data_PCW
#

_chem_comp.id                                   PCW
_chem_comp.name                                 "1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE"
_chem_comp.type                                 NON-POLYMER
_chem_comp.pdbx_type                            HETAIN
_chem_comp.formula                              "C44 H85 N O8 P"
_chem_comp.mon_nstd_parent_comp_id              ?
_chem_comp.pdbx_synonyms                        "(Z,Z)-4-HYDROXY-N,N,N-TRIMETHYL-10-OXO-7-[(1-OXO-9-OCTADECENYL)OXY]-3,5,9-TRIOXA-4-PHOSPHAHEPTACOS-18-EN-1-AMINIUM-4-OXIDE"
_chem_comp.pdbx_formal_charge                   1
_chem_comp.pdbx_initial_date                    2004-04-28
_chem_comp.pdbx_modified_date                   2021-03-13
_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                       787.121
_chem_comp.one_letter_code                      ?
_chem_comp.three_letter_code                    PCW
_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       1T27
_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
PCW  C1    C1    C  0  1  N  N  N   7.071  13.069   3.994   -0.532  -4.697   0.784  C1    PCW    1  
PCW  C2    C2    C  0  1  N  N  R   6.935  13.951   5.235   -1.206  -4.035   1.988  C2    PCW    2  
PCW  C3    C3    C  0  1  N  N  N   6.810  15.418   4.807   -0.137  -3.483   2.932  C3    PCW    3  
PCW  C4    C4    C  0  1  N  N  N   2.676  14.086   3.574    2.770  -4.336  -2.787  C4    PCW    4  
PCW  C5    C5    C  0  1  N  N  N   1.515  13.914   2.531    3.841  -3.484  -3.471  C5    PCW    5  
PCW  C6    C6    C  0  1  N  N  N  -0.807  13.347   2.160    5.556  -4.497  -2.134  C6    PCW    6  
PCW  C7    C7    C  0  1  N  N  N   0.343  12.151   3.907    5.943  -2.369  -3.170  C7    PCW    7  
PCW  C8    C8    C  0  1  N  N  N  -0.258  14.502   4.194    4.408  -2.548  -1.336  C8    PCW    8  
PCW  C11   C11   C  0  1  N  N  N   8.200  16.971   6.195    1.762  -1.985   2.827  C11   PCW    9  
PCW  C12   C12   C  0  1  N  N  N   8.246  17.711   7.516    2.674  -1.058   2.065  C12   PCW   10  
PCW  C13   C13   C  0  1  N  N  N   9.049  19.005   7.417    3.744  -0.506   3.009  C13   PCW   11  
PCW  C14   C14   C  0  1  N  N  N  10.368  18.960   8.177    4.670   0.435   2.236  C14   PCW   12  
PCW  C15   C15   C  0  1  N  N  N  11.527  18.442   7.337    5.740   0.987   3.180  C15   PCW   13  
PCW  C16   C16   C  0  1  N  N  N  12.815  18.258   8.120    6.666   1.928   2.406  C16   PCW   14  
PCW  C17   C17   C  0  1  N  N  N  13.993  19.012   7.523    7.736   2.481   3.351  C17   PCW   15  
PCW  C18   C18   C  0  1  N  N  N  14.132  20.431   8.057    8.662   3.421   2.577  C18   PCW   16  
PCW  C19   C19   C  0  1  N  N  N  15.585  20.919   7.882    9.716   3.966   3.507  C19   PCW   17  
PCW  C20   C20   C  0  1  N  N  N  15.762  22.189   7.427   10.983   3.856   3.196  C20   PCW   18  
PCW  C21   C21   C  0  1  N  N  N  14.492  23.014   7.133   11.384   3.348   1.835  C21   PCW   19  
PCW  C22   C22   C  0  1  N  N  N  14.687  23.830   5.864   12.362   4.333   1.191  C22   PCW   20  
