data_I0O
#

_chem_comp.id                                   I0O
_chem_comp.name                                 "4-amino-4-deoxy-1-O-[(S)-hydroxy{[(2E,6E,10Z,14Z,18Z,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-yl]oxy}phosphoryl]-alpha-L-arabinopyranose"
_chem_comp.type                                 non-polymer
_chem_comp.pdbx_type                            HETAIN
_chem_comp.formula                              "C50 H84 N O7 P"
_chem_comp.mon_nstd_parent_comp_id              ?
_chem_comp.pdbx_synonyms                        ?
_chem_comp.pdbx_formal_charge                   0
_chem_comp.pdbx_initial_date                    2022-01-04
_chem_comp.pdbx_modified_date                   2022-04-01
_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                       842.178
_chem_comp.one_letter_code                      ?
_chem_comp.three_letter_code                    I0O
_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       7TCG
_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
I0O  C1   C1   C  0  1  N  N  N  137.693  133.803   98.329    8.231  -2.524  -0.143  C1   I0O    1  
I0O  C2   C2   C  0  1  N  N  N  137.894  134.345   99.711    6.750  -2.797  -0.206  C2   I0O    2  
I0O  C3   C3   C  0  1  N  N  N  137.070  134.158  100.737    6.235  -3.779   0.492  C3   I0O    3  
I0O  C4   C4   C  0  1  N  N  N  137.282  134.852  102.054    4.740  -3.966   0.539  C4   I0O    4  
I0O  C5   C5   C  0  1  N  N  N  138.518  135.729  102.086    4.320  -4.985  -0.522  C5   I0O    5  
I0O  C6   C6   C  0  1  N  N  S  135.134  134.257   95.364   10.929   2.007   0.078  C6   I0O    6  
I0O  C7   C7   C  0  1  N  N  R  134.326  135.306   94.609   10.555   3.314  -0.626  C7   I0O    7  
I0O  C9   C8   C  0  1  N  N  S  135.400  134.274   92.599   12.180   4.487   0.860  C9   I0O    8  
I0O  C15  C9   C  0  1  N  N  N  139.666  137.484  105.386    0.627  -5.237  -1.534  C15  I0O    9  
I0O  C16  C10  C  0  1  N  N  N  138.506  138.460  105.464   -0.162  -3.984  -1.148  C16  I0O   10  
I0O  C17  C11  C  0  1  N  N  N  137.252  137.843  106.005   -1.636  -4.299  -1.145  C17  I0O   11  
I0O  C18  C12  C  0  1  N  N  N  136.460  138.293  106.974   -2.332  -4.169  -0.043  C18  I0O   12  
I0O  C19  C13  C  0  1  N  N  N  135.272  137.538  107.488   -3.815  -4.432  -0.053  C19  I0O   13  
I0O  C24  C14  C  0  1  N  N  N  140.162  139.364  111.072    0.692  -0.579   3.883  C24  I0O   14  
I0O  C25  C15  C  0  1  N  N  N  138.139  140.835  111.499    0.597  -0.592   1.275  C25  I0O   15  
I0O  C26  C16  C  0  1  N  N  N  138.971  141.294  112.679   -0.049   0.734   0.868  C26  I0O   16  
I0O  C27  C17  C  0  1  N  N  N  138.280  142.324  113.519    0.507   1.177  -0.460  C27  I0O   17  
