data_CO6
#

_chem_comp.id                                   CO6
_chem_comp.name                                 "ISOBUTYRYL-COENZYME A"
_chem_comp.type                                 NON-POLYMER
_chem_comp.pdbx_type                            HETAIN
_chem_comp.formula                              "C25 H42 N7 O17 P3 S"
_chem_comp.mon_nstd_parent_comp_id              ?
_chem_comp.pdbx_synonyms                        IB-CO6
_chem_comp.pdbx_formal_charge                   0
_chem_comp.pdbx_initial_date                    2006-10-11
_chem_comp.pdbx_modified_date                   2021-03-01
_chem_comp.pdbx_ambiguous_flag                  ?
_chem_comp.pdbx_release_status                  REL
_chem_comp.pdbx_replaced_by                     ?
_chem_comp.pdbx_replaces                        ?
_chem_comp.formula_weight                       837.624
_chem_comp.one_letter_code                      ?
_chem_comp.three_letter_code                    CO6
_chem_comp.pdbx_model_coordinates_details       ?
_chem_comp.pdbx_model_coordinates_missing_flag  Y
_chem_comp.pdbx_ideal_coordinates_details       ?
_chem_comp.pdbx_ideal_coordinates_missing_flag  N
_chem_comp.pdbx_model_coordinates_db_code       ?
_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
CO6  N1A     AN1   N  0  1  Y  N  N  25.769  44.761   6.827  11.180   1.187  -7.737  N1A     CO6   1  
CO6  C2A     AC2   C  0  1  Y  N  N  26.313  43.686   7.379  11.845   2.345  -7.506  C2A     CO6   2  
CO6  N3A     AN3   N  0  1  Y  N  N  27.346  43.719   8.216  11.601   3.289  -6.571  N3A     CO6   3  
CO6  C4A     AC4   C  0  1  Y  N  N  27.878  44.938   8.502  10.542   2.946  -5.823  C4A     CO6   4  
CO6  C5A     AC5   C  0  1  Y  N  N  27.424  46.085   8.008   9.768   1.803  -5.940  C5A     CO6   5  
CO6  C6A     AC6   C  0  1  Y  N  N  26.285  45.976   7.097  10.120   0.905  -6.942  C6A     CO6   6  
CO6  N6A     AN6   N  0  1  N  N  N  25.806  47.059   6.578   9.390  -0.281  -7.132  N6A     CO6   7  
CO6  N7A     AN7   N  0  1  Y  N  N  28.124  47.169   8.459   8.769   1.795  -4.999  N7A     CO6   8  
CO6  C8A     AC8   C  0  1  Y  N  N  29.049  46.672   9.282   8.933   2.912  -4.323  C8A     CO6   9  
CO6  N9A     AN9   N  0  1  Y  N  N  28.881  45.366   9.302   9.995   3.646  -4.784  N9A     CO6  10  
CO6  C1B     AC1*  C  0  1  N  N  R  29.548  44.329  10.088  10.449   4.933  -4.255  C1B     CO6  11  
CO6  C2B     AC2*  C  0  1  N  N  R  30.856  44.666  10.704   9.729   6.136  -4.866  C2B     CO6  12  
CO6  O2B     AO2*  O  0  1  N  N  N  31.657  43.447  10.473  10.676   7.172  -5.120  O2B     CO6  13  
CO6  C3B     AC3*  C  0  1  N  N  S  30.543  44.704  12.224   8.755   6.537  -3.774  C3B     CO6  14  
CO6  O3B     AO3*  O  0  1  N  N  N  31.673  44.372  12.983   8.398   7.902  -3.813  O3B     CO6  15  
CO6  P3B     AP3*  P  0  1  N  N  N  32.654  45.581  13.556   7.679   8.463  -5.144  P3B     CO6  16  
CO6  O7A     AO7   O  0  1  N  N  N  33.625  44.766  14.353   8.480   8.330  -6.406  O7A     CO6  17  
CO6  O8A     AO8   O  0  1  N  N  N  31.834  46.569  14.391   7.259   9.974  -4.749  O8A     CO6  18  
CO6  O9A     AO9   O  0  1  N  N  N  33.254  46.235  12.344   6.269   7.672  -5.143  O9A     CO6  19  