PCW  C23   C23   C  0  1  N  N  N  14.668  25.329   6.109   12.769   3.818  -0.191  C23   PCW   21  
PCW  C24   C24   C  0  1  N  N  N  14.685  26.145   4.831   13.746   4.803  -0.836  C24   PCW   22  
PCW  C25   C25   C  0  1  N  N  N  16.071  26.634   4.447   14.153   4.287  -2.217  C25   PCW   23  
PCW  C26   C26   C  0  1  N  N  N  16.041  27.865   3.562   15.131   5.272  -2.862  C26   PCW   24  
PCW  C27   C27   C  0  1  N  N  N  16.410  29.141   4.296   15.538   4.756  -4.243  C27   PCW   25  
PCW  C28   C28   C  0  1  N  N  N  17.414  29.942   3.478   16.515   5.741  -4.888  C28   PCW   26  
PCW  C31   C31   C  0  1  N  N  N   5.644  12.617   6.906   -3.341  -3.187   1.224  C31   PCW   27  
PCW  C32   C32   C  0  1  N  N  N   4.402  12.683   7.762   -4.222  -2.061   0.750  C32   PCW   28  
PCW  C33   C33   C  0  1  N  N  N   4.613  13.581   8.978   -5.629  -2.596   0.472  C33   PCW   29  
PCW  C34   C34   C  0  1  N  N  N   4.178  15.032   8.761   -6.524  -1.452  -0.010  C34   PCW   30  
PCW  C35   C35   C  0  1  N  N  N   3.752  15.751  10.040   -7.930  -1.987  -0.288  C35   PCW   31  
PCW  C36   C36   C  0  1  N  N  N   4.915  16.209  10.911   -8.825  -0.844  -0.770  C36   PCW   32  
PCW  C37   C37   C  0  1  N  N  N   4.843  17.675  11.307  -10.231  -1.379  -1.048  C37   PCW   33  
PCW  C38   C38   C  0  1  N  N  N   6.192  18.375  11.266  -11.126  -0.236  -1.530  C38   PCW   34  
PCW  C39   C39   C  0  1  N  N  N   6.075  19.774  11.907  -12.511  -0.763  -1.804  C39   PCW   35  
PCW  C40   C40   C  0  1  N  N  N   7.232  20.378  12.306  -13.550  -0.193  -1.246  C40   PCW   36  
PCW  C41   C41   C  0  1  N  N  N   8.551  19.603  12.080  -13.383   1.092  -0.477  C41   PCW   37  
PCW  C42   C42   C  0  1  N  N  N   9.554  19.960  13.171  -14.361   2.139  -1.014  C42   PCW   38  
PCW  C43   C43   C  0  1  N  N  N  10.960  19.440  12.900  -14.191   3.443  -0.233  C43   PCW   39  
PCW  C44   C44   C  0  1  N  N  N  11.917  20.513  12.402  -15.169   4.490  -0.771  C44   PCW   40  
PCW  C45   C45   C  0  1  N  N  N  13.272  19.965  11.973  -14.999   5.795   0.010  C45   PCW   41  
PCW  C46   C46   C  0  1  N  N  N  14.451  20.716  12.579  -15.977   6.842  -0.527  C46   PCW   42  
PCW  C47   C47   C  0  1  N  N  N  15.737  19.895  12.633  -15.807   8.147   0.254  C47   PCW   43  
PCW  C48   C48   C  0  1  N  N  N  16.300  19.730  14.039  -16.785   9.194  -0.284  C48   PCW   44  
PCW  N     N     N  1  1  N  N  N   0.221  13.477   3.222    4.937  -3.224  -2.528  N     PCW   45  
PCW  O2    O2    O  0  1  N  N  N   5.689  13.695   5.822   -2.056  -2.950   1.530  O2    PCW   46  
PCW  O3    O3    O  0  1  N  N  N   6.863  16.287   5.938    0.742  -2.590   2.198  O3    PCW   47  
PCW  O11   O11   O  0  1  N  N  N   9.187  16.945   5.440    1.948  -2.183   4.004  O11   PCW   48  
PCW  O31   O31   O  0  1  N  N  N   6.501  11.741   7.100   -3.791  -4.303   1.330  O31   PCW   49  
PCW  O1P   O1P   O  0  1  N  N  N   5.086  11.084   3.716   -0.112  -4.876  -2.176  O1P   PCW   50  
PCW  O2P   O2P   O  0  1  N  N  N   4.243  12.170   1.709    1.665  -5.771  -0.623  O2P   PCW   51  