I0O  C28  C18  C  0  1  N  N  N  137.916  142.227  114.794   -0.292   1.332  -1.487  C28  I0O   18  
I0O  C29  C19  C  0  1  N  N  N  137.378  143.371  115.598    0.255   1.826  -2.801  C29  I0O   19  
I0O  C36  C20  C  0  1  N  N  N  135.953  136.380  115.907   -6.997   3.155  -0.264  C36  I0O   20  
I0O  C37  C21  C  0  1  N  N  N  136.440  136.463  114.492   -8.460   2.801  -0.180  C37  I0O   21  
I0O  C38  C22  C  0  1  N  N  N  135.724  136.356  113.376   -8.954   2.318   0.933  C38  I0O   22  
I0O  C39  C23  C  0  1  N  N  N  134.230  136.246  113.359   -8.046   2.047   2.105  C39  I0O   23  
I0O  C40  C24  C  0  1  N  N  N  136.376  136.327  112.022  -10.429   2.033   1.042  C40  I0O   24  
I0O  C10  C25  C  0  1  N  N  N  136.413  133.576   93.489   12.491   3.135   1.507  C10  I0O   25  
I0O  C11  C26  C  0  1  N  N  N  138.640  136.537  103.343    2.826  -5.173  -0.475  C11  I0O   26  
I0O  C12  C27  C  0  1  N  N  N  139.599  136.486  104.263    2.100  -4.922  -1.536  C12  I0O   27  
I0O  C13  C28  C  0  1  N  N  N  135.878  133.252  100.672    7.136  -4.721   1.247  C13  I0O   28  
I0O  C14  C29  C  0  1  N  N  N  140.695  135.463  104.260    2.740  -4.318  -2.760  C14  I0O   29  
I0O  C20  C30  C  0  1  N  N  N  136.692  139.627  107.625   -1.648  -3.755   1.235  C20  I0O   30  
I0O  C21  C31  C  0  1  N  N  N  136.757  139.559  109.138   -1.693  -2.231   1.367  C21  I0O   31  
I0O  C22  C32  C  0  1  N  N  N  138.101  139.175  109.676   -1.010  -1.818   2.645  C22  I0O   32  
I0O  C23  C33  C  0  1  N  N  N  138.768  139.746  110.675    0.040  -1.036   2.603  C23  I0O   33  
I0O  C30  C34  C  0  1  N  N  N  137.992  140.914  115.520   -1.760   1.015  -1.353  C30  I0O   34  
I0O  C31  C35  C  0  1  N  N  N  136.722  140.570  116.269   -2.518   2.277  -0.938  C31  I0O   35  
I0O  C32  C36  C  0  1  N  N  N  136.509  139.095  116.422   -3.985   1.961  -0.805  C32  I0O   36  
I0O  C33  C37  C  0  1  N  N  N  137.221  138.212  117.118   -4.872   2.680  -1.448  C33  I0O   37  
I0O  C34  C38  C  0  1  N  N  N  138.291  138.583  118.099   -4.429   3.861  -2.273  C34  I0O   38  
I0O  C35  C39  C  0  1  N  N  N  136.992  136.735  116.955   -6.334   2.325  -1.364  C35  I0O   39  
I0O  C41  C40  C  0  1  N  N  N  136.959  134.985  111.618  -10.690   0.561   0.715  C41  I0O   40  
I0O  C42  C41  C  0  1  N  N  N  138.202  134.605  112.363  -12.165   0.275   0.824  C42  I0O   41  
I0O  C43  C42  C  0  1  N  N  N  139.414  134.374  111.866  -12.827  -0.158  -0.221  C43  I0O   42  
I0O  C44  C43  C  0  1  N  N  N  139.744  134.467  110.407  -12.129  -0.302  -1.548  C44  I0O   43  
I0O  C45  C44  C  0  1  N  N  N  140.564  133.996  112.756  -14.286  -0.514  -0.094  C45  I0O   44  
I0O  C46  C45  C  0  1  N  N  N  140.410  132.653  113.444  -15.141   0.686  -0.507  C46  I0O   45  
