data_YBG
#

_chem_comp.id                                   YBG
_chem_comp.name                                 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoinositol
_chem_comp.type                                 non-polymer
_chem_comp.pdbx_type                            HETAIN
_chem_comp.formula                              "C43 H81 O13 P"
_chem_comp.mon_nstd_parent_comp_id              ?
_chem_comp.pdbx_synonyms                        ?
_chem_comp.pdbx_formal_charge                   0
_chem_comp.pdbx_initial_date                    2021-02-16
_chem_comp.pdbx_modified_date                   2021-04-16
_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                       837.069
_chem_comp.one_letter_code                      ?
_chem_comp.three_letter_code                    YBG
_chem_comp.pdbx_model_coordinates_details       ?
_chem_comp.pdbx_model_coordinates_missing_flag  Y
_chem_comp.pdbx_ideal_coordinates_details       Corina
_chem_comp.pdbx_ideal_coordinates_missing_flag  N
_chem_comp.pdbx_model_coordinates_db_code       7LQY
_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
YBG  C4   C1   C  0  1  N  N  N  134.084  113.083  116.383   15.988   1.961  -1.917  C4   YBG    1  
YBG  C5   C2   C  0  1  N  N  N  135.012  112.594  115.280   16.521   0.528  -1.989  C5   YBG    2  
YBG  C6   C3   C  0  1  N  N  N  134.261  111.893  114.154   18.034   0.534  -1.763  C6   YBG    3  
YBG  C7   C4   C  0  1  N  N  N  133.064  112.694  113.659   18.566  -0.898  -1.836  C7   YBG    4  
YBG  C8   C5   C  0  1  N  N  N  132.407  112.028  112.458   20.080  -0.892  -1.610  C8   YBG    5  
YBG  C10  C6   C  0  1  N  N  N  134.048  113.369  119.993   11.656   3.928  -1.409  C10  YBG    6  
YBG  C13  C7   C  0  1  N  N  N  136.654  114.509  121.992    7.959   3.282  -0.649  C13  YBG    7  
YBG  C15  C8   C  0  1  N  N  N  137.351  112.128  122.533    5.752   2.642   0.332  C15  YBG    8  
YBG  C17  C9   C  0  1  N  N  N  137.938  111.477  124.896    3.546   2.002   1.314  C17  YBG    9  
YBG  C20  C10  C  0  1  N  N  N  135.372  111.896  127.535   -0.459   1.237   3.938  C20  YBG   10  
YBG  C21  C11  C  0  1  N  N  N  134.143  112.848  125.789   -2.598   1.303   2.889  C21  YBG   11  
YBG  C22  C12  C  0  1  N  N  N  132.884  112.603  124.975   -3.559   0.958   1.781  C22  YBG   12  
YBG  C24  C13  C  0  1  N  N  N  130.569  113.441  124.457   -5.904   1.224   0.959  C24  YBG   13  
YBG  C26  C14  C  0  1  N  N  N  129.502  111.920  122.744   -8.248   1.490   0.136  C26  YBG   14  
YBG  C28  C15  C  0  1  N  N  N  128.683  109.531  122.731  -10.592   1.755  -0.686  C28  YBG   15  
YBG  C1   C16  C  0  1  N  N  N  132.979  113.452  119.233   12.452   3.381  -2.293  C1   YBG   16  
YBG  C11  C17  C  0  1  N  N  N  134.376  114.528  120.925   10.165   3.922  -1.631  C11  YBG   17  
YBG  C12  C18  C  0  1  N  N  N  135.196  114.091  122.131    9.472   3.288  -0.424  C12  YBG   18  
YBG  C14  C19  C  0  1  N  N  N  137.595  113.611  122.787    7.266   2.648   0.558  C14  YBG   19  
YBG  C16  C20  C  0  1  N  N  N  138.236  111.259  123.418    5.059   2.008   1.540  C16  YBG   20  