PCW  O3P   O3P   O  0  1  N  N  N   5.997  13.349   3.062    0.352  -3.763   0.160  O3P   PCW   52  
PCW  O4P   O4P   O  0  1  N  N  N   3.391  12.880   3.925    2.131  -3.568  -1.765  O4P   PCW   53  
PCW  P     P     P  0  1  N  N  S   4.679  12.375   3.106    1.023  -4.522  -1.091  P     PCW   54  
PCW  H11   1H1   H  0  1  N  N  N   8.073  13.171   3.517    0.035  -5.566   1.118  H11   PCW   55  
PCW  H12   2H1   H  0  1  N  N  N   7.124  11.986   4.255   -1.292  -5.012   0.069  H12   PCW   56  
PCW  H2    H2    H  0  1  N  N  N   7.808  13.755   5.900   -1.811  -4.772   2.516  H2    PCW   57  
PCW  H31   1H3   H  0  1  N  N  N   7.575  15.690   4.043    0.445  -4.307   3.344  H31   PCW   58  
PCW  H32   2H3   H  0  1  N  N  N   5.892  15.591   4.197   -0.616  -2.934   3.743  H32   PCW   59  
PCW  H41   1H4   H  0  1  N  N  N   3.393  14.862   3.219    3.235  -5.216  -2.343  H41   PCW   60  
PCW  H42   2H4   H  0  1  N  N  N   2.288  14.579   4.495    2.030  -4.649  -3.523  H42   PCW   61  
PCW  H51   1H5   H  0  1  N  N  N   1.366  14.837   1.924    4.228  -4.015  -4.340  H51   PCW   62  
PCW  H52   2H5   H  0  1  N  N  N   1.799  13.215   1.709    3.403  -2.537  -3.789  H52   PCW   63  
PCW  H61   1H6   H  0  1  N  N  N  -1.749  13.028   2.663    5.948  -4.999  -3.018  H61   PCW   64  
PCW  H62   2H6   H  0  1  N  N  N  -0.925  14.270   1.547    6.369  -4.305  -1.434  H62   PCW   65  
PCW  H63   3H6   H  0  1  N  N  N  -0.499  12.667   1.331    4.809  -5.132  -1.658  H63   PCW   66  
PCW  H71   1H7   H  0  1  N  N  N  -0.599  11.832   4.410    5.484  -1.424  -3.463  H71   PCW   67  
PCW  H72   2H7   H  0  1  N  N  N   0.699  11.367   3.198    6.757  -2.176  -2.470  H72   PCW   68  
PCW  H73   3H7   H  0  1  N  N  N   1.197  12.150   4.623    6.336  -2.871  -4.055  H73   PCW   69  
PCW  H81   1H8   H  0  1  N  N  N  -1.200  14.183   4.697    3.800  -3.247  -0.762  H81   PCW   70  
PCW  H82   2H8   H  0  1  N  N  N   0.532  14.759   4.936    5.235  -2.195  -0.721  H82   PCW   71  
PCW  H83   3H8   H  0  1  N  N  N  -0.372  15.499   3.709    3.795  -1.700  -1.642  H83   PCW   72  
PCW  H121  1H12  H  0  0  N  N  N   7.220  17.900   7.910    2.093  -0.234   1.653  H121  PCW   73  
PCW  H122  2H12  H  0  0  N  N  N   8.630  17.057   8.333    3.154  -1.607   1.254  H122  PCW   74  
PCW  H131  1H13  H  0  0  N  N  N   9.216  19.285   6.350    4.325  -1.330   3.422  H131  PCW   75  
PCW  H132  2H13  H  0  0  N  N  N   8.435  19.876   7.742    3.264   0.042   3.820  H132  PCW   76  
PCW  H141  1H14  H  0  0  N  N  N  10.608  19.957   8.612    4.089   1.259   1.823  H141  PCW   77  
PCW  H142  2H14  H  0  0  N  N  N  10.264  18.369   9.116    5.150  -0.113   1.425  H142  PCW   78  
PCW  H151  1H15  H  0  0  N  N  N  11.244  17.496   6.817    6.321   0.163   3.593  H151  PCW   79  
PCW  H152  2H15  H  0  0  N  N  N  11.695  19.098   6.451    5.260   1.536   3.991  H152  PCW   80  
PCW  H161  1H16  H  0  0  N  N  N  12.670  18.532   9.191    6.085   2.752   1.994  H161  PCW   81  
PCW  H162  2H16  H  0  0  N  N  N  13.055  17.175   8.238    7.145   1.380   1.595  H162  PCW   82  