I0O  C47  C46  C  0  1  N  N  N  140.384  131.506  112.481  -16.600   0.331  -0.380  C47  I0O   46  
I0O  C48  C47  C  0  1  N  N  N  139.458  130.571  112.342  -17.374   1.016   0.425  C48  I0O   47  
I0O  C49  C48  C  0  1  N  N  N  138.238  130.504  113.209  -16.790   2.112   1.279  C49  I0O   48  
I0O  C50  C49  C  0  1  N  N  N  139.545  129.492  111.305  -18.847   0.709   0.496  C50  I0O   49  
I0O  C8   C50  C  0  1  N  N  S  134.929  135.583   93.236   11.757   4.264  -0.595  C8   I0O   50  
I0O  N16  N1   N  0  1  N  N  N  135.899  134.466   91.229   11.089   5.143   1.593  N16  I0O   51  
I0O  O1   O1   O  0  1  N  N  N  137.592  134.860   97.376    8.451  -1.119  -0.007  O1   I0O   52  
I0O  O11  O2   O  0  1  N  N  N  136.432  134.149   94.805   11.342   2.290   1.417  O11  I0O   53  
I0O  O14  O3   O  0  1  N  N  N  132.974  134.870   94.488   10.196   3.041  -1.981  O14  I0O   54  
I0O  O15  O4   O  0  1  N  N  N  136.035  136.469   93.364   11.394   5.514  -1.185  O15  I0O   55  
I0O  O3   O5   O  0  1  N  N  N  135.812  136.148   98.659   10.637  -0.960   1.445  O3   I0O   56  
I0O  O4   O6   O  0  1  N  N  N  136.458  136.811   96.266   10.726  -0.890  -1.077  O4   I0O   57  
I0O  O5   O7   O  0  1  N  N  N  135.195  134.639   96.714    9.795   1.138   0.103  O5   I0O   58  
I0O  P2   P1   P  0  1  N  N  N  136.238  135.722   97.281    9.920  -0.467   0.090  P2   I0O   59  
I0O  H1   H1   H  0  1  N  N  N  136.768  133.209   98.307    8.660  -3.044   0.714  H1   I0O   60  
I0O  H2   H2   H  0  1  N  N  N  138.547  133.162   98.066    8.705  -2.880  -1.058  H2   I0O   61  
I0O  H3   H3   H  0  1  N  N  N  138.781  134.936   99.888    6.114  -2.183  -0.826  H3   I0O   62  
I0O  H4   H4   H  0  1  N  N  N  136.404  135.481  102.261    4.450  -4.328   1.526  H4   I0O   63  
I0O  H5   H5   H  0  1  N  N  N  137.378  134.087  102.839    4.248  -3.013   0.343  H5   I0O   64  
I0O  H6   H6   H  0  1  N  N  N  139.405  135.085  101.998    4.610  -4.623  -1.508  H6   I0O   65  
I0O  H7   H7   H  0  1  N  N  N  138.479  136.419  101.230    4.812  -5.938  -0.326  H7   I0O   66  
I0O  H8   H8   H  0  1  N  N  N  134.613  133.293   95.274   11.745   1.525  -0.460  H8   I0O   67  
I0O  H9   H9   H  0  1  N  N  N  134.356  136.241   95.188    9.713   3.777  -0.112  H9   I0O   68  
I0O  H10  H10  H  0  1  N  N  N  134.520  133.616   92.540   13.069   5.118   0.888  H10  I0O   69  
I0O  H11  H11  H  0  1  N  N  N  139.704  136.926  106.333    0.426  -6.029  -0.813  H11  I0O   70  
I0O  H12  H12  H  0  1  N  N  N  140.591  138.067  105.267    0.324  -5.565  -2.528  H12  I0O   71  
I0O  H13  H13  H  0  1  N  N  N  138.795  139.296  106.118    0.141  -3.656  -0.153  H13  I0O   72  
I0O  H14  H14  H  0  1  N  N  N  138.300  138.841  104.453    0.039  -3.191  -1.869  H14  I0O   73  
