data_P3A
# 
_chem_comp.id                                    P3A 
_chem_comp.name                                  PHOSPHATIDYLGLYCEROL-PHOSPHOGLYCEROL 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C41 H78 O15 P2" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    -2 
_chem_comp.pdbx_initial_date                     2005-04-25 
_chem_comp.pdbx_modified_date                    2008-10-14 
_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                        872.997 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     P3A 
_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        1ZDU 
_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 
P3A O43  O43  O 0  1 N N N -2.683 13.046 2.647  0.623   -2.889  -4.523 O43  P3A 1   
P3A C42  C42  C 0  1 N N N -1.973 12.439 1.856  0.471   -2.139  -3.588 C42  P3A 2   
P3A C44  C44  C 0  1 N N N -1.315 13.116 0.665  1.458   -2.143  -2.450 C44  P3A 3   
P3A C45  C45  C 0  1 N N N -1.556 14.627 0.599  2.548   -3.181  -2.724 C45  P3A 4   
P3A C46  C46  C 0  1 N N N -0.460 15.423 1.301  3.551   -3.185  -1.568 C46  P3A 5   
P3A C47  C47  C 0  1 N N N -0.890 16.866 1.574  4.641   -4.223  -1.843 C47  P3A 6   
P3A C48  C48  C 0  1 N N N 0.176  17.655 2.340  5.644   -4.227  -0.687 C48  P3A 7   
P3A C49  C49  C 0  1 N N N -0.440 18.673 3.301  6.734   -5.265  -0.961 C49  P3A 8   
P3A C50  C50  C 0  1 N N N 0.569  19.206 4.325  7.736   -5.269  0.195  C50  P3A 9   
P3A C51  C51  C 0  1 N N N 1.309  20.425 3.796  8.827   -6.307  -0.080 C51  P3A 10  
P3A C52  C52  C 0  1 N N N 2.761  20.483 4.283  9.829   -6.311  1.076  C52  P3A 11  
P3A C53  C53  C 0  1 N N N 2.893  20.954 5.734  10.919  -7.349  0.802  C53  P3A 12  
P3A C54  C54  C 0  1 N N N 4.043  21.942 5.875  11.922  -7.353  1.958  C54  P3A 13  
P3A C55  C55  C 0  1 N N N 4.143  22.465 7.304  13.012  -8.391  1.683  C55  P3A 14  
P3A C56  C56  C 0  1 N N N 4.833  21.460 8.196  14.015  -8.395  2.839  C56  P3A 15  
P3A C57  C57  C 0  1 N N N 5.276  21.837 9.396  15.105  -9.433  2.565  C57  P3A 16  
P3A C58  C58  C 0  1 N N N 5.976  20.859 10.319 16.107  -9.437  3.721  C58  P3A 17  
P3A O41  O41  O 0  1 N N N -1.752 11.011 2.077  -0.578  -1.302  -3.564 O41  P3A 18  
P3A C40  C40  C 0  1 N N N -1.735 10.466 3.404  -1.530  -1.298  -4.661 C40  P3A 19  
P3A C38  C38  C 0  1 N N R -0.454 10.840 4.147  -2.620  -0.260  -4.386 C38  P3A 20  
P3A C39  C39  C 0  1 N N N -0.291 9.981  5.398  -1.974  1.104   -4.134 C39  P3A 21  
P3A O19  O19  O 0  1 N N N -1.199 10.305 6.457  -1.017  0.990   -3.079 O19  P3A 22  
P3A P16  P16  P 0  1 N N N -1.011 9.490  7.839  -0.381  2.453   -2.868 P16  P3A 23  
P3A O17  O17  O 0  1 N N N 0.404  9.747  8.301  0.406   2.860   -4.133 O17  P3A 24  
P3A O18  O18  O -1 1 N N N -1.470 8.066  7.620  -1.511  3.475   -2.614 O18  P3A 25  
P3A O15  O15  O 0  1 N N N -2.015 10.119 8.930  0.614   2.428   -1.602 O15  P3A 26  
P3A C14  C14  C 0  1 N N N -1.556 10.312 10.276 1.053   3.772   -1.395 C14  P3A 27  
