data_CO8 # _chem_comp.id CO8 _chem_comp.name "OCTANOYL-COENZYME A" _chem_comp.type NON-POLYMER _chem_comp.pdbx_type HETAC _chem_comp.formula "C29 H50 N7 O17 P3 S" _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 893.730 _chem_comp.one_letter_code ? _chem_comp.three_letter_code CO8 _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 2DUB _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 CO8 N1A AN1 N 0 1 Y N N 96.449 119.800 148.849 2.448 -4.778 -12.276 N1A CO8 1 CO8 C2A AC2 C 0 1 Y N N 97.606 120.465 148.914 3.215 -3.718 -12.099 C2A CO8 2 CO8 N3A AN3 N 0 1 Y N N 97.791 121.784 149.048 2.921 -2.770 -11.234 N3A CO8 3 CO8 C4A AC4 C 0 1 Y N N 96.574 122.478 149.122 1.817 -2.844 -10.497 C4A CO8 4 CO8 C5A AC5 C 0 1 Y N N 95.315 121.910 149.064 0.971 -3.956 -10.645 C5A CO8 5 CO8 C6A AC6 C 0 1 Y N N 95.268 120.492 148.921 1.327 -4.942 -11.581 C6A CO8 6 CO8 N6A AN6 N 0 1 N N N 94.123 119.817 148.859 0.530 -6.056 -11.774 N6A CO8 7 CO8 N7A AN7 N 0 1 Y N N 94.330 122.859 149.162 -0.061 -3.788 -9.785 N7A CO8 8 CO8 C8A AC8 C 0 1 Y N N 94.991 123.995 149.277 0.095 -2.674 -9.131 C8A CO8 9 CO8 N9A AN9 N 0 1 Y N N 96.370 123.841 149.263 1.242 -2.056 -9.532 N9A CO8 10 CO8 C1B AC1* C 0 1 N N R 97.425 124.882 149.414 1.761 -0.782 -9.030 C1B CO8 11 CO8 C2B AC2* C 0 1 N N R 97.559 125.654 148.077 1.131 0.408 -9.797 C2B CO8 12 CO8 O2B AO2* O 0 1 N N N 98.382 124.928 147.129 1.864 0.691 -10.990 O2B CO8 13 CO8 C3B AC3* C 0 1 N N S 98.273 126.954 148.527 1.273 1.565 -8.773 C3B CO8 14 CO8 O3B AO3* O 0 1 N N N 99.679 126.700 148.786 2.425 2.356 -9.069 O3B CO8 15 CO8 P3B AP3* P 0 1 N N N 100.744 127.335 147.867 1.907 3.861 -9.311 P3B CO8 16 CO8 O7A AO7 O 0 1 N N N 101.104 126.320 146.762 1.232 4.353 -8.088 O7A CO8 17 CO8 O8A AO8 O 0 1 N N N 100.202 128.662 147.248 3.161 4.812 -9.651 O8A CO8 18 CO8 O9A AO9 O 0 1 N N N 102.007 127.629 148.707 0.869 3.881 -10.541 O9A CO8 19 CO8 C4B AC4* C 0 1 N N R 97.562 127.171 149.880 1.435 0.848 -7.419 C4B CO8 20 CO8 O4B AO4* O 0 1 N N N 97.048 125.915 150.351 1.342 -0.564 -7.666 O4B CO8 21 CO8 C5B AC5* C 0 1 N N N 96.432 128.182 149.721 0.322 1.283 -6.463 C5B CO8 22 CO8 O5B AO5* O 0 1 N N N 95.382 127.716 148.882 0.477 0.609 -5.213 O5B CO8 23 CO8 P1A AP1 P 0 1 N N R 94.750 128.637 147.817 -0.719 1.111 -4.262 P1A CO8 24 CO8 O1A AO1 O 0 1 N N N 95.760 129.724 147.362 -0.625 2.577 -4.082 O1A CO8 25 CO8 O2A AO2 O 0 1 N N N 94.323 127.775 146.603 -2.133 0.744 -4.938 O2A CO8 26 CO8 O3A AO3 O 0 1 N N N 93.528 129.333 148.440 -0.606 0.387 -2.828 O3A CO8 27 CO8 P2A AP2 P 0 1 N N S 92.292 129.925 147.734 -1.827 0.933 -1.933 P2A CO8 28 CO8 O4A AO4 O 0 1 N N N 91.514 130.837 148.739 -1.716 2.402 -1.789 O4A CO8 29 CO8 O5A AO5 O 0 1 N N N 