I0O  H15  H15  H  0  1  N  N  N  136.952  136.911  105.548   -2.118  -4.633  -2.052  H15  I0O   74  
I0O  H16  H16  H  0  1  N  N  N  134.784  138.119  108.285   -3.999  -5.483   0.171  H16  I0O   75  
I0O  H17  H17  H  0  1  N  N  N  134.560  137.372  106.666   -4.300  -3.810   0.700  H17  I0O   76  
I0O  H18  H18  H  0  1  N  N  N  135.600  136.568  107.890   -4.220  -4.194  -1.036  H18  I0O   77  
I0O  H19  H19  H  0  1  N  N  N  140.484  139.983  111.923    1.462  -1.293   4.174  H19  I0O   78  
I0O  H20  H20  H  0  1  N  N  N  140.183  138.303  111.362    1.144   0.401   3.731  H20  I0O   79  
I0O  H21  H21  H  0  1  N  N  N  140.842  139.526  110.223   -0.060  -0.515   4.670  H21  I0O   80  
I0O  H22  H22  H  0  1  N  N  N  137.963  141.702  110.845    0.381  -1.348   0.520  H22  I0O   81  
I0O  H23  H23  H  0  1  N  N  N  137.177  140.463  111.881    1.675  -0.460   1.359  H23  I0O   82  
I0O  H24  H24  H  0  1  N  N  N  139.196  140.421  113.310   -1.128   0.602   0.784  H24  I0O   83  
I0O  H25  H25  H  0  1  N  N  N  139.910  141.724  112.300    0.167   1.490   1.623  H25  I0O   84  
I0O  H26  H26  H  0  1  N  N  N  138.050  143.259  113.030    1.565   1.367  -0.566  H26  I0O   85  
I0O  H27  H27  H  0  1  N  N  N  137.154  143.029  116.619    0.570   0.976  -3.406  H27  I0O   86  
I0O  H28  H28  H  0  1  N  N  N  138.127  144.176  115.637   -0.518   2.383  -3.330  H28  I0O   87  
I0O  H29  H29  H  0  1  N  N  N  136.458  143.749  115.128    1.110   2.477  -2.616  H29  I0O   88  
I0O  H30  H30  H  0  1  N  N  N  135.104  137.070  116.018   -6.893   4.215  -0.495  H30  I0O   89  
I0O  H31  H31  H  0  1  N  N  N  135.615  135.350  116.094   -6.517   2.943   0.691  H31  I0O   90  
I0O  H32  H32  H  0  1  N  N  N  137.499  136.630  114.363   -9.101   2.945  -1.037  H32  I0O   91  
I0O  H33  H33  H  0  1  N  N  N  133.848  136.276  114.390   -7.895   2.968   2.668  H33  I0O   92  
I0O  H34  H34  H  0  1  N  N  N  133.807  137.085  112.786   -8.501   1.297   2.752  H34  I0O   93  
I0O  H35  H35  H  0  1  N  N  N  133.938  135.296  112.888   -7.085   1.681   1.744  H35  I0O   94  
I0O  H36  H36  H  0  1  N  N  N  137.190  137.067  112.020  -10.767   2.245   2.056  H36  I0O   95  
I0O  H37  H37  H  0  1  N  N  N  135.621  136.610  111.274  -10.974   2.662   0.338  H37  I0O   96  
I0O  H38  H38  H  0  1  N  N  N  136.149  132.511   93.566   13.328   2.668   0.987  H38  I0O   97  
I0O  H39  H39  H  0  1  N  N  N  137.413  133.675   93.040   12.752   3.284   2.555  H39  I0O   98  
I0O  H40  H40  H  0  1  N  N  N  137.850  137.250  103.524    2.353  -5.514   0.434  H40  I0O   99  
I0O  H41  H41  H  0  1  N  N  N  135.355  133.263  101.640    7.395  -4.282   2.211  H41  I0O  100  
