data_SOP
#

_chem_comp.id                                   SOP
_chem_comp.name                                 
;[(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-4-HYDROXY-3-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]METHYL
(3R)-3-HYDROXY-2,2-DIMETHYL-4-OXO-4-{[3-OXO-3-({2-[(2-OXOPROPYL)THIO]ETHYL}AMINO)PROPYL]AMINO}BUTYL DIHYDROGEN
DIPHOSPHATE
;

_chem_comp.type                                 NON-POLYMER
_chem_comp.pdbx_type                            HETAIN
_chem_comp.formula                              "C24 H40 N7 O17 P3 S"
_chem_comp.mon_nstd_parent_comp_id              ?
_chem_comp.pdbx_synonyms                        "S-(2-OXOPROPYL)-COENZYME A"
_chem_comp.pdbx_formal_charge                   0
_chem_comp.pdbx_initial_date                    2006-03-24
_chem_comp.pdbx_modified_date                   2020-06-17
_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                       823.597
_chem_comp.one_letter_code                      ?
_chem_comp.three_letter_code                    SOP
_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       2FY5
_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
SOP  N6      N6    N  0  1  N  N  N  27.821  -6.200  79.272  -11.812  -0.822  -4.663  N6      SOP   1  
SOP  C6      C6    C  0  1  Y  N  N  28.405  -6.066  78.092  -11.270   0.185  -3.884  C6      SOP   2  
SOP  N1      N1    N  0  1  Y  N  N  29.754  -5.900  77.999  -11.849   1.379  -3.817  N1      SOP   3  
SOP  C2      C2    C  0  1  Y  N  N  30.366  -5.759  76.817  -11.339   2.346  -3.077  C2      SOP   4  
SOP  N3      N3    N  0  1  Y  N  N  29.638  -5.789  75.672  -10.240   2.189  -2.369  N3      SOP   5  
SOP  C4      C4    C  0  1  Y  N  N  28.292  -5.947  75.694   -9.594   1.028  -2.369  C4      SOP   6  
SOP  C5      C5    C  0  1  Y  N  N  27.638  -6.099  76.924  -10.094  -0.031  -3.146  C5      SOP   7  
SOP  N7      N7    N  0  1  Y  N  N  26.352  -6.243  76.686   -9.256  -1.082  -2.975  N7      SOP   8  
SOP  C8      C8    C  0  1  Y  N  N  26.178  -6.190  75.361   -8.295  -0.742  -2.166  C8      SOP   9  
SOP  N9      N9    N  0  1  Y  N  N  27.344  -6.016  74.738   -8.457   0.552  -1.768  N9      SOP  10  
SOP  "C1'"   C1*   C  0  1  N  N  R  27.548  -5.900  73.264   -7.581   1.295  -0.859  "C1'"   SOP  11  
SOP  "O4'"   O4*   O  0  1  N  N  N  26.904  -4.736  72.695   -6.255   0.723  -0.849  "O4'"   SOP  12  
SOP  "C2'"   C2*   C  0  1  N  N  R  27.003  -7.048  72.388   -8.053   1.138   0.609  "C2'"   SOP  13  
SOP  "O2'"   O2*   O  0  1  N  N  N  27.838  -8.205  72.469   -9.049   2.111   0.931  "O2'"   SOP  14  
SOP  "C3'"   C3*   C  0  1  N  N  S  27.021  -6.399  71.015   -6.745   1.403   1.401  "C3'"   SOP  15  
SOP  "O3'"   O3*   O  0  1  N  N  N  28.320  -6.446  70.424   -6.704   2.756   1.860  "O3'"   SOP  16  
SOP  P3      P3    P  0  1  N  N  N  28.459  -6.262  68.829   -6.576   2.700   3.464  P3      SOP  17  
SOP  O32     O32   O  0  1  N  N  N  28.452  -4.670  68.516   -5.167   2.035   3.867  O32     SOP  18  
SOP  O33     O33   O  0  1  N  N  N  29.906  -6.853  68.459   -6.656   4.193   4.061  O33     SOP  19  
SOP  O31     O31   O  0  1  N  N  N  27.360  -6.977  68.116   -7.682   1.887   4.018  O31     SOP  20  