YBG  C18  C21  C  0  1  N  N  N  137.564  110.165  125.570    2.863   1.377   2.504  C18  YBG   21  
YBG  C19  C22  C  0  1  N  N  S  136.711  111.175  127.576    0.936   0.653   3.705  C19  YBG   22  
YBG  C2   C23  C  0  1  N  N  N  132.617  112.314  118.285   13.943   3.387  -2.070  C2   YBG   23  
YBG  C23  C24  C  0  1  N  N  N  131.937  113.792  125.027   -4.927   1.574   2.084  C23  YBG   24  
YBG  C25  C25  C  0  1  N  N  N  130.674  112.844  123.058   -7.271   1.839   1.261  C25  YBG   25  
YBG  C27  C26  C  0  1  N  N  N  129.683  110.521  123.327   -9.616   2.105   0.439  C27  YBG   26  
YBG  C29  C27  C  0  1  N  N  N  129.164  108.085  122.802  -11.960   2.371  -0.384  C29  YBG   27  
YBG  C3   C28  C  0  1  N  N  N  133.777  111.961  117.365   14.475   1.954  -2.143  C3   YBG   28  
YBG  C37  C29  C  0  1  N  N  N  136.915  110.633  128.988    0.828  -0.859   3.494  C37  YBG   29  
YBG  C38  C30  C  0  1  N  N  N  135.238  109.522  132.586   -1.811  -3.692  -0.093  C38  YBG   30  
YBG  C39  C31  C  0  1  N  N  R  135.327  108.805  133.937   -1.331  -3.570  -1.541  C39  YBG   31  
YBG  C40  C32  C  0  1  N  N  S  133.951  108.360  134.413   -1.769  -4.805  -2.330  C40  YBG   32  
YBG  C41  C33  C  0  1  N  N  N  133.075  109.584  134.666   -3.295  -4.911  -2.306  C41  YBG   33  
YBG  C42  C34  C  0  1  N  N  R  132.967  110.549  133.476   -3.775  -5.034  -0.858  C42  YBG   34  
YBG  C43  C35  C  0  1  N  N  R  134.152  110.605  132.487   -3.338  -3.798  -0.069  C43  YBG   35  
YBG  C9   C36  C  0  1  N  N  N  130.995  111.566  112.793   20.612  -2.325  -1.682  C9   YBG   36  
YBG  O1   O1   O  0  1  N  N  N  138.021  109.164  125.135    3.519   0.978   3.436  O1   YBG   37  
YBG  O10  O2   O  0  1  N  N  N  134.109  107.672  135.625   -1.201  -5.975  -1.737  O10  YBG   38  
YBG  O11  O3   O  0  1  N  N  N  133.626  110.290  135.744   -3.704  -6.065  -3.043  O11  YBG   39  
YBG  O12  O4   O  0  1  N  N  N  132.832  111.833  134.023   -3.207  -6.204  -0.266  O12  YBG   40  
YBG  O13  O5   O  0  1  N  N  N  134.771  111.857  132.632   -3.786  -3.913   1.283  O13  YBG   41  
YBG  O2   O6   O  0  1  N  N  N  136.685  110.114  126.664    1.526   1.265   2.527  O2   YBG   42  
YBG  O3   O7   O  0  1  N  N  N  134.883  111.757  126.240   -1.329   0.867   2.837  O3   YBG   43  
YBG  O4   O8   O  0  1  N  N  N  134.487  113.952  126.032   -2.968   1.972   3.825  O4   YBG   44  
YBG  O5   O9   O  0  1  N  N  N  135.719  110.122  129.505   -0.088  -1.127   2.430  O5   YBG   45  
YBG  O6   O10  O  0  1  N  N  N  135.112  107.642  129.235    0.801  -3.332   1.584  O6   YBG   46  
YBG  O7   O11  O  0  1  N  N  N  137.203  108.220  130.377   -1.203  -3.407   3.117  O7   YBG   47  
YBG  O8   O12  O  0  1  N  N  N  134.966  108.565  131.604   -1.402  -2.538   0.644  O8   YBG   48  
YBG  O9   O13  O  0  1  N  N  N  136.125  107.663  133.788   -1.899  -2.400  -2.134  O9   YBG   49  
YBG  P1   P1   P  0  1  N  N  N  135.768  108.619  130.170   -0.446  -2.617   1.936  P1   YBG   50  
YBG  H1   H1   H  0  1  N  N  N  134.568  113.911  116.921   16.207   2.380  -0.935  H1   YBG   51  