92.741 130.759 146.505 -3.223 0.569 -2.649 O5A CO8 30 CO8 O6A AO6 O 0 1 N N N 91.380 128.763 147.269 -1.775 0.246 -0.478 O6A CO8 31 CO8 CBP PC11 C 0 1 N N N 90.331 126.550 147.725 -2.887 0.153 1.665 CBP CO8 32 CO8 CCP PC12 C 0 1 N N N 90.737 127.929 148.247 -2.878 0.769 0.265 CCP CO8 33 CO8 CDP PC13 C 0 1 N N N 89.142 126.744 146.766 -1.580 0.498 2.382 CDP CO8 34 CO8 CEP PC14 C 0 1 N N N 89.902 125.670 148.917 -3.022 -1.366 1.554 CEP CO8 35 CO8 CAP PC10 C 0 1 N N R 91.549 125.923 146.988 -4.068 0.713 2.461 CAP CO8 36 CO8 OAP PO10 O 0 1 N N N 92.692 125.847 147.863 -5.279 0.492 1.735 OAP CO8 37 CO8 C9P PC9 C 0 1 N N N 91.347 124.488 146.451 -4.149 0.018 3.796 C9P CO8 38 CO8 O9P PO9 O 0 1 N N N 90.516 124.254 145.565 -5.015 -0.807 3.998 O9P CO8 39 CO8 N8P PN8 N 0 1 N N N 92.187 123.478 146.992 -3.260 0.313 4.764 N8P CO8 40 CO8 C7P PC7 C 0 1 N N N 92.177 122.128 146.558 -3.326 -0.376 6.055 C7P CO8 41 CO8 C6P PC6 C 0 1 N N N 90.885 121.423 146.915 -2.212 0.140 6.968 C6P CO8 42 CO8 C5P PC5 C 0 1 N N N 90.811 120.032 146.336 -2.281 -0.569 8.295 C5P CO8 43 CO8 O5P PO5 O 0 1 N N N 90.916 119.816 145.118 -3.136 -1.406 8.492 O5P CO8 44 CO8 N4P PN4 N 0 1 N N N 90.600 119.032 147.339 -1.392 -0.274 9.264 N4P CO8 45 CO8 C3P PC3 C 0 1 N N N 90.473 117.653 147.037 -1.458 -0.964 10.554 C3P CO8 46 CO8 C2P PC2 C 0 1 N N N 91.493 116.826 147.791 -0.344 -0.447 11.467 C2P CO8 47 CO8 S1P PS1 S 0 1 N N N 91.765 115.152 147.095 -0.427 -1.299 13.062 S1P CO8 48 CO8 "C1'" C1* C 0 1 N N N 91.001 114.031 148.256 0.888 -0.554 13.865 "C1'" CO8 49 CO8 "O1'" O1* O 0 1 N N N 90.837 114.441 149.405 1.545 0.292 13.297 "O1'" CO8 50 CO8 "C2'" C2* C 0 1 N N N 90.776 112.566 147.945 1.230 -0.951 15.278 "C2'" CO8 51 CO8 "C3'" C3* C 0 1 N N N 90.024 111.646 148.882 2.436 -0.141 15.757 "C3'" CO8 52 CO8 "C4'" C4* C 0 1 N N N 90.650 110.940 150.057 2.784 -0.544 17.192 "C4'" CO8 53 CO8 "C5'" C5* C 0 1 N N N 91.752 109.907 149.962 3.990 0.265 17.671 "C5'" CO8 54 CO8 "C6'" C6* C 0 1 N N N 92.700 109.563 151.092 4.337 -0.136 19.106 "C6'" CO8 55 CO8 "C7'" C7* C 0 1 N N N 93.629 108.367 151.112 5.544 0.672 19.585 "C7'" CO8 56 CO8 "C8'" C8* C 0 1 N N N 92.946 107.154 151.667 5.891 0.270 21.020 "C8'" CO8 57 CO8 H2A AH2 H 0 1 N N N 98.519 119.850 148.849 4.117 -3.625 -12.685 H2A CO8 58 CO8 H61A AH61 H 0 0 N N N 93.244 120.331 148.912 0.787 -6.730 -12.423 H61A CO8 59 CO8 H62A AH62 H 0 0 N N N 94.126 119.095 149.580 -0.285 -6.164 -11.260 H62A CO8 60 CO8 H8A AH8 H 0 1 N N N 94.456 124.955 149.373 -0.582 -2.295 -8.381 H8A CO8 61 CO8 H1B AH1* H 0 1 N N N 98.345 124.345 149.743 2.848 -0.755 -9.107 H1B CO8 62 CO8 H2B AH2* H 0 1 N N N 96.584 125.819 147.560 0.083 0.213 -10.023 H2B CO8 63 CO8 HO2A AHO2 H 0 