P3A C6   C6   C 0  1 N N R -2.191 9.386  11.302 2.007   3.819   -0.200 C6   P3A 28  
P3A O7   O7   O 0  1 N N N -3.227 10.071 11.968 1.298   3.465   0.990  O7   P3A 29  
P3A C8   C8   C 0  1 N N N -1.182 8.964  12.355 2.573   5.233   -0.054 C8   P3A 30  
P3A O9   O9   O 0  1 N N N -1.615 7.735  12.931 3.551   5.249   0.988  O9   P3A 31  
P3A P10  P10  P 0  1 N N N -2.873 7.663  13.933 4.102   6.759   1.085  P10  P3A 32  
P3A O12  O12  O 0  1 N N N -4.116 7.289  13.150 4.844   7.122   -0.221 O12  P3A 33  
P3A O13  O13  O -1 1 N N N -2.848 8.894  14.792 2.916   7.728   1.290  O13  P3A 34  
P3A O11  O11  O 0  1 N N N -2.556 6.354  14.835 5.116   6.881   2.330  O11  P3A 35  
P3A C1   C1   C 0  1 N N N -2.997 6.260  16.190 5.476   8.260   2.435  C1   P3A 36  
P3A C2   C2   C 0  1 N N S -4.455 5.829  16.286 6.443   8.446   3.606  C2   P3A 37  
P3A C4   C4   C 0  1 N N N -5.119 6.606  17.415 6.732   9.937   3.797  C4   P3A 38  
P3A O5   O5   O 0  1 N N N -5.436 7.911  16.978 7.541   10.120  4.960  O5   P3A 39  
P3A O3   O3   O 0  1 N N N -4.558 4.439  16.569 7.664   7.757   3.329  O3   P3A 40  
P3A O37  O37  O 0  1 N N N -0.493 12.216 4.510  -3.384  -0.658  -3.217 O37  P3A 41  
P3A C21  C21  C 0  1 N N N 0.800  12.858 4.656  -4.677  -0.316  -3.112 C21  P3A 42  
P3A O20  O20  O 0  1 N N N 1.663  12.665 3.821  -5.206  0.323   -3.990 O20  P3A 43  
P3A C22  C22  C 0  1 N N N 1.064  13.763 5.837  -5.470  -0.729  -1.899 C22  P3A 44  
P3A C23  C23  C 0  1 N N N 1.171  15.234 5.433  -6.905  -0.215  -2.028 C23  P3A 45  
P3A C24  C24  C 0  1 N N N 2.597  15.624 5.056  -7.710  -0.635  -0.796 C24  P3A 46  
P3A C25  C25  C 0  1 N N N 3.562  15.418 6.214  -9.145  -0.121  -0.926 C25  P3A 47  
P3A C26  C26  C 0  1 N N N 4.644  16.488 6.265  -9.950  -0.541  0.306  C26  P3A 48  
P3A C27  C27  C 0  1 N N N 5.594  16.193 7.426  -11.386 -0.027  0.177  C27  P3A 49  
P3A C28  C28  C 0  1 N N N 6.185  17.459 8.035  -12.190 -0.447  1.409  C28  P3A 50  
P3A C29  C29  C 0  1 N N N 5.940  17.528 9.527  -13.604 0.059   1.281  C29  P3A 51  
P3A C30  C30  C 0  1 N N N 4.730  17.746 10.054 -14.610 -0.767  1.425  C30  P3A 52  
P3A C31  C31  C 0  1 N N N 3.494  17.929 9.200  -14.365 -2.182  1.884  C31  P3A 53  
P3A C32  C32  C 0  1 N N N 2.382  18.600 10.002 -15.240 -2.482  3.102  C32  P3A 54  
P3A C33  C33  C 0  1 N N N 1.194  18.898 9.087  -14.990 -3.917  3.568  C33  P3A 55  
P3A C34  C34  C 0  1 N N N 0.081  19.598 9.852  -15.866 -4.217  4.787  C34  P3A 56  
P3A C35  C35  C 0  1 N N N 0.284  21.107 9.890  -15.616 -5.653  5.253  C35  P3A 57  
P3A C36  C36  C 0  1 N N N -0.314 21.757 8.667  -16.491 -5.953  6.471  C36  P3A 58  
P3A H441 1H44 H 0  0 N N N -0.223 12.891 0.640  0.943   -2.394  -1.523 H441 P3A 59  
P3A H442 2H44 H 0  0 N N N -1.628 12.627 -0.286 1.911   -1.156  -2.358 H442 P3A 60  
P3A H451 1H45 H 0  0 N N N -1.687 14.967 -0.454 3.064   -2.930  -3.651 H451 P3A 61  