CO6  C4B     AC4*  C  0  1  N  N  R  29.399  43.677  12.371   9.522   6.182  -2.512  C4B     CO6  20  
CO6  O4B     AO4*  O  0  1  N  N  N  28.650  43.853  11.149  10.229   4.971  -2.828  O4B     CO6  21  
CO6  C5B     AC5*  C  0  1  N  N  N  28.398  43.960  13.496   8.630   5.956  -1.305  C5B     CO6  22  
CO6  O5B     AO5*  O  0  1  N  N  N  28.116  45.371  13.501   7.905   7.144  -1.038  O5B     CO6  23  
CO6  P1A     AP1   P  0  1  N  N  S  27.340  46.011  14.764   6.435   7.061  -0.365  P1A     CO6  24  
CO6  O1A     AO1   O  0  1  N  N  N  28.015  45.629  16.086   5.767   8.385  -0.130  O1A     CO6  25  
CO6  O2A     AO2   O  0  1  N  N  N  27.140  47.425  14.480   5.603   6.053  -1.317  O2A     CO6  26  
CO6  O3A     AO3   O  0  1  N  N  N  25.969  45.201  14.732   6.699   6.193   0.973  O3A     CO6  27  
CO6  P2A     AP2   P  0  1  N  N  R  24.547  45.608  14.120   7.563   6.522   2.299  P2A     CO6  28  
CO6  O4A     AO4   O  0  1  N  N  N  23.828  46.622  14.995   9.023   6.773   2.059  O4A     CO6  29  
CO6  O5A     AO5   O  0  1  N  N  N  24.732  45.958  12.632   6.761   7.753   2.975  O5A     CO6  30  
CO6  O6A     AO6   O  0  1  N  N  N  23.756  44.256  14.172   7.200   5.250   3.225  O6A     CO6  31  
CO6  CBP     PC11  C  0  1  N  N  N  23.340  41.939  13.540   5.671   3.723   4.382  CBP     CO6  32  
CO6  CCP     PC12  C  0  1  N  N  N  24.375  42.969  14.038   5.827   4.972   3.480  CCP     CO6  33  
CO6  CDP     PC13  C  0  1  N  N  N  23.948  40.521  13.620   6.403   3.980   5.721  CDP     CO6  34  
CO6  CEP     PC14  C  0  1  N  N  N  22.130  41.999  14.525   4.181   3.497   4.705  CEP     CO6  35  
CO6  CAP     PC10  C  0  1  N  N  R  22.875  42.264  12.115   6.294   2.463   3.710  CAP     CO6  36  
CO6  OAP     PO10  O  0  1  N  N  N  23.999  42.084  11.218   6.129   1.334   4.563  OAP     CO6  37  
CO6  C9P     PC9   C  0  1  N  N  N  21.710  41.433  11.612   5.664   2.090   2.370  C9P     CO6  38  
CO6  O9P     PO9   O  0  1  N  N  N  20.572  41.823  11.800   4.666   1.376   2.290  O9P     CO6  39  
CO6  N8P     PN8   N  0  1  N  N  N  22.006  40.286  10.885   6.322   2.659   1.291  N8P     CO6  40  
CO6  C7P     PC7   C  0  1  N  N  N  20.943  39.512  10.315   5.897   2.473  -0.077  C7P     CO6  41  
CO6  C6P     PC6   C  0  1  N  N  N  20.213  38.573  11.335   6.581   1.247  -0.667  C6P     CO6  42  
CO6  C5P     PC5   C  0  1  N  N  N  21.077  37.732  12.177   6.189   1.003  -2.113  C5P     CO6  43  
CO6  O5P     PO5   O  0  1  N  N  N  21.928  37.060  11.671   5.404   1.720  -2.727  O5P     CO6  44  
CO6  N4P     PN4   N  0  1  N  N  N  20.876  37.869  13.543   6.824  -0.117  -2.631  N4P     CO6  45  
CO6  C3P     PC3   C  0  1  N  N  N  21.835  37.491  14.583   6.624  -0.574  -3.987  C3P     CO6  46  
CO6  C2P     PC2   C  0  1  N  N  N  21.635  36.107  14.958   5.475  -1.564  -4.118  C2P     CO6  47  
CO6  S1P     PS1   S  0  1  N  N  N  23.006  35.535  16.044   5.756  -3.076  -3.148  S1P     CO6  48  
CO6  O1      O1    O  0  1  N  N  N       ?       ?       ?   3.454  -3.566  -4.342  O1      CO6  49  
CO6  C1      C1    C  0  1  N  N  N       ?       ?       ?   4.318  -4.001  -3.590  C1      CO6  50  
CO6  C2      C2    C  0  1  N  N  N       ?       ?       ?   3.538  -5.239  -1.578  C2      CO6  51  