SOP  "C4'"   C4*   C  0  1  N  N  R  26.557  -4.982  71.299   -5.627   1.140   0.374  "C4'"   SOP  21  
SOP  "C5'"   C5*   C  0  1  N  N  N  25.038  -4.919  71.120   -4.700   0.036   0.886  "C5'"   SOP  22  
SOP  "O5'"   O5*   O  0  1  N  N  N  24.530  -3.861  71.915   -3.606  -0.125  -0.019  "O5'"   SOP  23  
SOP  P1      P1    P  0  1  N  N  R  23.170  -4.017  72.752   -2.676  -1.296   0.578  P1      SOP  24  
SOP  O11     O11   O  0  1  N  N  N  23.144  -2.887  73.708   -3.490  -2.686   0.567  O11     SOP  25  
SOP  O12     O12   O  0  1  N  N  N  23.132  -5.361  73.355   -2.292  -0.961   1.967  O12     SOP  26  
SOP  O6      O6    O  0  1  N  N  N  22.070  -3.778  71.604   -1.351  -1.443  -0.325  O6      SOP  27  
SOP  P2      P2    P  0  1  N  N  S  21.120  -4.910  70.997   -0.303  -2.320   0.526  P2      SOP  28  
SOP  O21     O21   O  0  1  N  N  N  21.078  -6.104  71.838   -0.681  -3.880   0.400  O21     SOP  29  
SOP  O22     O22   O  0  1  N  N  N  21.606  -5.081  69.610   -0.359  -1.913   1.948  O22     SOP  30  
SOP  O7      O7    O  0  1  N  N  N  19.709  -4.186  71.027    1.184  -2.080  -0.042  O7      SOP  31  
SOP  CP9     CP9   C  0  1  N  N  N  18.775  -4.401  72.093    2.076  -2.786   0.822  CP9     SOP  32  
SOP  CP8     CP8   C  0  1  N  N  N  17.361  -4.318  71.501    3.514  -2.598   0.335  CP8     SOP  33  
SOP  CPB     CPB   C  0  1  N  N  N  17.173  -2.904  70.900    3.645  -3.143  -1.089  CPB     SOP  34  
SOP  CPA     CPA   C  0  1  N  N  N  16.328  -4.539  72.616    3.866  -1.109   0.346  CPA     SOP  35  
SOP  CP7     CP7   C  0  1  N  N  R  17.277  -5.424  70.408    4.469  -3.355   1.260  CP7     SOP  36  
SOP  OP3     OP3   O  0  1  N  N  N  17.247  -6.736  70.986    4.056  -4.720   1.358  OP3     SOP  37  
SOP  CP6     CP6   C  0  1  N  N  N  16.059  -5.280  69.499    5.867  -3.292   0.700  CP6     SOP  38  
SOP  OP2     OP2   O  0  1  N  N  N  14.994  -5.879  69.726    6.358  -4.273   0.184  OP2     SOP  39  
SOP  NP2     NP2   N  0  1  N  N  N  16.303  -4.448  68.469    6.570  -2.144   0.773  NP2     SOP  40  
SOP  CP5     CP5   C  0  1  N  N  N  15.293  -4.143  67.457    7.913  -2.070   0.191  CP5     SOP  41  
SOP  CP4     CP4   C  0  1  N  N  N  14.658  -2.806  67.822    8.487  -0.669   0.409  CP4     SOP  42  
SOP  CP3     CP3   C  0  1  N  N  N  13.557  -2.482  66.821    9.868  -0.593  -0.190  CP3     SOP  43  
SOP  OP1     OP1   O  0  1  N  N  N  12.565  -3.217  66.751   10.346  -1.564  -0.737  OP1     SOP  44  
SOP  NP1     NP1   N  0  1  N  N  N  13.737  -1.391  66.074   10.571   0.554  -0.117  NP1     SOP  45  
SOP  CP2     CP2   C  0  1  N  N  N  12.741  -0.949  65.063   11.914   0.628  -0.699  CP2     SOP  46  
SOP  CP1     CP1   C  0  1  N  N  N  11.454  -0.490  65.787   12.488   2.030  -0.481  CP1     SOP  47  
SOP  S       S     S  0  1  N  N  N  10.141   0.048  64.671   14.150   2.121  -1.202  S       SOP  48  
SOP  CA1     CA1   C  0  1  N  N  N  10.262   1.787  64.401   14.570   3.841  -0.806  CA1     SOP  49  
SOP  CA2     CA2   C  0  1  N  N  N  10.535   2.304  63.011   15.951   4.152  -1.324  CA2     SOP  50  
SOP  OA1     OA1   O  0  1  N  N  N  11.666   2.601  62.688   16.585   3.302  -1.901  OA1     SOP  51  