YBG  H2   H2   H  0  1  N  N  N  133.144  113.437  115.934   16.468   2.566  -2.686  H2   YBG   52  
YBG  H3   H3   H  0  1  N  N  N  135.735  111.888  115.715   16.041  -0.077  -1.220  H3   YBG   53  
YBG  H4   H4   H  0  1  N  N  N  135.549  113.458  114.862   16.302   0.108  -2.971  H4   YBG   54  
YBG  H5   H5   H  0  1  N  N  N  133.905  110.919  114.521   18.514   1.139  -2.533  H5   YBG   55  
YBG  H6   H6   H  0  1  N  N  N  134.953  111.738  113.313   18.253   0.954  -0.782  H6   YBG   56  
YBG  H7   H7   H  0  1  N  N  N  133.402  113.700  113.370   18.087  -1.503  -1.066  H7   YBG   57  
YBG  H8   H8   H  0  1  N  N  N  132.327  112.774  114.471   18.347  -1.318  -2.817  H8   YBG   58  
YBG  H9   H9   H  0  1  N  N  N  133.008  111.157  112.156   20.559  -0.287  -2.379  H9   YBG   59  
YBG  H10  H10  H  0  1  N  N  N  132.362  112.748  111.628   20.299  -0.472  -0.628  H10  YBG   60  
YBG  H11  H11  H  0  1  N  N  N  134.682  112.495  119.957   12.067   4.384  -0.520  H11  YBG   61  
YBG  H12  H12  H  0  1  N  N  N  136.935  114.462  120.930    7.606   4.306  -0.775  H12  YBG   62  
YBG  H13  H13  H  0  1  N  N  N  136.761  115.542  122.355    7.727   2.705  -1.545  H13  YBG   63  
YBG  H14  H14  H  0  1  N  N  N  136.297  111.897  122.745    5.399   3.665   0.207  H14  YBG   64  
YBG  H15  H15  H  0  1  N  N  N  137.570  111.905  121.478    5.521   2.065  -0.563  H15  YBG   65  
YBG  H16  H16  H  0  1  N  N  N  138.830  111.893  125.386    3.193   3.025   1.189  H16  YBG   66  
YBG  H17  H17  H  0  1  N  N  N  137.102  112.185  124.995    3.315   1.425   0.419  H17  YBG   67  
YBG  H18  H18  H  0  1  N  N  N  135.507  112.961  127.777   -0.865   0.844   4.871  H18  YBG   68  
YBG  H19  H19  H  0  1  N  N  N  134.675  111.442  128.254   -0.392   2.323   4.000  H19  YBG   69  
YBG  H20  H20  H  0  1  N  N  N  132.367  111.719  125.376   -3.183   1.354   0.838  H20  YBG   70  
YBG  H21  H21  H  0  1  N  N  N  133.167  112.419  123.928   -3.656  -0.125   1.708  H21  YBG   71  
YBG  H22  H22  H  0  1  N  N  N  129.958  114.355  124.409   -5.528   1.619   0.015  H22  YBG   72  
YBG  H23  H23  H  0  1  N  N  N  130.084  112.710  125.120   -6.001   0.141   0.886  H23  YBG   73  
YBG  H24  H24  H  0  1  N  N  N  128.585  112.360  123.163   -7.872   1.885  -0.807  H24  YBG   74  
YBG  H25  H25  H  0  1  N  N  N  129.403  111.836  121.652   -8.345   0.406   0.063  H25  YBG   75  
YBG  H26  H26  H  0  1  N  N  N  128.516  109.794  121.676  -10.216   2.151  -1.630  H26  YBG   76  
YBG  H27  H27  H  0  1  N  N  N  127.736  109.613  123.284  -10.689   0.672  -0.759  H27  YBG   77  
YBG  H28  H28  H  0  1  N  N  N  132.353  114.331  119.280   12.041   2.924  -3.181  H28  YBG   78  
YBG  H29  H29  H  0  1  N  N  N  134.948  115.281  120.364    9.812   4.946  -1.757  H29  YBG   79  
YBG  H30  H30  H  0  1  N  N  N  133.435  114.972  121.281    9.934   3.346  -2.527  H30  YBG   80  
YBG  H31  H31  H  0  1  N  N  N  134.776  114.553  123.036    9.703   3.865   0.472  H31  YBG   81  
YBG  H32  H32  H  0  1  N  N  N  135.145  112.996  122.221    9.825   2.265  -0.298  H32  YBG   82  