P3A H452 2H45 H 0  0 N N N -2.562 14.891 0.998  2.096   -4.168  -2.816 H452 P3A 62  
P3A H461 1H46 H 0  0 N N N -0.125 14.915 2.235  3.035   -3.436  -0.641 H461 P3A 63  
P3A H462 2H46 H 0  0 N N N 0.497  15.386 0.730  4.004   -2.198  -1.476 H462 P3A 64  
P3A H471 1H47 H 0  0 N N N -1.175 17.386 0.630  5.157   -3.972  -2.770 H471 P3A 65  
P3A H472 2H47 H 0  0 N N N -1.872 16.900 2.100  4.188   -5.210  -1.935 H472 P3A 66  
P3A H481 1H48 H 0  0 N N N 0.879  16.972 2.871  5.128   -4.478  0.240  H481 P3A 67  
P3A H482 2H48 H 0  0 N N N 0.896  18.142 1.642  6.096   -3.240  -0.595 H482 P3A 68  
P3A H491 1H49 H 0  0 N N N -0.922 19.508 2.742  7.249   -5.014  -1.888 H491 P3A 69  
P3A H492 2H49 H 0  0 N N N -1.339 18.251 3.807  6.281   -6.252  -1.053 H492 P3A 70  
P3A H501 1H50 H 0  0 N N N 0.081  19.418 5.305  7.221   -5.520  1.122  H501 P3A 71  
P3A H502 2H50 H 0  0 N N N 1.277  18.409 4.652  8.189   -4.282  0.287  H502 P3A 72  
P3A H511 1H51 H 0  0 N N N 1.255  20.476 2.683  9.342   -6.056  -1.007 H511 P3A 73  
P3A H512 2H51 H 0  0 N N N 0.763  21.365 4.044  8.374   -7.294  -0.171 H512 P3A 74  
P3A H521 1H52 H 0  0 N N N 3.267  19.500 4.137  9.314   -6.562  2.003  H521 P3A 75  
P3A H522 2H52 H 0  0 N N N 3.382  21.112 3.603  10.282  -5.324  1.168  H522 P3A 76  
P3A H531 1H53 H 0  0 N N N 1.935  21.375 6.120  11.435  -7.098  -0.125 H531 P3A 77  
P3A H532 2H53 H 0  0 N N N 2.995  20.096 6.439  10.467  -8.336  0.710  H532 P3A 78  
P3A H541 1H54 H 0  0 N N N 5.007  21.502 5.529  11.406  -7.604  2.885  H541 P3A 79  
P3A H542 2H54 H 0  0 N N N 3.962  22.774 5.137  12.375  -6.366  2.050  H542 P3A 80  
P3A H551 1H55 H 0  0 N N N 4.640  23.462 7.344  13.528  -8.140  0.756  H551 P3A 81  
P3A H552 2H55 H 0  0 N N N 3.145  22.757 7.706  12.559  -9.378  1.592  H552 P3A 82  
P3A H561 1H56 H 0  0 N N N 4.160  20.580 8.326  13.499  -8.646  3.766  H561 P3A 83  
P3A H562 2H56 H 0  0 N N N 5.681  21.007 7.630  14.467  -7.408  2.931  H562 P3A 84  
P3A H571 1H57 H 0  0 N N N 5.945  22.717 9.255  15.620  -9.182  1.638  H571 P3A 85  
P3A H572 2H57 H 0  0 N N N 4.421  22.285 9.953  14.652  -10.420 2.473  H572 P3A 86  
P3A H581 1H58 H 0  0 N N N 6.346  21.174 11.322 15.592  -9.688  4.648  H581 P3A 87  
P3A H582 2H58 H 0  0 N N N 5.306  19.978 10.459 16.884  -10.176 3.525  H582 P3A 88  
P3A H583 3H58 H 0  0 N N N 6.831  20.410 9.761  16.560  -8.450  3.813  H583 P3A 89  
P3A H401 1H40 H 0  0 N N N -2.642 10.765 3.979  -1.014  -1.047  -5.588 H401 P3A 90  
P3A H402 2H40 H 0  0 N N N -1.892 9.362  3.393  -1.983  -2.285  -4.753 H402 P3A 91  
P3A H38  H38  H 0  1 N N N 0.415  10.658 3.473  -3.284  -0.194  -5.248 H38  P3A 92  
P3A H391 1H39 H 0  0 N N N -0.363 8.898  5.139  -1.475  1.443   -5.042 H391 P3A 93  
P3A H392 2H39 H 0  0 N N N 0.762  10.019 5.762  -2.743  1.823   -3.851 H392 P3A 94  
P3A H141 1H14 H 0  0 N N N -0.444 10.235 10.320 1.570   4.127   -2.286 H141 P3A 95  
P3A H142 2H14 H 0  0 N N N -1.687 11.376 10.581 0.191   4.409   -1.197 H142 P3A 96  