CO6  C3      C3    C  0  1  N  N  N       ?       ?       ?   4.241  -5.368  -2.925  C3      CO6  52  
CO6  C4      C4    C  0  1  N  N  N       ?       ?       ?   3.504  -6.351  -3.833  C4      CO6  53  
CO6  H2      H2    H  0  1  N  N  N  25.891  42.723   7.134  12.688   2.539  -8.160  H2      CO6  54  
CO6  HN61    1HN6  H  0  0  N  N  N  25.682  47.746   7.294   9.401  -0.986  -6.420  HN61    CO6  55  
CO6  HN62    2HN6  H  0  0  N  N  N  26.441  47.407   5.888   8.945  -0.449  -8.014  HN62    CO6  56  
CO6  H8      H8    H  0  1  N  N  N  29.793  47.233   9.827   8.319   3.243  -3.495  H8      CO6  57  
CO6  "H1'"   H1*   H  0  1  N  N  N  29.782  43.561   9.336  11.529   4.953  -4.436  "H1'"   CO6  58  
CO6  "H2'"   H2*   H  0  1  N  N  N  31.339  45.585  10.340   9.230   5.921  -5.816  "H2'"   CO6  59  
CO6  H1      H1    H  0  1  N  N  N  31.829  43.352   9.544  10.176   7.959  -5.399  H1      CO6  60  
CO6  "H3'"   H3*   H  0  1  N  N  N  30.256  45.700  12.592   7.847   5.927  -3.850  "H3'"   CO6  61  
CO6  HO8     HO8   H  0  1  N  N  N  31.664  46.196  15.248   6.854  10.548  -5.434  HO8     CO6  62  
CO6  HO9     HO9   H  0  1  N  N  N  33.381  47.161  12.513   5.670   7.769  -5.914  HO9     CO6  63  
CO6  "H4'"   H4*   H  0  1  N  N  N  29.837  42.690  12.581  10.259   6.956  -2.264  "H4'"   CO6  64  
CO6  "H5'1"  1H5*  H  0  0  N  N  N  27.471  43.393  13.324   9.230   5.704  -0.426  "H5'1"  CO6  65  
CO6  "H5'2"  2H5*  H  0  0  N  N  N  28.819  43.653  14.465   7.920   5.146  -1.498  "H5'2"  CO6  66  
CO6  HO2     HO2   H  0  1  N  N  N  27.096  47.909  15.296   4.643   5.932  -1.155  HO2     CO6  67  
CO6  HO5     HO5   H  0  1  N  N  N  24.770  46.902  12.531   6.867   8.653   2.599  HO5     CO6  68  
CO6  H121    1H12  H  0  0  N  N  N  25.200  43.035  13.314   5.396   5.858   3.959  H121    CO6  69  
CO6  H122    2H12  H  0  0  N  N  N  24.763  42.649  15.016   5.330   4.827   2.516  H122    CO6  70  
CO6  H131    1H13  H  0  0  N  N  N  24.093  40.126  12.604   6.360   3.095   6.367  H131    CO6  71  
CO6  H132    2H13  H  0  0  N  N  N  24.918  40.567  14.137   5.952   4.811   6.275  H132    CO6  72  
CO6  H133    3H13  H  0  0  N  N  N  23.266  39.861  14.176   7.458   4.227   5.561  H133    CO6  73  
CO6  H141    1H14  H  0  0  N  N  N  22.500  42.013  15.561   3.770   4.317   5.305  H141    CO6  74  
CO6  H142    2H14  H  0  0  N  N  N  21.545  42.911  14.332   4.037   2.573   5.275  H142    CO6  75  
CO6  H143    3H14  H  0  0  N  N  N  21.492  41.115  14.376   3.576   3.433   3.794  H143    CO6  76  
CO6  H10     H10   H  0  1  N  N  N  22.510  43.301  12.140   7.373   2.609   3.574  H10     CO6  77  
CO6  H3      H3    H  0  1  N  N  N  23.686  42.045  10.322   5.218   1.024   4.437  H3      CO6  78  
CO6  HN8     HN8   H  0  1  N  N  N  22.957  40.002  10.760   7.124   3.259   1.456  HN8     CO6  79  
CO6  H71     1H7   H  0  1  N  N  N  20.198  40.210   9.905   4.808   2.355  -0.105  H71     CO6  80  
CO6  H72     2H7   H  0  1  N  N  N  21.396  38.862   9.552   6.143   3.368  -0.658  H72     CO6  81  
CO6  H61     1H6   H  0  1  N  N  N  19.626  39.215  12.008   6.324   0.355  -0.083  H61     CO6  82  
CO6  H62     2H6   H  0  1  N  N  N  19.620  37.875  10.726   7.671   1.367  -0.620  H62     CO6  83  