YBG  H33  H33  H  0  1  N  N  N  138.631  113.850  122.505    7.618   1.625   0.684  H33  YBG   83  
YBG  H34  H34  H  0  1  N  N  N  137.451  113.812  123.859    7.497   3.225   1.454  H34  YBG   84  
YBG  H35  H35  H  0  1  N  N  N  138.060  110.202  123.171    5.412   0.984   1.666  H35  YBG   85  
YBG  H36  H36  H  0  1  N  N  N  139.290  111.510  123.225    5.290   2.585   2.436  H36  YBG   86  
YBG  H37  H37  H  0  1  N  N  N  137.517  111.885  127.338    1.564   0.855   4.572  H37  YBG   87  
YBG  H38  H38  H  0  1  N  N  N  131.756  112.620  117.673   14.422   3.992  -2.840  H38  YBG   88  
YBG  H39  H39  H  0  1  N  N  N  132.349  111.427  118.878   14.162   3.807  -1.089  H39  YBG   89  
YBG  H40  H40  H  0  1  N  N  N  132.367  114.618  124.441   -5.303   1.178   3.027  H40  YBG   90  
YBG  H41  H41  H  0  1  N  N  N  131.818  114.108  126.074   -4.830   2.657   2.157  H41  YBG   91  
YBG  H42  H42  H  0  1  N  N  N  131.609  112.269  122.986   -7.647   1.444   2.205  H42  YBG   92  
YBG  H43  H43  H  0  1  N  N  N  130.689  113.662  122.323   -7.174   2.923   1.334  H43  YBG   93  
YBG  H44  H44  H  0  1  N  N  N  129.535  110.566  124.416   -9.991   1.709   1.382  H44  YBG   94  
YBG  H45  H45  H  0  1  N  N  N  130.703  110.173  123.109   -9.518   3.188   0.512  H45  YBG   95  
YBG  H46  H46  H  0  1  N  N  N  130.198  108.006  122.436  -12.336   1.975   0.560  H46  YBG   96  
YBG  H47  H47  H  0  1  N  N  N  129.112  107.713  123.836  -11.863   3.454  -0.311  H47  YBG   97  
YBG  H49  H49  H  0  1  N  N  N  133.519  111.054  116.799   14.256   1.534  -3.125  H49  YBG   98  
YBG  H50  H50  H  0  1  N  N  N  134.671  111.769  117.977   13.995   1.349  -1.373  H50  YBG   99  
YBG  H51  H51  H  0  1  N  N  N  137.667  109.831  128.961    1.808  -1.261   3.240  H51  YBG  100  
YBG  H52  H52  H  0  1  N  N  N  137.270  111.446  129.638    0.468  -1.328   4.410  H52  YBG  101  
YBG  H53  H53  H  0  1  N  N  N  136.210  109.996  132.387   -1.378  -4.584   0.359  H53  YBG  102  
YBG  H54  H54  H  0  1  N  N  N  135.760  109.492  134.679   -0.244  -3.494  -1.558  H54  YBG  103  
YBG  H55  H55  H  0  1  N  N  N  133.483  107.723  133.648   -1.427  -4.718  -3.361  H55  YBG  104  
YBG  H56  H56  H  0  1  N  N  N  132.062  109.238  134.921   -3.728  -4.019  -2.758  H56  YBG  105  
YBG  H57  H57  H  0  1  N  N  N  132.062  110.289  132.907   -4.863  -5.109  -0.841  H57  YBG  106  
YBG  H58  H58  H  0  1  N  N  N  133.726  110.540  131.475   -3.771  -2.906  -0.521  H58  YBG  107  
YBG  H59  H59  H  0  1  N  N  N  130.545  111.090  111.909   20.132  -2.930  -0.913  H59  YBG  108  
YBG  H60  H60  H  0  1  N  N  N  131.033  110.842  113.620   20.393  -2.744  -2.664  H60  YBG  109  
YBG  H61  H61  H  0  1  N  N  N  130.387  112.433  113.092   21.690  -2.320  -1.521  H61  YBG  110  
YBG  H62  H62  H  0  1  N  N  N  133.260  107.385  135.940   -1.437  -6.798  -2.187  H62  YBG  111  
YBG  H63  H63  H  0  1  N  N  N  133.703  109.713  136.495   -4.662  -6.196  -3.070  H63  YBG  112  
YBG  H64  H64  H  0  1  N  N  N  132.110  111.841  134.640   -3.443  -7.027  -0.715  H64  YBG  113  