I0O  H42  H42  H  0  1  N  N  N  135.196  133.600   99.883    6.621  -5.668   1.406  H42  I0O  101  
I0O  H43  H43  H  0  1  N  N  N  136.208  132.227  100.446    8.045  -4.894   0.671  H43  I0O  102  
I0O  H44  H44  H  0  1  N  N  N  141.358  135.633  105.121    3.173  -5.109  -3.372  H44  I0O  103  
I0O  H45  H45  H  0  1  N  N  N  140.257  134.456  104.328    1.985  -3.784  -3.338  H45  I0O  104  
I0O  H46  H46  H  0  1  N  N  N  141.274  135.549  103.329    3.523  -3.623  -2.456  H46  I0O  105  
I0O  H47  H47  H  0  1  N  N  N  137.644  140.035  107.254   -2.160  -4.209   2.084  H47  I0O  106  
I0O  H48  H48  H  0  1  N  N  N  135.869  140.300  107.342   -0.610  -4.088   1.216  H48  I0O  107  
I0O  H49  H49  H  0  1  N  N  N  136.494  140.549  109.540   -1.182  -1.778   0.519  H49  I0O  108  
I0O  H50  H50  H  0  1  N  N  N  136.022  138.816  109.482   -2.731  -1.899   1.386  H50  I0O  109  
I0O  H51  H51  H  0  1  N  N  N  138.585  138.337  109.197   -1.386  -2.166   3.596  H51  I0O  110  
I0O  H52  H52  H  0  1  N  N  N  138.190  140.120  114.785   -2.143   0.659  -2.309  H52  I0O  111  
I0O  H53  H53  H  0  1  N  N  N  138.821  140.961  116.241   -1.897   0.243  -0.596  H53  I0O  112  
I0O  H54  H54  H  0  1  N  N  N  136.773  141.022  117.271   -2.135   2.634   0.018  H54  I0O  113  
I0O  H55  H55  H  0  1  N  N  N  135.867  140.992  115.720   -2.380   3.049  -1.695  H55  I0O  114  
I0O  H56  H56  H  0  1  N  N  N  135.658  138.692  115.893   -4.306   1.141  -0.179  H56  I0O  115  
I0O  H57  H57  H  0  1  N  N  N  138.722  137.670  118.535   -4.121   3.519  -3.261  H57  I0O  116  
I0O  H58  H58  H  0  1  N  N  N  139.080  139.151  117.584   -5.255   4.564  -2.372  H58  I0O  117  
I0O  H59  H59  H  0  1  N  N  N  137.857  139.201  118.899   -3.590   4.353  -1.781  H59  I0O  118  
I0O  H60  H60  H  0  1  N  N  N  136.660  136.328  117.922   -6.438   1.265  -1.132  H60  I0O  119  
I0O  H61  H61  H  0  1  N  N  N  137.945  136.267  116.668   -6.815   2.537  -2.319  H61  I0O  120  
I0O  H62  H62  H  0  1  N  N  N  136.199  134.211  111.798  -10.352   0.348  -0.299  H62  I0O  121  
I0O  H63  H63  H  0  1  N  N  N  137.198  135.022  110.545  -10.145  -0.069   1.419  H63  I0O  122  
I0O  H64  H64  H  0  1  N  N  N  138.102  134.507  113.434  -12.678   0.429   1.762  H64  I0O  123  
I0O  H65  H65  H  0  1  N  N  N  140.808  134.231  110.255  -11.608  -1.259  -1.584  H65  I0O  124  
I0O  H66  H66  H  0  1  N  N  N  139.126  133.751  109.845  -12.865  -0.259  -2.352  H66  I0O  125  
I0O  H67  H67  H  0  1  N  N  N  139.540  135.487  110.049  -11.410   0.508  -1.670  H67  I0O  126  
I0O  H68  H68  H  0  1  N  N  N  141.477  133.966  112.144  -14.511  -1.361  -0.742  H68  I0O  127  
I0O  H69  H69  H  0  1  N  N  N  140.668  134.770  113.531  -14.507  -0.779   0.940  H69  I0O  128  
