 74  
4CO C6P H62  SING N N 75  
4CO C5P O5P  DOUB N N 76  
4CO C5P N4P  SING N N 77  
4CO N4P C3P  SING N N 78  
4CO N4P HN4  SING N N 79  
4CO C3P C2P  SING N N 80  
4CO C3P H31  SING N N 81  
4CO C3P H32  SING N N 82  
4CO C2P S1P  SING N N 83  
4CO C2P H21  SING N N 84  
4CO C2P H22  SING N N 85  
4CO S1P CB   SING N N 86  
4CO O1B C1B  DOUB N N 87  
4CO C1B C2B  SING N N 88  
4CO C1B CB   SING N N 89  
4CO C2B C3B  DOUB Y N 90  
4CO C2B C7B  SING Y N 91  
4CO C3B C4B  SING Y N 92  
4CO C3B H3B  SING N N 93  
4CO C4B C5B  DOUB Y N 94  
4CO C4B H4B  SING N N 95  
4CO C5B O2B  SING N N 96  
4CO C5B C6B  SING Y N 97  
4CO O2B H2B  SING N N 98  
4CO C6B C7B  DOUB Y N 99  
4CO C6B H6B  SING N N 100 
4CO C7B H7B  SING N N 101 
4CO CB  H1B  SING N N 102 
4CO CB  H2BX SING N N 103 
# 
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 
4CO SMILES           ACDLabs              10.04 O=C(c1ccc(O)cc1)CSCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC4OC(n3cnc2c(ncnc23)N)C(O)C4OP(=O)(O)O 
4CO InChI            InChI                1.02b 
;InChI=1/C29H42N7O18P3S/c1-29(2,24(41)27(42)32-8-7-20(39)31-9-10-58-12-18(38)16-3-5-17(37)6-4-16)13-51-57(48,49)54-56(46,47)50-11-19-23(53-55(43,44)45)22(40)28(52-19)36-15-35-21-25(30)33-14-34-26(21)36/h3-6,14-15,19,22-24,28,37,40-41H,7-13H2,1-2H3,(H,31,39)(H,32,42)(H,46,47)(H,48,49)(H2,30,33,34)(H2,43,44,45)/t19-,22-,23-,24+,28-/m1/s1/f/h31-32,43-44,46,48H,30H2
;
4CO InChIKey         InChI                1.02b ZQLMPRRTUJBILA-CZEKQIIPDZ 
4CO SMILES_CANONICAL CACTVS               3.341 CC(C)(CO[P@@](O)(=O)O[P@](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[C@@H](O)C(=O)NCCC(=O)NCCSCC(=O)c4ccc(O)cc4 
4CO SMILES           CACTVS               3.341 CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(=O)NCCSCC(=O)c4ccc(O)cc4 
4CO SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)c4ccc(cc4)O)O 
4CO SMILES           "OpenEye OEToolkits" 1.5.0 CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSCC(=O)c4ccc(cc4)O)O 
# 
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 
4CO "SYSTEMATIC NAME" ACDLabs              10.04 
;[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R)-3-hydroxy-4-({3-[(2-{[2-(4-hydroxyphenyl)-2-oxoethyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl dihydrogen diphosphate (non-preferred name)
;
4CO "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 
"[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-oxolan-2-yl]methyl [hydroxy-[(3R)-3-hydroxy-4-[[3-[2-[2-(4-hydroxyphenyl)-2-oxo-ethyl]sulfanylethylamino]-3-oxo-propyl]amino]-2,2-dimethyl-4-oxo-butoxy]phosphoryl] hydrogen phosphate" 
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