SOP  CA3     CA3   C  0  1  N  N  N   9.283   2.383  62.172   16.539   5.525  -1.122  CA3     SOP  52  
SOP  HN61    1HN6  H  0  0  N  N  N  27.215  -5.421  79.434  -11.381  -1.690  -4.703  HN61    SOP  53  
SOP  HN62    2HN6  H  0  0  N  N  N  28.519  -6.234  79.988  -12.625  -0.661  -5.168  HN62    SOP  54  
SOP  H2      H2    H  0  1  N  N  N  31.436  -5.622  76.775  -11.842   3.302  -3.051  H2      SOP  55  
SOP  H8      H8    H  0  1  N  N  N  25.223  -6.276  74.864   -7.488  -1.389  -1.857  H8      SOP  56  
SOP  "H1'"   H1*   H  0  1  N  N  N  28.647  -5.880  73.233   -7.543   2.347  -1.139  "H1'"   SOP  57  
SOP  "H2'"   H2*   H  0  1  N  N  N  26.012  -7.425  72.680   -8.423   0.130   0.794  "H2'"   SOP  58  
SOP  "HO2'"  HO2*  H  0  0  N  N  N  28.023  -8.524  71.594   -9.798   1.949   0.342  "HO2'"  SOP  59  
SOP  "H3'"   H3*   H  0  1  N  N  N  26.380  -6.911  70.282   -6.661   0.714   2.241  "H3'"   SOP  60  
SOP  HO32    HO32  H  0  0  N  N  N  28.451  -4.186  69.334   -4.475   2.594   3.487  HO32    SOP  61  
SOP  HO33    HO33  H  0  0  N  N  N  29.970  -6.970  67.518   -6.576   4.114   5.022  HO33    SOP  62  
SOP  "H4'"   H4*   H  0  1  N  N  N  27.017  -4.240  70.630   -5.056   2.054   0.205  "H4'"   SOP  63  
SOP  "H5'1"  1H5*  H  0  0  N  N  N  24.585  -5.872  71.431   -5.254  -0.900   0.957  "H5'1"  SOP  64  
SOP  "H5'2"  2H5*  H  0  0  N  N  N  24.796  -4.738  70.062   -4.319   0.308   1.871  "H5'2"  SOP  65  
SOP  HO11    HO11  H  0  0  N  N  N  23.138  -3.223  74.596   -3.721  -2.867  -0.354  HO11    SOP  66  
SOP  HO21    HO21  H  0  0  N  N  N  21.069  -6.879  71.288   -0.632  -4.104  -0.540  HO21    SOP  67  
SOP  HP91    1HP9  H  0  0  N  N  N  18.907  -3.642  72.878    1.825  -3.847   0.814  HP91    SOP  68  
SOP  HP92    2HP9  H  0  0  N  N  N  18.938  -5.392  72.543    1.982  -2.399   1.836  HP92    SOP  69  
SOP  HPB1    1HPB  H  0  0  N  N  N  16.237  -2.873  70.323    3.395  -4.204  -1.097  HPB1    SOP  70  
SOP  HPB2    2HPB  H  0  0  N  N  N  18.020  -2.672  70.238    2.965  -2.604  -1.748  HPB2    SOP  71  
SOP  HPB3    3HPB  H  0  0  N  N  N  17.128  -2.163  71.712    4.670  -3.009  -1.436  HPB3    SOP  72  
SOP  HPA1    1HPA  H  0  0  N  N  N  15.789  -5.481  72.435    4.838  -0.962  -0.124  HPA1    SOP  73  
SOP  HPA2    2HPA  H  0  0  N  N  N  15.613  -3.703  72.624    3.108  -0.553  -0.206  HPA2    SOP  74  
SOP  HPA3    3HPA  H  0  0  N  N  N  16.842  -4.592  73.587    3.901  -0.752   1.375  HPA3    SOP  75  
SOP  HP7     HP7   H  0  1  N  N  N  18.186  -5.293  69.802    4.453  -2.899   2.250  HP7     SOP  76  
SOP  HOP3    HOP3  H  0  0  N  N  N  17.240  -7.387  70.294    4.084  -5.085   0.463  HOP3    SOP  77  
SOP  HNP2    HNP2  H  0  0  N  N  N  17.206  -4.024  68.394    6.188  -1.368   1.210  HNP2    SOP  78  
SOP  HP51    1HP5  H  0  0  N  N  N  14.530  -4.935  67.426    7.857  -2.278  -0.878  HP51    SOP  79  
SOP  HP52    2HP5  H  0  0  N  N  N  15.762  -4.079  66.464    8.558  -2.806   0.671  HP52    SOP  80  
SOP  HP41    1HP4  H  0  0  N  N  N  15.423  -2.016  67.797    8.542  -0.461   1.477  HP41    SOP  81  
SOP  HP42    2HP4  H  0  0  N  N  N  14.229  -2.866  68.833    7.841   0.067  -0.072  HP42    SOP  82  
SOP  HNP1    HNP1  H  0  0  N  N  N  14.570  -0.852  66.199   10.189   1.331   0.320  HNP1    SOP  83  