I0O  H70  H70  H  0  1  N  N  N  139.468  132.656  114.013  -14.916   1.533   0.141  H70  I0O  129  
I0O  H71  H71  H  0  1  N  N  N  141.255  132.513  114.134  -14.920   0.951  -1.541  H71  I0O  130  
I0O  H72  H72  H  0  1  N  N  N  141.230  131.433  111.814  -17.008  -0.489  -0.953  H72  I0O  131  
I0O  H73  H73  H  0  1  N  N  N  138.258  131.329  113.936  -16.722   3.030   0.696  H73  I0O  132  
I0O  H74  H74  H  0  1  N  N  N  137.338  130.590  112.582  -17.431   2.278   2.145  H74  I0O  133  
I0O  H75  H75  H  0  1  N  N  N  138.222  129.544  113.745  -15.795   1.820   1.615  H75  I0O  134  
I0O  H76  H76  H  0  1  N  N  N  138.665  128.836  111.382  -19.024  -0.045   1.263  H76  I0O  135  
I0O  H77  H77  H  0  1  N  N  N  139.576  129.947  110.304  -19.396   1.617   0.745  H77  I0O  136  
I0O  H78  H78  H  0  1  N  N  N  140.458  128.901  111.467  -19.187   0.332  -0.468  H78  I0O  137  
I0O  H79  H79  H  0  1  N  N  N  134.156  136.030   92.593   12.584   3.823  -1.151  H79  I0O  138  
I0O  H80  H80  H  0  1  N  N  N  136.194  133.587   90.855   11.344   5.301   2.556  H80  I0O  139  
I0O  H81  H81  H  0  1  N  N  N  135.169  134.843   90.658   10.818   6.005   1.145  H81  I0O  140  
I0O  H83  H83  H  0  1  N  N  N  132.616  134.703   95.352    9.443   2.441  -2.075  H83  I0O  141  
I0O  H84  H84  H  0  1  N  N  N  136.218  136.617   94.284   11.115   5.446  -2.108  H84  I0O  142  
I0O  H85  H85  H  0  1  N  N  N  135.740  137.095   98.690   10.163  -0.717   2.252  H85  I0O  143  
#   #
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
I0O  N16  C9   SING  N  N    1  
I0O  C9   C8   SING  N  N    2  
I0O  C9   C10  SING  N  N    3  
I0O  C8   O15  SING  N  N    4  
I0O  C8   C7   SING  N  N    5  
I0O  C10  O11  SING  N  N    6  
I0O  O14  C7   SING  N  N    7  
I0O  C7   C6   SING  N  N    8  
I0O  O11  C6   SING  N  N    9  
I0O  C6   O5   SING  N  N   10  
I0O  O4   P2   DOUB  N  N   11  
I0O  O5   P2   SING  N  N   12  
I0O  P2   O1   SING  N  N   13  
I0O  P2   O3   SING  N  N   14  
I0O  O1   C1   SING  N  N   15  
I0O  C1   C2   SING  N  N   16  
I0O  C2   C3   DOUB  N  E   17  
I0O  C13  C3   SING  N  N   18  
I0O  C3   C4   SING  N  N   19  
I0O  C4   C5   SING  N  N   20  
I0O  C5   C11  SING  N  N   21  
I0O  C11  C12  DOUB  N  E   22  
I0O  C14  C12  SING  N  N   23  
I0O  C12  C15  SING  N  N   24  
I0O  C15  C16  SING  N  N   25  
I0O  C16  C17  SING  N  N   26  
I0O  C17  C18  DOUB  N  Z   27  
I0O  C18  C19  SING  N  N   28  
I0O  C18  C20  SING  N  N   29  
I0O  C20  C21  SING  N  N   30  
I0O  C21  C22  SING  N  N   31  
I0O  C22  C23  DOUB  N  Z   32  
I0O  C44  C43  SING  N  N   33  
I0O  C23  C24  SING  N  N   34  
I0O  C23  C25  SING  N  N   35  
I0O  C50  C48  SING  N  N   36  