YBG  H65  H65  H  0  1  N  N  N  134.116  112.543  132.574   -4.746  -3.984   1.374  H65  YBG  114  
YBG  H66  H66  H  0  1  N  N  N  137.390  107.436  129.874   -2.030  -2.994   3.399  H66  YBG  115  
YBG  H67  H67  H  0  1  N  N  N  136.188  107.209  134.620   -1.637  -2.259  -3.054  H67  YBG  116  
YBG  C30  C37  C  0  1  N  N  N        ?        ?        ?  -12.936   2.021  -1.509  C30  YBG  117  
YBG  C31  C38  C  0  1  N  N  N        ?        ?        ?  -14.304   2.636  -1.206  C31  YBG  118  
YBG  C32  C39  C  0  1  N  N  N        ?        ?        ?  -15.280   2.286  -2.331  C32  YBG  119  
YBG  C33  C40  C  0  1  N  N  N        ?        ?        ?  -16.648   2.902  -2.029  C33  YBG  120  
YBG  C34  C41  C  0  1  N  N  N        ?        ?        ?  -17.625   2.552  -3.154  C34  YBG  121  
YBG  C35  C42  C  0  1  N  N  N        ?        ?        ?  -18.992   3.167  -2.851  C35  YBG  122  
YBG  C36  C43  C  0  1  N  N  N        ?        ?        ?  -19.969   2.817  -3.976  C36  YBG  123  
YBG  H48  H48  H  0  1  N  N  N        ?        ?        ?  -12.560   2.416  -2.452  H48  YBG  124  
YBG  H68  H68  H  0  1  N  N  N        ?        ?        ?  -13.033   0.937  -1.582  H68  YBG  125  
YBG  H69  H69  H  0  1  N  N  N        ?        ?        ?  -14.680   2.241  -0.263  H69  YBG  126  
YBG  H70  H70  H  0  1  N  N  N        ?        ?        ?  -14.207   3.719  -1.133  H70  YBG  127  
YBG  H71  H71  H  0  1  N  N  N        ?        ?        ?  -14.905   2.682  -3.275  H71  YBG  128  
YBG  H72  H72  H  0  1  N  N  N        ?        ?        ?  -15.377   1.203  -2.404  H72  YBG  129  
YBG  H73  H73  H  0  1  N  N  N        ?        ?        ?  -17.024   2.506  -1.085  H73  YBG  130  
YBG  H74  H74  H  0  1  N  N  N        ?        ?        ?  -16.551   3.985  -1.956  H74  YBG  131  
YBG  H75  H75  H  0  1  N  N  N        ?        ?        ?  -17.249   2.947  -4.097  H75  YBG  132  
YBG  H76  H76  H  0  1  N  N  N        ?        ?        ?  -17.722   1.469  -3.227  H76  YBG  133  
YBG  H77  H77  H  0  1  N  N  N        ?        ?        ?  -19.368   2.772  -1.908  H77  YBG  134  
YBG  H78  H78  H  0  1  N  N  N        ?        ?        ?  -18.895   4.250  -2.778  H78  YBG  135  
YBG  H79  H79  H  0  1  N  N  N        ?        ?        ?  -20.943   3.256  -3.761  H79  YBG  136  
YBG  H80  H80  H  0  1  N  N  N        ?        ?        ?  -19.593   3.213  -4.920  H80  YBG  137  
YBG  H81  H81  H  0  1  N  N  N        ?        ?        ?  -20.066   1.734  -4.049  H81  YBG  138  
#   #
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
YBG  C8   C9   SING  N  N    1  
YBG  C8   C7   SING  N  N    2  
YBG  C7   C6   SING  N  N    3  
YBG  C6   C5   SING  N  N    4  
YBG  C5   C4   SING  N  N    5  
YBG  C4   C3   SING  N  N    6  
YBG  C3   C2   SING  N  N    7  
YBG  C2   C1   SING  N  N    8  
YBG  C1   C10  DOUB  N  E    9  
YBG  C10  C11  SING  N  N   10  
YBG  C11  C12  SING  N  N   11  
YBG  C13  C12  SING  N  N   12  
YBG  C13  C14  SING  N  N   13  
YBG  C15  C14  SING  N  N   14  
YBG  C15  C16  SING  N  N   15  