PCW  H171  1H17  H  0  0  N  N  N  14.940  18.441   7.663    8.317   1.656   3.763  H171  PCW   83  
PCW  H172  2H17  H  0  0  N  N  N  13.940  19.011   6.409    7.256   3.029   4.162  H172  PCW   84  
PCW  H181  1H18  H  0  0  N  N  N  13.397  21.127   7.589    8.081   4.246   2.164  H181  PCW   85  
PCW  H182  2H18  H  0  0  N  N  N  13.786  20.516   9.113    9.141   2.873   1.766  H182  PCW   86  
PCW  H19   H19   H  0  1  N  N  N  16.509  20.352   8.084    9.425   4.446   4.430  H19   PCW   87  
PCW  H20   H20   H  0  1  N  N  N  16.810  22.511   7.310   11.741   4.130   3.915  H20   PCW   88  
PCW  H211  1H21  H  0  0  N  N  N  13.579  22.374   7.083   10.498   3.252   1.208  H211  PCW   89  
PCW  H212  2H21  H  0  0  N  N  N  14.196  23.651   7.999   11.864   2.375   1.938  H212  PCW   90  
PCW  H221  1H22  H  0  0  N  N  N  15.620  23.525   5.336   13.248   4.429   1.818  H221  PCW   91  
PCW  H222  2H22  H  0  0  N  N  N  13.937  23.544   5.089   11.882   5.307   1.088  H222  PCW   92  
PCW  H231  1H23  H  0  0  N  N  N  13.801  25.614   6.750   11.883   3.722  -0.819  H231  PCW   93  
PCW  H232  2H23  H  0  0  N  N  N  15.503  25.631   6.783   13.249   2.844  -0.089  H232  PCW   94  
PCW  H241  1H24  H  0  0  N  N  N  14.219  25.576   3.992   14.632   4.898  -0.208  H241  PCW   95  
PCW  H242  2H24  H  0  0  N  N  N  13.968  26.997   4.896   13.266   5.776  -0.938  H242  PCW   96  
PCW  H251  1H25  H  0  0  N  N  N  16.696  26.810   5.353   13.267   4.191  -2.845  H251  PCW   97  
PCW  H252  2H25  H  0  0  N  N  N  16.664  25.817   3.972   14.633   3.313  -2.115  H252  PCW   98  
PCW  H261  1H26  H  0  0  N  N  N  16.687  27.723   2.664   16.017   5.368  -2.234  H261  PCW   99  
PCW  H262  2H26  H  0  0  N  N  N  15.050  27.968   3.061   14.651   6.245  -2.964  H262  PCW  100  
PCW  H271  1H27  H  0  0  N  N  N  15.511  29.744   4.561   14.652   4.660  -4.871  H271  PCW  101  
PCW  H272  2H27  H  0  0  N  N  N  16.780  28.937   5.327   16.018   3.783  -4.141  H272  PCW  102  
PCW  H281  1H28  H  0  0  N  N  N  17.685  30.879   4.017   16.805   5.374  -5.872  H281  PCW  103  
PCW  H282  2H28  H  0  0  N  N  N  18.312  29.338   3.212   16.035   6.714  -4.990  H282  PCW  104  
PCW  H283  3H28  H  0  0  N  N  N  17.044  30.145   2.446   17.401   5.837  -4.260  H283  PCW  105  
PCW  H321  1H32  H  0  0  N  N  N   3.512  13.000   7.168   -4.273  -1.290   1.518  H321  PCW  106  
PCW  H322  2H32  H  0  0  N  N  N   4.055  11.665   8.059   -3.808  -1.636  -0.165  H322  PCW  107  
PCW  H331  1H33  H  0  0  N  N  N   4.109  13.150   9.875   -5.579  -3.367  -0.297  H331  PCW  108  
PCW  H332  2H33  H  0  0  N  N  N   5.673  13.536   9.318   -6.043  -3.021   1.386  H332  PCW  109  
PCW  H341  1H34  H  0  0  N  N  N   4.977  15.606   8.236   -6.574  -0.681   0.759  H341  PCW  110  
PCW  H342  2H34  H  0  0  N  N  N   3.371  15.088   7.993   -6.109  -1.027  -0.925  H342  PCW  111  
PCW  H351  1H35  H  0  0  N  N  N   3.080  16.608   9.801   -7.880  -2.759  -1.057  H351  PCW  112  
PCW  H352  2H35  H  0  0  N  N  N   3.047  15.117  10.628   -8.344  -2.412   0.626  H352  PCW  113  