SOP  HP21    1HP2  H  0  0  N  N  N  12.507  -1.783  64.385   11.858   0.420  -1.768  HP21    SOP  84  
SOP  HP22    2HP2  H  0  0  N  N  N  13.154  -0.113  64.479   12.559  -0.107  -0.219  HP22    SOP  85  
SOP  HP11    1HP1  H  0  0  N  N  N  11.725   0.377  66.408   12.543   2.237   0.588  HP11    SOP  86  
SOP  HP12    2HP1  H  0  0  N  N  N  11.074  -1.338  66.376   11.842   2.765  -0.961  HP12    SOP  87  
SOP  HA11    1HA1  H  0  0  N  N  N  11.153   2.083  64.974   14.548   3.981   0.275  HA11    SOP  88  
SOP  HA12    2HA1  H  0  0  N  N  N   9.295   2.214  64.704   13.847   4.509  -1.274  HA12    SOP  89  
SOP  HA31    1HA3  H  0  0  N  N  N   9.229   1.505  61.511   16.277   6.161  -1.968  HA31    SOP  90  
SOP  HA32    2HA3  H  0  0  N  N  N   9.307   3.299  61.564   16.143   5.959  -0.204  HA32    SOP  91  
SOP  HA33    3HA3  H  0  0  N  N  N   8.401   2.402  62.829   17.624   5.448  -1.049  HA33    SOP  92  
#   #
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
SOP  N6     C6      SING  N  N   1  
SOP  N6     HN61    SING  N  N   2  
SOP  N6     HN62    SING  N  N   3  
SOP  C6     N1      SING  Y  N   4  
SOP  C6     C5      DOUB  Y  N   5  
SOP  N1     C2      DOUB  Y  N   6  
SOP  C2     N3      SING  Y  N   7  
SOP  C2     H2      SING  N  N   8  
SOP  N3     C4      DOUB  Y  N   9  
SOP  C4     C5      SING  Y  N  10  
SOP  C4     N9      SING  Y  N  11  
SOP  C5     N7      SING  Y  N  12  
SOP  N7     C8      DOUB  Y  N  13  
SOP  C8     N9      SING  Y  N  14  
SOP  C8     H8      SING  N  N  15  
SOP  N9     "C1'"   SING  N  N  16  
SOP  "C1'"  "O4'"   SING  N  N  17  
SOP  "C1'"  "C2'"   SING  N  N  18  
SOP  "C1'"  "H1'"   SING  N  N  19  
SOP  "O4'"  "C4'"   SING  N  N  20  
SOP  "C2'"  "O2'"   SING  N  N  21  
SOP  "C2'"  "C3'"   SING  N  N  22  
SOP  "C2'"  "H2'"   SING  N  N  23  
SOP  "O2'"  "HO2'"  SING  N  N  24  
SOP  "C3'"  "O3'"   SING  N  N  25  
SOP  "C3'"  "C4'"   SING  N  N  26  
SOP  "C3'"  "H3'"   SING  N  N  27  
SOP  "O3'"  P3      SING  N  N  28  
SOP  P3     O32     SING  N  N  29  
SOP  P3     O33     SING  N  N  30  
SOP  P3     O31     DOUB  N  N  31  
SOP  O32    HO32    SING  N  N  32  
SOP  O33    HO33    SING  N  N  33  
SOP  "C4'"  "C5'"   SING  N  N  34  
SOP  "C4'"  "H4'"   SING  N  N  35  
SOP  "C5'"  "O5'"   SING  N  N  36  
SOP  "C5'"  "H5'1"  SING  N  N  37  
SOP  "C5'"  "H5'2"  SING  N  N  38  
SOP  "O5'"  P1      SING  N  N  39  
SOP  P1     O11     SING  N  N  40  
SOP  P1     O12     DOUB  N  N  41  
SOP  P1     O6      SING  N  N  42  
SOP  O11    HO11    SING  N  N  43  
SOP  O6     P2      SING  N  N  44  
SOP  P2     O21     SING  N  N  45  
SOP  P2     O22     DOUB  N  N  46  
SOP  P2     O7      SING  N  N  47  
SOP  O21    HO21    SING  N  N  48  
SOP  O7     CP9     SING  N  N  49  
SOP  CP9    CP8     SING  N  N  50  
SOP  CP9    HP91    SING  N  N  51  
SOP  CP9    HP92    SING  N  N  52  
SOP  CP8    CPB     SING  N  N  53  
SOP  CP8    CPA     SING  N  N  54  
SOP  CP8    CP7     SING  N  N  55  
SOP  CPB    HPB1    SING  N  N  56  
SOP  CPB    HPB2    SING  N  N  57  
SOP  CPB    HPB3    SING  N  N  58  
SOP  CPA    HPA1    SING  N  N  59  