0 N N N 98.464 125.401 146.309 1.813 -0.099 -11.544 HO2A CO8 64 CO8 H3B AH3* H 0 1 N N N 98.227 127.792 147.793 0.376 2.185 -8.772 H3B CO8 65 CO8 HOA8 8HOA H 0 0 N N N 100.857 129.052 146.682 2.807 5.702 -9.788 HOA8 CO8 66 CO8 HOA9 9HOA H 0 0 N N N 102.662 128.019 148.141 1.347 3.554 -11.316 HOA9 CO8 67 CO8 H4B AH4* H 0 1 N N N 98.289 127.571 150.623 2.408 1.086 -6.988 H4B CO8 68 CO8 H51A AH51 H 0 0 N N N 96.036 128.496 150.715 -0.645 1.032 -6.895 H51A CO8 69 CO8 H52A AH52 H 0 0 N N N 96.823 129.162 149.361 0.381 2.360 -6.304 H52A CO8 70 CO8 HOA2 2HOA H 0 0 N N N 93.934 128.341 145.947 -2.154 -0.217 -5.037 HOA2 CO8 71 CO8 HOA5 5HOA H 0 0 N N N 91.979 131.123 146.069 -3.255 -0.394 -2.723 HOA5 CO8 72 CO8 H121 1H12 H 0 0 N N N 91.375 127.829 149.155 -3.809 0.523 -0.245 H121 CO8 73 CO8 H122 2H12 H 0 0 N N N 89.857 128.453 148.689 -2.783 1.852 0.344 H122 CO8 74 CO8 H131 1H13 H 0 0 N N N 88.846 125.738 146.385 -1.546 1.570 2.579 H131 CO8 75 CO8 H132 2H13 H 0 0 N N N 88.294 127.297 147.233 -1.528 -0.045 3.325 H132 CO8 76 CO8 H133 3H13 H 0 0 N N N 89.358 127.470 145.948 -0.736 0.217 1.753 H133 CO8 77 CO8 H141 1H14 H 0 0 N N N 89.606 124.664 148.536 -3.953 -1.611 1.043 H141 CO8 78 CO8 H142 2H14 H 0 0 N N N 90.687 125.611 149.706 -2.180 -1.764 0.987 H142 CO8 79 CO8 H143 3H14 H 0 0 N N N 89.100 126.145 149.529 -3.028 -1.804 2.551 H143 CO8 80 CO8 H10 H10 H 0 1 N N N 91.692 126.607 146.119 -3.927 1.783 2.616 H10 CO8 81 CO8 HO1 HO1 H 0 1 N N N 93.435 125.464 147.412 -5.365 -0.463 1.619 HO1 CO8 82 CO8 HN8 HN8 H 0 1 N N N 92.835 123.737 147.735 -2.576 0.982 4.607 HN8 CO8 83 CO8 H71 1H7 H 0 1 N N N 92.389 122.053 145.465 -3.202 -1.448 5.901 H71 CO8 84 CO8 H72 2H7 H 0 1 N N N 93.061 121.572 146.948 -4.294 -0.186 6.519 H72 CO8 85 CO8 H61 1H6 H 0 1 N N N 90.726 121.408 148.018 -2.337 1.212 7.122 H61 CO8 86 CO8 H62 2H6 H 0 1 N N N 89.999 122.030 146.615 -1.245 -0.049 6.503 H62 CO8 87 CO8 HN4 HN4 H 0 1 N N N 90.537 119.315 148.316 -0.707 0.395 9.106 HN4 CO8 88 CO8 H31 1H3 H 0 1 N N N 89.435 117.288 147.220 -1.334 -2.036 10.400 H31 CO8 89 CO8 H32 2H3 H 0 1 N N N 90.528 117.468 145.938 -2.426 -0.774 11.019 H32 CO8 90 CO8 H21 1H2 H 0 1 N N N 92.459 117.376 147.871 -0.469 0.624 11.621 H21 CO8 91 CO8 H22 2H2 H 0 1 N N N 91.221 116.760 148.870 0.622 -0.637 11.003 H22 CO8 92 CO8 "H2'1" 1H2* H 0 0 N N N 90.285 112.504 146.945 1.470 -2.014 15.310 "H2'1" CO8 93 CO8 "H2'2" 2H2* H 0 0 N N N 91.772 112.105 147.747 0.377 -0.752 15.928 "H2'2" CO8 94 CO8 "H3'1" 1H3* H 0 0 N N N 89.152 112.220 149.273 2.196 0.921 15.726 "H3'1" CO8 95 CO8 "H3'2" 2H3* H 0 0 N N N 89.538 110.864 148.252 3.289 -0.340 15.108 "H3'2" CO8 96 CO8 "H4'1" 1H4* H 0 0 N N N 91.012 111.732 150.752 3.024 -1.606 17.223 "H4'1" CO8 97 CO8 "H4'2" 2H4* H 0 0 N N N 89.817 110.469 150.629 1.931 -0.344 17.842 "H4'2" CO8 98 CO8 "H5'1" 1H5* H 0 0 N N N 91.276 108.953 149.635 3.750 1.328 17.640 "H5'1" CO8 99 CO8 "H5'2" 2H5* H 0 0 N N N 92.380 110.181 149.082 4.842 0.066 17.022 "H5'2" CO8 100 CO8 "H6'1" 1H6* H 0 0 N N N 93.333 110.464 151.265 4.577 -1.199 19.137 "H6'1" CO8 101 CO8 "H6'2" 2H6* H 0 0 N N N 92.085 109.508 152.021 3.485 0.062 19.756 "H6'2" CO8 102 CO8 "H7'1" 1H7* H 0 0 N N N 94.060 108.167 150.103 5.304 1.735 19.554 "H7'1" CO8 103 CO8 "H7'2" 2H7* H 0 0 N N N 94.572 108.591 151.661 6.396 0.473 18.936 "H7'2" CO8 104 CO8 "H8'1" 1H8* H 0 0 N N N 93.629 106.273 151.681 6.750 0.847 21.361 "H8'1" CO8 105 CO8 "H8'2" 2H8* H 0 0 N N N 92.514 107.353 152.675 5.039 0.469 21.669 "H8'2" CO8 106 CO8 "H8'3" 3H8* H 0 0 N N N 92.002 106.929 151.117 6.131 -0.792 21.051 "H8'3" CO8 107 # 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 CO8 N1A C2A SING Y N 1 CO8 N1A C6A DOUB Y N 2 CO8 C2A N3A DOUB Y N 3 CO8 C2A H2A SING N N 4 CO8 N3A C4A SING Y N 5 CO8 C4A C5A DOUB Y N 6 CO8 C4A N9A SING Y N 7 CO8 C5A C6A SING Y N 8 CO8 C5A N7A SING Y N 9 CO8 C6A N6A SING N N 10 CO8 N6A H61A SING N N 11 CO8 N6A H62A SING N N 12 CO8 N7A C8A DOUB Y N 13 CO8 C8A N9A SING Y N 14 CO8 C8A H8A SING N N 15 CO8 N9A C1B SING N N 16 CO8 C1B C2B SING N N 17 CO8 C1B O4B SING N N 18 CO8 C1B H1B SING N N 19 CO8 C2B O2B SING N N 20 CO8 C2B C3B SING N N 21 CO8 C2B H2B SING N N 22 CO8 O2B HO2A SING N N 23 CO8 C3B O3B SING N N 24 CO8 C3B C4B SING N N 25 CO8 C3B H3B SING N N 26 CO8 O3B P3B SING N N 27 CO8 P3B O7A DOUB N N 28 CO8 P3B O8A SING N N 29 CO8 P3B O9A SING N N 30 CO8 O8A HOA8 SING N N 31 CO8 O9A HOA9 SING N N 32 CO8 C4B O4B SING N N 33 CO8 C4B C5B SING N N 34 CO8 C4B H4B SING N N 35 CO8 C5B O5B SING N N 36 CO8 C5B H51A SING N N 37 CO8 C5B H52A SING N N 38 CO8 O5B P1A SING N N 39 CO8 P1A O1A DOUB N N 40 CO8 P1A O2A SING N N 41 CO8 P1A O3A SING N N 42 CO8 O2A HOA2 SING N N 43 CO8 O3A P2A SING N N 44 CO8 P2A O4A DOUB N N 45 CO8 P2A O5A SING N N 46 CO8 P2A O6A SING N N 47 CO8 O5A HOA5 SING N N 48 CO8 O6A CCP SING N N 49 CO8 CBP CCP SING N N 50 CO8 CBP CDP SING N N 51 CO8 CBP CEP SING N N 52 CO8 CBP CAP SING N N 53 CO8 CCP H121 SING N N 54 CO8 CCP H122 SING N N 55 CO8 CDP H131 SING N N 56 CO8 CDP H132 SING N N 57 CO8 CDP H133 SING N N 58 CO8 CEP H141 SING N N 59 CO8 CEP H142 SING N N 60 CO8 CEP H143 SING N N 61 CO8 CAP OAP SING N N 62 CO8 CAP C9P SING N N 63 CO8 CAP H10 SING N N 64 CO8 OAP HO1 SING N N 65 CO8 C9P O9P DOUB N N 66 CO8 C9P N8P SING N N 67 CO8 N8P C7P SING N N 68 CO8 N8P HN8 SING N N 69 CO8 C7P C6P SING N N 70 CO8 C7P H71 SING N N 71 CO8 C7P H72 SING N N 72 CO8 C6P C5P SING N N 73 CO8 C6P