PCW  H361  1H36  H  0  0  N  N  N   5.008  15.561  11.814   -8.875  -0.073  -0.001  H361  PCW  114  
PCW  H362  2H36  H  0  0  N  N  N   5.888  15.982  10.417   -8.410  -0.419  -1.684  H362  PCW  115  
PCW  H371  1H37  H  0  0  N  N  N   4.095  18.217  10.682  -10.181  -2.150  -1.817  H371  PCW  116  
PCW  H372  2H37  H  0  0  N  N  N   4.366  17.792  12.308  -10.645  -1.804  -0.134  H372  PCW  117  
PCW  H381  1H38  H  0  0  N  N  N   6.996  17.763  11.738  -11.176   0.535  -0.761  H381  PCW  118  
PCW  H382  2H38  H  0  0  N  N  N   6.609  18.420  10.233  -10.712   0.189  -2.444  H382  PCW  119  
PCW  H39   H39   H  0  1  N  N  N   5.151  20.350  12.082  -12.646  -1.610  -2.459  H39   PCW  120  
PCW  H40   H40   H  0  1  N  N  N   7.114  21.376  12.758  -14.527  -0.645  -1.338  H40   PCW  121  
PCW  H411  1H41  H  0  0  N  N  N   8.383  18.503  12.008  -13.587   0.912   0.579  H411  PCW  122  
PCW  H412  2H41  H  0  0  N  N  N   8.965  19.770  11.058  -12.362   1.455  -0.593  H412  PCW  123  
PCW  H421  1H42  H  0  0  N  N  N   9.568  21.060  13.348  -14.157   2.318  -2.070  H421  PCW  124  
PCW  H422  2H42  H  0  0  N  N  N   9.191  19.615  14.167  -15.382   1.776  -0.898  H422  PCW  125  
PCW  H431  1H43  H  0  0  N  N  N  11.373  18.929  13.801  -14.395   3.264   0.822  H431  PCW  126  
PCW  H432  2H43  H  0  0  N  N  N  10.932  18.576  12.194  -13.170   3.806  -0.349  H432  PCW  127  
PCW  H441  1H44  H  0  0  N  N  N  11.452  21.106  11.580  -14.965   4.670  -1.826  H441  PCW  128  
PCW  H442  2H44  H  0  0  N  N  N  12.039  21.317  13.164  -16.190   4.127  -0.655  H442  PCW  129  
PCW  H451  1H45  H  0  0  N  N  N  13.344  18.874  12.192  -15.203   5.616   1.066  H451  PCW  130  
PCW  H452  2H45  H  0  0  N  N  N  13.351  19.936  10.861  -13.978   6.158  -0.106  H452  PCW  131  
PCW  H461  1H46  H  0  0  N  N  N  14.621  21.679  12.044  -15.773   7.021  -1.583  H461  PCW  132  
PCW  H462  2H46  H  0  0  N  N  N  14.190  21.107  13.590  -16.998   6.479  -0.411  H462  PCW  133  
PCW  H471  1H47  H  0  0  N  N  N  15.589  18.901  12.149  -16.011   7.967   1.309  H471  PCW  134  
PCW  H472  2H47  H  0  0  N  N  N  16.506  20.323  11.949  -14.786   8.510   0.137  H472  PCW  135  
PCW  H481  1H48  H  0  0  N  N  N  17.239  19.130  14.078  -16.581   9.373  -1.339  H481  PCW  136  
PCW  H482  2H48  H  0  0  N  N  N  16.447  20.723  14.522  -17.806   8.831  -0.168  H482  PCW  137  
PCW  H483  3H48  H  0  0  N  N  N  15.530  19.301  14.722  -16.664  10.123   0.273  H483  PCW  138  
PCW  H1P   H1P   H  0  1  N  N  N   5.366  11.215   4.614   -0.504  -4.037  -2.454  H1P   PCW  139  
#   #
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
PCW  C1   C2    SING  N  N    1  
PCW  C1   O3P   SING  N  N    2  
PCW  C1   H11   SING  N  N    3  
PCW  C1   H12   SING  N  N    4  
PCW  C2   C3    SING  N  N    5  
PCW  C2   O2    SING  N  N    6  
PCW  C2   H2    SING  N  N    7  
PCW  C3   O3    SING  N  N    8  
PCW  C3   H31   SING  N  N    9  
PCW  C3   H32   SING  N  N   10  
PCW  C4   C5    SING  N  N   11  
PCW  C4   O4P   SING  N  N   12  
PCW  C4   H41   SING  N  N   13  