YBG  C28  C29  SING  N  N   16  
YBG  C28  C27  SING  N  N   17  
YBG  C26  C25  SING  N  N   18  
YBG  C26  C27  SING  N  N   19  
YBG  C25  C24  SING  N  N   20  
YBG  C16  C17  SING  N  N   21  
YBG  C24  C23  SING  N  N   22  
YBG  C17  C18  SING  N  N   23  
YBG  C22  C23  SING  N  N   24  
YBG  C22  C21  SING  N  N   25  
YBG  O1   C18  DOUB  N  N   26  
YBG  C18  O2   SING  N  N   27  
YBG  C21  O4   DOUB  N  N   28  
YBG  C21  O3   SING  N  N   29  
YBG  O3   C20  SING  N  N   30  
YBG  O2   C19  SING  N  N   31  
YBG  C20  C19  SING  N  N   32  
YBG  C19  C37  SING  N  N   33  
YBG  C37  O5   SING  N  N   34  
YBG  O6   P1   DOUB  N  N   35  
YBG  O5   P1   SING  N  N   36  
YBG  P1   O7   SING  N  N   37  
YBG  P1   O8   SING  N  N   38  
YBG  O8   C38  SING  N  N   39  
YBG  C43  C38  SING  N  N   40  
YBG  C43  O13  SING  N  N   41  
YBG  C43  C42  SING  N  N   42  
YBG  C38  C39  SING  N  N   43  
YBG  C42  O12  SING  N  N   44  
YBG  C42  C41  SING  N  N   45  
YBG  O9   C39  SING  N  N   46  
YBG  C39  C40  SING  N  N   47  
YBG  C40  C41  SING  N  N   48  
YBG  C40  O10  SING  N  N   49  
YBG  C41  O11  SING  N  N   50  
YBG  C4   H1   SING  N  N   51  
YBG  C4   H2   SING  N  N   52  
YBG  C5   H3   SING  N  N   53  
YBG  C5   H4   SING  N  N   54  
YBG  C6   H5   SING  N  N   55  
YBG  C6   H6   SING  N  N   56  
YBG  C7   H7   SING  N  N   57  
YBG  C7   H8   SING  N  N   58  
YBG  C8   H9   SING  N  N   59  
YBG  C8   H10  SING  N  N   60  
YBG  C10  H11  SING  N  N   61  
YBG  C13  H12  SING  N  N   62  
YBG  C13  H13  SING  N  N   63  
YBG  C15  H14  SING  N  N   64  
YBG  C15  H15  SING  N  N   65  
YBG  C17  H16  SING  N  N   66  
YBG  C17  H17  SING  N  N   67  
YBG  C20  H18  SING  N  N   68  
YBG  C20  H19  SING  N  N   69  
YBG  C22  H20  SING  N  N   70  
YBG  C22  H21  SING  N  N   71  
YBG  C24  H22  SING  N  N   72  
YBG  C24  H23  SING  N  N   73  
YBG  C26  H24  SING  N  N   74  
YBG  C26  H25  SING  N  N   75  
YBG  C28  H26  SING  N  N   76  
YBG  C28  H27  SING  N  N   77  
YBG  C1   H28  SING  N  N   78  
YBG  C11  H29  SING  N  N   79  
YBG  C11  H30  SING  N  N   80  
YBG  C12  H31  SING  N  N   81  
YBG  C12  H32  SING  N  N   82  
YBG  C14  H33  SING  N  N   83  
YBG  C14  H34  SING  N  N   84  
YBG  C16  H35  SING  N  N   85  
YBG  C16  H36  SING  N  N   86  
YBG  C19  H37  SING  N  N   87  
YBG  C2   H38  SING  N  N   88  
YBG  C2   H39  SING  N  N   89  
YBG  C23  H40  SING  N  N   90  
YBG  C23  H41  SING  N  N   91  
YBG  C25  H42  SING  N  N   92  
YBG  C25  H43  SING  N  N   93  
YBG  C27  H44  SING  N  N   94  
YBG  C27  H45  SING  N  N   95  
YBG  C29  H46  SING  N  N   96  
YBG  C29  H47  SING  N  N   97  
YBG  C3   H49  SING  N  N   98  
YBG  C3   H50  SING  N  N   99  
YBG  C37  H51  SING  N  N  100  
YBG  C37  H52  SING  N  N  101  
YBG  C38  H53  SING  N  N  102  
YBG  C39  H54  SING  N  N  103  
YBG  C40  H55  SING  N  N  104  
YBG  C41  H56  SING  N  N  105  
YBG  C42  H57  SING  N  N  106  
YBG  C43  H58  SING  N  N  107  
YBG  C9   H59  SING  N  N  108  
YBG  C9   H60  SING  N  N  109  
YBG  C9   H61  SING  N  N  110  