H61 SING N N 74 CO8 C6P H62 SING N N 75 CO8 C5P O5P DOUB N N 76 CO8 C5P N4P SING N N 77 CO8 N4P C3P SING N N 78 CO8 N4P HN4 SING N N 79 CO8 C3P C2P SING N N 80 CO8 C3P H31 SING N N 81 CO8 C3P H32 SING N N 82 CO8 C2P S1P SING N N 83 CO8 C2P H21 SING N N 84 CO8 C2P H22 SING N N 85 CO8 S1P "C1'" SING N N 86 CO8 "C1'" "O1'" DOUB N N 87 CO8 "C1'" "C2'" SING N N 88 CO8 "C2'" "C3'" SING N N 89 CO8 "C2'" "H2'1" SING N N 90 CO8 "C2'" "H2'2" SING N N 91 CO8 "C3'" "C4'" SING N N 92 CO8 "C3'" "H3'1" SING N N 93 CO8 "C3'" "H3'2" SING N N 94 CO8 "C4'" "C5'" SING N N 95 CO8 "C4'" "H4'1" SING N N 96 CO8 "C4'" "H4'2" SING N N 97 CO8 "C5'" "C6'" SING N N 98 CO8 "C5'" "H5'1" SING N N 99 CO8 "C5'" "H5'2" SING N N 100 CO8 "C6'" "C7'" SING N N 101 CO8 "C6'" "H6'1" SING N N 102 CO8 "C6'" "H6'2" SING N N 103 CO8 "C7'" "C8'" SING N N 104 CO8 "C7'" "H7'1" SING N N 105 CO8 "C7'" "H7'2" SING N N 106 CO8 "C8'" "H8'1" SING N N 107 CO8 "C8'" "H8'2" SING N N 108 CO8 "C8'" "H8'3" SING N N 109 # 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 CO8 SMILES ACDLabs 10.04 "O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)CCCCCCC" CO8 SMILES_CANONICAL CACTVS 3.341 "CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(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" CO8 SMILES CACTVS 3.341 "CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23" CO8 SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 "CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(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)O" CO8 SMILES "OpenEye OEToolkits" 1.5.0 "CCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O" CO8 InChI InChI 1.03 ;InChI=1S/C29H50N7O17P3S/c1-4-5-6-7-8-9-20(38)57-13-12-31-19(37)10-11-32-27(41)24(40)29(2,3)15-50-56(47,48)53-55(45,46)49-14-18-23(52-54(42,43)44)22(39)28(51-18)36-17-35-21-25(30)33-16-34-26(21)36/h16-18,22-24,28,39-40H,4-15H2,1-3H3,(H,31,37)(H,32,41)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44)/t18-,22-,23-,24+,28-/m1/s1 ; CO8 InChIKey InChI 1.03 KQMZYOXOBSXMII-CECATXLMSA-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 CO8 "SYSTEMATIC NAME" ACDLabs 10.04 ;S-{(9R,13S,15R)-17-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-9,13,15-trihydroxy-10,10-dimethyl-13,15-dioxido-4,8-dioxo-12,14,16-trioxa-3,7-diaza-13,15-diphosphaheptadec-1-yl} octanethioate (non-preferred name) ; CO8 "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 "S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethyl] octanethioate" # loop_ _pdbx_chem_comp_audit.comp_id _pdbx_chem_comp_audit.action_type _pdbx_chem_comp_audit.date _pdbx_chem_comp_audit.processing_site CO8 "Create component" 1999-07-08 RCSB CO8 "Modify descriptor" 2011-06-04 RCSB #