PCW  C4   H42   SING  N  N   14  
PCW  C5   N     SING  N  N   15  
PCW  C5   H51   SING  N  N   16  
PCW  C5   H52   SING  N  N   17  
PCW  C6   N     SING  N  N   18  
PCW  C6   H61   SING  N  N   19  
PCW  C6   H62   SING  N  N   20  
PCW  C6   H63   SING  N  N   21  
PCW  C7   N     SING  N  N   22  
PCW  C7   H71   SING  N  N   23  
PCW  C7   H72   SING  N  N   24  
PCW  C7   H73   SING  N  N   25  
PCW  C8   N     SING  N  N   26  
PCW  C8   H81   SING  N  N   27  
PCW  C8   H82   SING  N  N   28  
PCW  C8   H83   SING  N  N   29  
PCW  C11  C12   SING  N  N   30  
PCW  C11  O3    SING  N  N   31  
PCW  C11  O11   DOUB  N  N   32  
PCW  C12  C13   SING  N  N   33  
PCW  C12  H121  SING  N  N   34  
PCW  C12  H122  SING  N  N   35  
PCW  C13  C14   SING  N  N   36  
PCW  C13  H131  SING  N  N   37  
PCW  C13  H132  SING  N  N   38  
PCW  C14  C15   SING  N  N   39  
PCW  C14  H141  SING  N  N   40  
PCW  C14  H142  SING  N  N   41  
PCW  C15  C16   SING  N  N   42  
PCW  C15  H151  SING  N  N   43  
PCW  C15  H152  SING  N  N   44  
PCW  C16  C17   SING  N  N   45  
PCW  C16  H161  SING  N  N   46  
PCW  C16  H162  SING  N  N   47  
PCW  C17  C18   SING  N  N   48  
PCW  C17  H171  SING  N  N   49  
PCW  C17  H172  SING  N  N   50  
PCW  C18  C19   SING  N  N   51  
PCW  C18  H181  SING  N  N   52  
PCW  C18  H182  SING  N  N   53  
PCW  C19  C20   DOUB  N  Z   54  
PCW  C19  H19   SING  N  N   55  
PCW  C20  C21   SING  N  N   56  
PCW  C20  H20   SING  N  N   57  
PCW  C21  C22   SING  N  N   58  
PCW  C21  H211  SING  N  N   59  
PCW  C21  H212  SING  N  N   60  
PCW  C22  C23   SING  N  N   61  
PCW  C22  H221  SING  N  N   62  
PCW  C22  H222  SING  N  N   63  
PCW  C23  C24   SING  N  N   64  
PCW  C23  H231  SING  N  N   65  
PCW  C23  H232  SING  N  N   66  
PCW  C24  C25   SING  N  N   67  
PCW  C24  H241  SING  N  N   68  
PCW  C24  H242  SING  N  N   69  
PCW  C25  C26   SING  N  N   70  
PCW  C25  H251  SING  N  N   71  
PCW  C25  H252  SING  N  N   72  
PCW  C26  C27   SING  N  N   73  
PCW  C26  H261  SING  N  N   74  
PCW  C26  H262  SING  N  N   75  
PCW  C27  C28   SING  N  N   76  
PCW  C27  H271  SING  N  N   77  
PCW  C27  H272  SING  N  N   78  
PCW  C28  H281  SING  N  N   79  
PCW  C28  H282  SING  N  N   80  
PCW  C28  H283  SING  N  N   81  
PCW  C31  C32   SING  N  N   82  
PCW  C31  O2    SING  N  N   83  
PCW  C31  O31   DOUB  N  N   84  
PCW  C32  C33   SING  N  N   85  
PCW  C32  H321  SING  N  N   86  
PCW  C32  H322  SING  N  N   87  
PCW  C33  C34   SING  N  N   88  
PCW  C33  H331  SING  N  N   89  
PCW  C33  H332  SING  N  N   90  
PCW  C34  C35   SING  N  N   91  
PCW  C34  H341  SING  N  N   92  
PCW  C34  H342  SING  N  N   93  
PCW  C35  C36   SING  N  N   94  
PCW  C35  H351  SING  N  N   95  
PCW  C35  H352  SING  N  N   96  
PCW  C36  C37   SING  N  N   97  
PCW  C36  H361  SING  N  N   98  
PCW  C36  H362  SING  N  N   99  
PCW  C37  C38   SING  N  N  100  
PCW  C37  H371  SING  N  N  101  
PCW  C37  H372  SING  N  N  102  
PCW  C38  C39   SING  N  N  103  
PCW  C38  H381  SING  N  N  104  
PCW  C38  H382  SING  N  N  105  