I0O  C25  C26  SING  N  N   37  
I0O  C41  C40  SING  N  N   38  
I0O  C41  C42  SING  N  N   39  
I0O  C43  C42  DOUB  N  E   40  
I0O  C43  C45  SING  N  N   41  
I0O  C40  C38  SING  N  N   42  
I0O  C48  C47  DOUB  N  N   43  
I0O  C48  C49  SING  N  N   44  
I0O  C47  C46  SING  N  N   45  
I0O  C26  C27  SING  N  N   46  
I0O  C45  C46  SING  N  N   47  
I0O  C39  C38  SING  N  N   48  
I0O  C38  C37  DOUB  N  E   49  
I0O  C27  C28  DOUB  N  Z   50  
I0O  C37  C36  SING  N  N   51  
I0O  C28  C30  SING  N  N   52  
I0O  C28  C29  SING  N  N   53  
I0O  C30  C31  SING  N  N   54  
I0O  C36  C35  SING  N  N   55  
I0O  C31  C32  SING  N  N   56  
I0O  C32  C33  DOUB  N  E   57  
I0O  C35  C33  SING  N  N   58  
I0O  C33  C34  SING  N  N   59  
I0O  C1   H1   SING  N  N   60  
I0O  C1   H2   SING  N  N   61  
I0O  C2   H3   SING  N  N   62  
I0O  C4   H4   SING  N  N   63  
I0O  C4   H5   SING  N  N   64  
I0O  C5   H6   SING  N  N   65  
I0O  C5   H7   SING  N  N   66  
I0O  C6   H8   SING  N  N   67  
I0O  C7   H9   SING  N  N   68  
I0O  C9   H10  SING  N  N   69  
I0O  C15  H11  SING  N  N   70  
I0O  C15  H12  SING  N  N   71  
I0O  C16  H13  SING  N  N   72  
I0O  C16  H14  SING  N  N   73  
I0O  C17  H15  SING  N  N   74  
I0O  C19  H16  SING  N  N   75  
I0O  C19  H17  SING  N  N   76  
I0O  C19  H18  SING  N  N   77  
I0O  C24  H19  SING  N  N   78  
I0O  C24  H20  SING  N  N   79  
I0O  C24  H21  SING  N  N   80  
I0O  C25  H22  SING  N  N   81  
I0O  C25  H23  SING  N  N   82  
I0O  C26  H24  SING  N  N   83  
I0O  C26  H25  SING  N  N   84  
I0O  C27  H26  SING  N  N   85  
I0O  C29  H27  SING  N  N   86  
I0O  C29  H28  SING  N  N   87  
I0O  C29  H29  SING  N  N   88  
I0O  C36  H30  SING  N  N   89  
I0O  C36  H31  SING  N  N   90  
I0O  C37  H32  SING  N  N   91  
I0O  C39  H33  SING  N  N   92  
I0O  C39  H34  SING  N  N   93  
I0O  C39  H35  SING  N  N   94  
I0O  C40  H36  SING  N  N   95  
I0O  C40  H37  SING  N  N   96  
I0O  C10  H38  SING  N  N   97  
I0O  C10  H39  SING  N  N   98  
I0O  C11  H40  SING  N  N   99  
I0O  C13  H41  SING  N  N  100  
I0O  C13  H42  SING  N  N  101  
I0O  C13  H43  SING  N  N  102  
I0O  C14  H44  SING  N  N  103  
I0O  C14  H45  SING  N  N  104  
I0O  C14  H46  SING  N  N  105  
I0O  C20  H47  SING  N  N  106  
I0O  C20  H48  SING  N  N  107  
I0O  C21  H49  SING  N  N  108  
I0O  C21  H50  SING  N  N  109  
I0O  C22  H51  SING  N  N  110  
I0O  C30  H52  SING  N  N  111  
I0O  C30  H53  SING  N  N  112  
I0O  C31  H54  SING  N  N  113  
I0O  C31  H55  SING  N  N  114  
I0O  C32  H56  SING  N  N  115  
I0O  C34  H57  SING  N  N  116  
I0O  C34  H58  SING  N  N  117  
I0O  C34  H59  SING  N  N  118  
I0O  C35  H60  SING  N  N  119  
I0O  C35  H61  SING  N  N  120  
I0O  C41  H62  SING  N  N  121  