YBG  O10  H62  SING  N  N  111  
YBG  O11  H63  SING  N  N  112  
YBG  O12  H64  SING  N  N  113  
YBG  O13  H65  SING  N  N  114  
YBG  O7   H66  SING  N  N  115  
YBG  O9   H67  SING  N  N  116  
YBG  C29  C30  SING  N  N  117  
YBG  C30  C31  SING  N  N  118  
YBG  C31  C32  SING  N  N  119  
YBG  C32  C33  SING  N  N  120  
YBG  C33  C34  SING  N  N  121  
YBG  C34  C35  SING  N  N  122  
YBG  C35  C36  SING  N  N  123  
YBG  C30  H48  SING  N  N  124  
YBG  C30  H68  SING  N  N  125  
YBG  C31  H69  SING  N  N  126  
YBG  C31  H70  SING  N  N  127  
YBG  C32  H71  SING  N  N  128  
YBG  C32  H72  SING  N  N  129  
YBG  C33  H73  SING  N  N  130  
YBG  C33  H74  SING  N  N  131  
YBG  C34  H75  SING  N  N  132  
YBG  C34  H76  SING  N  N  133  
YBG  C35  H77  SING  N  N  134  
YBG  C35  H78  SING  N  N  135  
YBG  C36  H79  SING  N  N  136  
YBG  C36  H80  SING  N  N  137  
YBG  C36  H81  SING  N  N  138  
#   #
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
YBG  InChI             InChI                 1.03   "InChI=1S/C43H81O13P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(45)55-35(34-54-57(51,52)56-43-41(49)39(47)38(46)40(48)42(43)50)33-53-36(44)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,35,38-43,46-50H,3-16,19-34H2,1-2H3,(H,51,52)/b18-17+/t35-,38-,39+,40-,41+,42+,43-/m0/s1"  
YBG  InChIKey          InChI                 1.03   PDLAMJKMOKWLAJ-QDJAQJDBSA-N  
YBG  SMILES_CANONICAL  CACTVS                3.385  "CCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[P](O)(=O)O[C@@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C/CCCCCCCC"  
YBG  SMILES            CACTVS                3.385  "CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)O[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1O)OC(=O)CCCCCCCC=CCCCCCCCC"  
YBG  SMILES_CANONICAL  "OpenEye OEToolkits"  2.0.7  "CCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)O)O)O)OC(=O)CCCCCCC/C=C/CCCCCCCC"  
YBG  SMILES            "OpenEye OEToolkits"  2.0.7  "CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OC1C(C(C(C(C1O)O)O)O)O)OC(=O)CCCCCCCC=CCCCCCCCC"  
#
_pdbx_chem_comp_identifier.comp_id          YBG
_pdbx_chem_comp_identifier.type             "SYSTEMATIC NAME"
_pdbx_chem_comp_identifier.program          "OpenEye OEToolkits"
_pdbx_chem_comp_identifier.program_version  2.0.7
_pdbx_chem_comp_identifier.identifier       "[(2~{S})-1-hexadecanoyloxy-3-[oxidanyl-[(2~{R},3~{S},5~{R},6~{R})-2,3,4,5,6-pentakis(oxidanyl)cyclohexyl]oxy-phosphoryl]oxy-propan-2-yl] (~{E})-octadec-9-enoate"
#
_pdbx_chem_comp_synonyms.ordinal     1
_pdbx_chem_comp_synonyms.comp_id     YBG
_pdbx_chem_comp_synonyms.name        "[(2~{S})-1-hexadecanoyloxy-3-[oxidanyl-[(2~{R},3~{S},5~{R},6~{R})-2,3,4,5,6-pentakis(oxidanyl)cyclohexyl]oxy-phosphoryl]oxy-propan-2-yl] (~{E})-octadec-9-enoate"
_pdbx_chem_comp_synonyms.provenance  PDB
_pdbx_chem_comp_synonyms.type        ?
#   #
loop_
_pdbx_chem_comp_audit.comp_id
_pdbx_chem_comp_audit.action_type
_pdbx_chem_comp_audit.date
_pdbx_chem_comp_audit.processing_site
YBG  "Create component"  2021-02-16  RCSB  
YBG  "Initial release"   2021-04-21  RCSB  
##