PCW  C39  C40   DOUB  N  Z  106  
PCW  C39  H39   SING  N  N  107  
PCW  C40  C41   SING  N  N  108  
PCW  C40  H40   SING  N  N  109  
PCW  C41  C42   SING  N  N  110  
PCW  C41  H411  SING  N  N  111  
PCW  C41  H412  SING  N  N  112  
PCW  C42  C43   SING  N  N  113  
PCW  C42  H421  SING  N  N  114  
PCW  C42  H422  SING  N  N  115  
PCW  C43  C44   SING  N  N  116  
PCW  C43  H431  SING  N  N  117  
PCW  C43  H432  SING  N  N  118  
PCW  C44  C45   SING  N  N  119  
PCW  C44  H441  SING  N  N  120  
PCW  C44  H442  SING  N  N  121  
PCW  C45  C46   SING  N  N  122  
PCW  C45  H451  SING  N  N  123  
PCW  C45  H452  SING  N  N  124  
PCW  C46  C47   SING  N  N  125  
PCW  C46  H461  SING  N  N  126  
PCW  C46  H462  SING  N  N  127  
PCW  C47  C48   SING  N  N  128  
PCW  C47  H471  SING  N  N  129  
PCW  C47  H472  SING  N  N  130  
PCW  C48  H481  SING  N  N  131  
PCW  C48  H482  SING  N  N  132  
PCW  C48  H483  SING  N  N  133  
PCW  O1P  P     SING  N  N  134  
PCW  O1P  H1P   SING  N  N  135  
PCW  O2P  P     DOUB  N  N  136  
PCW  O3P  P     SING  N  N  137  
PCW  O4P  P     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
PCW  SMILES            ACDLabs               10.04  "O=C(OCC(OC(=O)CCCCCCC\C=C/CCCCCCCC)COP(=O)(OCC[N+](C)(C)C)O)CCCCCCC\C=C/CCCCCCCC"  
PCW  SMILES_CANONICAL  CACTVS                3.341  "CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](CO[P@](O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCCCC"  
PCW  SMILES            CACTVS                3.341  "CCCCCCCCC=CCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCCCCCCCC"  
PCW  SMILES_CANONICAL  "OpenEye OEToolkits"  1.5.0  "CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCCCC"  
PCW  SMILES            "OpenEye OEToolkits"  1.5.0  "CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCCCCCCCC"  
PCW  InChI             InChI                 1.03   "InChI=1S/C44H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20-23,42H,6-19,24-41H2,1-5H3/p+1/b22-20-,23-21-/t42-/m1/s1"  
PCW  InChIKey          InChI                 1.03   SNKAWJBJQDLSFF-NVKMUCNASA-O  
#   #
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
PCW  "SYSTEMATIC NAME"  ACDLabs               10.04  "(4S,7R,18Z)-4-hydroxy-N,N,N-trimethyl-7-[(9Z)-octadec-9-enoyloxy]-10-oxo-3,5,9-trioxa-4-phosphaheptacos-18-en-1-aminium 4-oxide"  
PCW  "SYSTEMATIC NAME"  "OpenEye OEToolkits"  1.5.0  "2-[[(2R)-2,3-bis[[(Z)-octadec-9-enoyl]oxy]propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-azanium"  
#   #
loop_
_pdbx_chem_comp_audit.comp_id
_pdbx_chem_comp_audit.action_type
_pdbx_chem_comp_audit.date
_pdbx_chem_comp_audit.processing_site
PCW  "Create component"   2004-04-28  RCSB  
PCW  "Modify descriptor"  2011-06-04  RCSB  
PCW  "Modify synonyms"    2021-03-13  RCSB  
#
_pdbx_chem_comp_synonyms.ordinal     1
_pdbx_chem_comp_synonyms.comp_id     PCW
_pdbx_chem_comp_synonyms.name        "(Z,Z)-4-HYDROXY-N,N,N-TRIMETHYL-10-OXO-7-[(1-OXO-9-OCTADECENYL)OXY]-3,5,9-TRIOXA-4-PHOSPHAHEPTACOS-18-EN-1-AMINIUM-4-OXIDE"
_pdbx_chem_comp_synonyms.provenance  PDB
_pdbx_chem_comp_synonyms.type        ?
##