CO6  HN4     HN4   H  0  1  N  N  N  20.005  38.258  13.842   7.456  -0.638  -2.031  HN4     CO6  84  
CO6  H31     1H3   H  0  1  N  N  N  22.858  37.620  14.199   6.407   0.316  -4.587  H31     CO6  85  
CO6  H32     2H3   H  0  1  N  N  N  21.684  38.131  15.465   7.570  -0.995  -4.344  H32     CO6  86  
CO6  H21     1H2   H  0  1  N  N  N  20.682  36.013  15.499   4.532  -1.114  -3.793  H21     CO6  87  
CO6  H22     2H2   H  0  1  N  N  N  21.617  35.489  14.049   5.365  -1.860  -5.167  H22     CO6  88  
CO6  H11     1H1   H  0  1  N  N  N       ?       ?       ?   3.474  -6.211  -1.077  H11     CO6  89  
CO6  H12     2H1   H  0  1  N  N  N       ?       ?       ?   2.522  -4.847  -1.695  H12     CO6  90  
CO6  H13     3H1   H  0  1  N  N  N       ?       ?       ?   4.080  -4.554  -0.917  H13     CO6  91  
CO6  H4      H4    H  0  1  N  N  N       ?       ?       ?   5.253  -5.760  -2.767  H4      CO6  92  
CO6  H41     1H4   H  0  1  N  N  N       ?       ?       ?   3.492  -7.353  -3.391  H41     CO6  93  
CO6  H42     2H4   H  0  1  N  N  N       ?       ?       ?   3.992  -6.417  -4.811  H42     CO6  94  
CO6  H43     3H4   H  0  1  N  N  N       ?       ?       ?   2.466  -6.043  -4.001  H43     CO6  95  
#   #
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
CO6  N1A  C2A     SING  Y  N   1  
CO6  N1A  C6A     DOUB  Y  N   2  
CO6  C2A  N3A     DOUB  Y  N   3  
CO6  C2A  H2      SING  N  N   4  
CO6  N3A  C4A     SING  Y  N   5  
CO6  C4A  C5A     DOUB  Y  N   6  
CO6  C4A  N9A     SING  Y  N   7  
CO6  C5A  C6A     SING  Y  N   8  
CO6  C5A  N7A     SING  Y  N   9  
CO6  C6A  N6A     SING  N  N  10  
CO6  N6A  HN61    SING  N  N  11  
CO6  N6A  HN62    SING  N  N  12  
CO6  N7A  C8A     DOUB  Y  N  13  
CO6  C8A  N9A     SING  Y  N  14  
CO6  C8A  H8      SING  N  N  15  
CO6  N9A  C1B     SING  N  N  16  
CO6  C1B  C2B     SING  N  N  17  
CO6  C1B  O4B     SING  N  N  18  
CO6  C1B  "H1'"   SING  N  N  19  
CO6  C2B  C3B     SING  N  N  20  
CO6  C2B  O2B     SING  N  N  21  
CO6  C2B  "H2'"   SING  N  N  22  
CO6  O2B  H1      SING  N  N  23  
CO6  C3B  C4B     SING  N  N  24  
CO6  C3B  O3B     SING  N  N  25  
CO6  C3B  "H3'"   SING  N  N  26  
CO6  O3B  P3B     SING  N  N  27  
CO6  P3B  O7A     DOUB  N  N  28  
CO6  P3B  O8A     SING  N  N  29  
CO6  P3B  O9A     SING  N  N  30  
CO6  O8A  HO8     SING  N  N  31  
CO6  O9A  HO9     SING  N  N  32  
CO6  C4B  C5B     SING  N  N  33  
CO6  C4B  O4B     SING  N  N  34  
CO6  C4B  "H4'"   SING  N  N  35  
CO6  C5B  O5B     SING  N  N  36  
CO6  C5B  "H5'1"  SING  N  N  37  
CO6  C5B  "H5'2"  SING  N  N  38  
CO6  O5B  P1A     SING  N  N  39  
CO6  P1A  O1A     DOUB  N  N  40  
CO6  P1A  O2A     SING  N  N  41  
CO6  P1A  O3A     SING  N  N  42  
CO6  O2A  HO2     SING  N  N  43  
CO6  O3A  P2A     SING  N  N  44  
CO6  P2A  O4A     DOUB  N  N  45  
CO6  P2A  O5A     SING  N  N  46  
CO6  P2A  O6A     SING  N  N  47  
CO6  O5A  HO5     SING  N  N  48  
CO6  O6A  CCP     SING  N  N  49  
CO6  CBP  CAP     SING  N  N  50  
CO6  CBP  CCP     SING  N  N  51  
CO6  CBP  CDP     SING  N  N  52  
CO6  CBP  CEP     SING  N  N  53  
CO6  CCP  H121    SING  N  N  54  
CO6  CCP  H122    SING  N  N  55  