SOP  CPA    HPA2    SING  N  N  60  
SOP  CPA    HPA3    SING  N  N  61  
SOP  CP7    OP3     SING  N  N  62  
SOP  CP7    CP6     SING  N  N  63  
SOP  CP7    HP7     SING  N  N  64  
SOP  OP3    HOP3    SING  N  N  65  
SOP  CP6    OP2     DOUB  N  N  66  
SOP  CP6    NP2     SING  N  N  67  
SOP  NP2    CP5     SING  N  N  68  
SOP  NP2    HNP2    SING  N  N  69  
SOP  CP5    CP4     SING  N  N  70  
SOP  CP5    HP51    SING  N  N  71  
SOP  CP5    HP52    SING  N  N  72  
SOP  CP4    CP3     SING  N  N  73  
SOP  CP4    HP41    SING  N  N  74  
SOP  CP4    HP42    SING  N  N  75  
SOP  CP3    OP1     DOUB  N  N  76  
SOP  CP3    NP1     SING  N  N  77  
SOP  NP1    CP2     SING  N  N  78  
SOP  NP1    HNP1    SING  N  N  79  
SOP  CP2    CP1     SING  N  N  80  
SOP  CP2    HP21    SING  N  N  81  
SOP  CP2    HP22    SING  N  N  82  
SOP  CP1    S       SING  N  N  83  
SOP  CP1    HP11    SING  N  N  84  
SOP  CP1    HP12    SING  N  N  85  
SOP  S      CA1     SING  N  N  86  
SOP  CA1    CA2     SING  N  N  87  
SOP  CA1    HA11    SING  N  N  88  
SOP  CA1    HA12    SING  N  N  89  
SOP  CA2    OA1     DOUB  N  N  90  
SOP  CA2    CA3     SING  N  N  91  
SOP  CA3    HA31    SING  N  N  92  
SOP  CA3    HA32    SING  N  N  93  
SOP  CA3    HA33    SING  N  N  94  
#   #
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
SOP  SMILES            ACDLabs               10.04  "O=C(C)CSCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O"  
SOP  SMILES_CANONICAL  CACTVS                3.341  "CC(=O)CSCCNC(=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"  
SOP  SMILES            CACTVS                3.341  "CC(=O)CSCCNC(=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"  
SOP  SMILES_CANONICAL  "OpenEye OEToolkits"  1.5.0  "CC(=O)CSCCNC(=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"  
SOP  SMILES            "OpenEye OEToolkits"  1.5.0  "CC(=O)CSCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O"  
SOP  InChI             InChI                 1.03   "InChI=1S/C24H40N7O17P3S/c1-13(32)9-52-7-6-26-15(33)4-5-27-22(36)19(35)24(2,3)10-45-51(42,43)48-50(40,41)44-8-14-18(47-49(37,38)39)17(34)23(46-14)31-12-30-16-20(25)28-11-29-21(16)31/h11-12,14,17-19,23,34-35H,4-10H2,1-3H3,(H,26,33)(H,27,36)(H,40,41)(H,42,43)(H2,25,28,29)(H2,37,38,39)/t14-,17-,18-,19+,23-/m1/s1"  
SOP  InChIKey          InChI                 1.03   GAMKENBUYYJLCQ-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
SOP  "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-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(2-oxopropyl)sulfanyl]ethyl}amino)propyl]amino}butyl dihydrogen diphosphate (non-preferred name)"  
SOP  "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-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[2-(2-oxopropylsulfanyl)ethylamino]propyl]amino]butoxy]phosphoryl] 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
SOP  "Create component"   2006-03-24  RCSB  
SOP  "Modify descriptor"  2011-06-04  RCSB  
SOP  "Modify synonyms"    2020-06-05  PDBE  
#
_pdbx_chem_comp_synonyms.ordinal     1
_pdbx_chem_comp_synonyms.comp_id     SOP
_pdbx_chem_comp_synonyms.name        "S-(2-OXOPROPYL)-COENZYME A"
_pdbx_chem_comp_synonyms.provenance  ?
_pdbx_chem_comp_synonyms.type        ?
##