I0O  C41  H63  SING  N  N  122  
I0O  C42  H64  SING  N  N  123  
I0O  C44  H65  SING  N  N  124  
I0O  C44  H66  SING  N  N  125  
I0O  C44  H67  SING  N  N  126  
I0O  C45  H68  SING  N  N  127  
I0O  C45  H69  SING  N  N  128  
I0O  C46  H70  SING  N  N  129  
I0O  C46  H71  SING  N  N  130  
I0O  C47  H72  SING  N  N  131  
I0O  C49  H73  SING  N  N  132  
I0O  C49  H74  SING  N  N  133  
I0O  C49  H75  SING  N  N  134  
I0O  C50  H76  SING  N  N  135  
I0O  C50  H77  SING  N  N  136  
I0O  C50  H78  SING  N  N  137  
I0O  C8   H79  SING  N  N  138  
I0O  N16  H80  SING  N  N  139  
I0O  N16  H81  SING  N  N  140  
I0O  O14  H83  SING  N  N  141  
I0O  O15  H84  SING  N  N  142  
I0O  O3   H85  SING  N  N  143  
#   #
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
I0O  SMILES            ACDLabs               12.01  "OP(=O)(OC1OCC(N)C(O)C1O)OC\C=C(/C)CC\C=C(/C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)C"  
I0O  InChI             InChI                 1.03   "InChI=1S/C50H84NO7P/c1-38(2)19-11-20-39(3)21-12-22-40(4)23-13-24-41(5)25-14-26-42(6)27-15-28-43(7)29-16-30-44(8)31-17-32-45(9)33-18-34-46(10)35-36-57-59(54,55)58-50-49(53)48(52)47(51)37-56-50/h19,21,23,25,27,29,31,33,35,47-50,52-53H,11-18,20,22,24,26,28,30,32,34,36-37,51H2,1-10H3,(H,54,55)/b39-21+,40-23+,41-25+,42-27-,43-29-,44-31-,45-33+,46-35+/t47-,48-,49+,50-/m0/s1"  
I0O  InChIKey          InChI                 1.03   GWCJFQXZVUXOPR-BFSVMLBVSA-N  
I0O  SMILES_CANONICAL  CACTVS                3.385  "CC(C)=CCCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CC/C(C)=C/CC/C(C)=C/CO[P](O)(=O)O[C@@H]1OC[C@H](N)[C@H](O)[C@H]1O"  
I0O  SMILES            CACTVS                3.385  "CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCO[P](O)(=O)O[CH]1OC[CH](N)[CH](O)[CH]1O"  
I0O  SMILES_CANONICAL  "OpenEye OEToolkits"  2.0.7  "CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C/CC/C(=C/COP(=O)(O)O[C@H]1[C@@H]([C@H]([C@H](CO1)N)O)O)/C)/C)/C)/C)/C)/C)/C)/C)C"  
I0O  SMILES            "OpenEye OEToolkits"  2.0.7  "CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCOP(=O)(O)OC1C(C(C(CO1)N)O)O)C)C)C)C)C)C)C)C)C"  
#   #
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
I0O  "SYSTEMATIC NAME"  ACDLabs               12.01  "4-amino-4-deoxy-1-O-[(S)-hydroxy{[(2E,6E,10Z,14Z,18Z,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-yl]oxy}phosphoryl]-alpha-L-arabinopyranose"  
I0O  "SYSTEMATIC NAME"  "OpenEye OEToolkits"  2.0.7  "[(2~{S},3~{R},4~{S},5~{S})-5-azanyl-3,4-bis(oxidanyl)oxan-2-yl] [(2~{E},6~{E},10~{Z},14~{Z},18~{Z},22~{E},26~{E},30~{E})-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenyl] 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
I0O  "Create component"  2022-01-04  RCSB  
I0O  "Initial release"   2022-04-06  RCSB  
##