CO6  CDP  H131    SING  N  N  56  
CO6  CDP  H132    SING  N  N  57  
CO6  CDP  H133    SING  N  N  58  
CO6  CEP  H141    SING  N  N  59  
CO6  CEP  H142    SING  N  N  60  
CO6  CEP  H143    SING  N  N  61  
CO6  CAP  C9P     SING  N  N  62  
CO6  CAP  OAP     SING  N  N  63  
CO6  CAP  H10     SING  N  N  64  
CO6  OAP  H3      SING  N  N  65  
CO6  C9P  O9P     DOUB  N  N  66  
CO6  C9P  N8P     SING  N  N  67  
CO6  N8P  C7P     SING  N  N  68  
CO6  N8P  HN8     SING  N  N  69  
CO6  C7P  C6P     SING  N  N  70  
CO6  C7P  H71     SING  N  N  71  
CO6  C7P  H72     SING  N  N  72  
CO6  C6P  C5P     SING  N  N  73  
CO6  C6P  H61     SING  N  N  74  
CO6  C6P  H62     SING  N  N  75  
CO6  C5P  N4P     SING  N  N  76  
CO6  C5P  O5P     DOUB  N  N  77  
CO6  N4P  C3P     SING  N  N  78  
CO6  N4P  HN4     SING  N  N  79  
CO6  C3P  C2P     SING  N  N  80  
CO6  C3P  H31     SING  N  N  81  
CO6  C3P  H32     SING  N  N  82  
CO6  C2P  S1P     SING  N  N  83  
CO6  C2P  H21     SING  N  N  84  
CO6  C2P  H22     SING  N  N  85  
CO6  S1P  C1      SING  N  N  86  
CO6  O1   C1      DOUB  N  N  87  
CO6  C1   C3      SING  N  N  88  
CO6  C2   C3      SING  N  N  89  
CO6  C2   H11     SING  N  N  90  
CO6  C2   H12     SING  N  N  91  
CO6  C2   H13     SING  N  N  92  
CO6  C3   C4      SING  N  N  93  
CO6  C3   H4      SING  N  N  94  
CO6  C4   H41     SING  N  N  95  
CO6  C4   H42     SING  N  N  96  
CO6  C4   H43     SING  N  N  97  
#   #
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
CO6  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)C(C)C"  
CO6  SMILES_CANONICAL  CACTVS                3.341  "CC(C)C(=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"  
CO6  SMILES            CACTVS                3.341  "CC(C)C(=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"  
CO6  SMILES_CANONICAL  "OpenEye OEToolkits"  1.5.0  "CC(C)C(=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"  
CO6  SMILES            "OpenEye OEToolkits"  1.5.0  "CC(C)C(=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"  
CO6  InChI             InChI                 1.03   "InChI=1S/C25H42N7O17P3S/c1-13(2)24(37)53-8-7-27-15(33)5-6-28-22(36)19(35)25(3,4)10-46-52(43,44)49-51(41,42)45-9-14-18(48-50(38,39)40)17(34)23(47-14)32-12-31-16-20(26)29-11-30-21(16)32/h11-14,17-19,23,34-35H,5-10H2,1-4H3,(H,27,33)(H,28,36)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/t14-,17-,18-,19+,23-/m1/s1"  
CO6  InChIKey          InChI                 1.03   AEWHYWSPVRZHCT-NDZSKPAWSA-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
CO6  "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} 2-methylpropanethioate (non-preferred name)"  
CO6  "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] 2-methylpropanethioate"  
#   #
loop_
_pdbx_chem_comp_audit.comp_id
_pdbx_chem_comp_audit.action_type
_pdbx_chem_comp_audit.date
_pdbx_chem_comp_audit.processing_site
CO6  "Create component"   2006-10-11  RCSB  
CO6  "Modify descriptor"  2011-06-04  RCSB  
CO6  "Modify synonyms"    2021-03-01  PDBE  
#
_pdbx_chem_comp_synonyms.ordinal     1
_pdbx_chem_comp_synonyms.comp_id     CO6
_pdbx_chem_comp_synonyms.name        IB-CO6
_pdbx_chem_comp_synonyms.provenance  ?
_pdbx_chem_comp_synonyms.type        ?
##