P3A H6   H6   H 0  1 N N N -2.572 8.488  10.761 2.824   3.115   -0.359 H6   P3A 97  
P3A HO7  HO7  H 0  1 N N N -3.623 9.492  12.608 0.586   4.111   1.093  HO7  P3A 98  
P3A H81  1H8  H 0  1 N N N -0.143 8.905  11.953 3.037   5.537   -0.993 H81  P3A 99  
P3A H82  2H8  H 0  1 N N N -1.005 9.755  13.119 1.767   5.924   0.193  H82  P3A 100 
P3A H11  1H1  H 0  1 N N N -2.336 5.587  16.785 5.957   8.582   1.512  H11  P3A 101 
P3A H12  2H1  H 0  1 N N N -2.819 7.213  16.740 4.580   8.858   2.606  H12  P3A 102 
P3A H2   H2   H 0  1 N N N -4.954 6.033  15.310 5.997   8.043   4.515  H2   P3A 103 
P3A H41  1H4  H 0  1 N N N -6.009 6.073  17.822 7.259   10.320  2.924  H41  P3A 104 
P3A H42  2H4  H 0  1 N N N -4.497 6.613  18.340 5.792   10.476  3.920  H42  P3A 105 
P3A HO5  HO5  H 0  1 N N N -5.850 8.395  17.682 7.699   11.070  5.044  HO5  P3A 106 
P3A HO3  HO3  H 0  1 N N N -5.467 4.170  16.628 8.026   8.143   2.520  HO3  P3A 107 
P3A H221 1H22 H 0  0 N N N 0.295  13.619 6.632  -5.478  -1.816  -1.823 H221 P3A 108 
P3A H222 2H22 H 0  0 N N N 1.968  13.434 6.400  -5.012  -0.305  -1.004 H222 P3A 109 
P3A H231 1H23 H 0  0 N N N 0.455  15.481 4.614  -6.897  0.872   -2.104 H231 P3A 110 
P3A H232 2H23 H 0  0 N N N 0.766  15.901 6.229  -7.363  -0.639  -2.922 H232 P3A 111 
P3A H241 1H24 H 0  0 N N N 2.937  15.084 4.141  -7.718  -1.722  -0.720 H241 P3A 112 
P3A H242 2H24 H 0  0 N N N 2.643  16.668 4.668  -7.252  -0.211  0.098  H242 P3A 113 
P3A H251 1H25 H 0  0 N N N 3.016  15.350 7.184  -9.137  0.966   -1.002 H251 P3A 114 
P3A H252 2H25 H 0  0 N N N 4.007  14.396 6.188  -9.603  -0.545  -1.820 H252 P3A 115 
P3A H261 1H26 H 0  0 N N N 5.182  16.590 5.294  -9.958  -1.628  0.382  H261 P3A 116 
P3A H262 2H26 H 0  0 N N N 4.218  17.517 6.319  -9.492  -0.117  1.200  H262 P3A 117 
P3A H271 1H27 H 0  0 N N N 5.094  15.569 8.203  -11.377 1.060   0.101  H271 P3A 118 
P3A H272 2H27 H 0  0 N N N 6.397  15.484 7.116  -11.843 -0.451  -0.717 H272 P3A 119 
P3A H281 1H28 H 0  0 N N N 7.269  17.557 7.795  -12.198 -1.534  1.485  H281 P3A 120 
P3A H282 2H28 H 0  0 N N N 5.809  18.372 7.518  -11.732 -0.023  2.303  H282 P3A 121 
P3A H29  H29  H 0  1 N N N 6.715  17.408 10.302 -13.788 1.102   1.071  H29  P3A 122 
P3A H30  H30  H 0  1 N N N 4.750  17.773 11.156 -15.616 -0.435  1.214  H30  P3A 123 
P3A H311 1H31 H 0  0 N N N 3.719  18.484 8.259  -14.613 -2.873  1.079  H311 P3A 124 
P3A H312 2H31 H 0  0 N N N 3.156  16.966 8.748  -13.315 -2.299  2.152  H312 P3A 125 
P3A H321 1H32 H 0  0 N N N 2.085  17.998 10.892 -14.991 -1.790  3.907  H321 P3A 126 
P3A H322 2H32 H 0  0 N N N 2.740  19.511 10.535 -16.290 -2.364  2.833  H322 P3A 127 
P3A H331 1H33 H 0  0 N N N 1.503  19.478 8.186  -15.239 -4.609  2.763  H331 P3A 128 
P3A H332 2H33 H 0  0 N N N 0.826  17.977 8.576  -13.941 -4.035  3.837  H332 P3A 129 
P3A H341 1H34 H 0  0 N N N -0.921 19.333 9.442  -15.617 -3.526  5.592  H341 P3A 130 
P3A H342 2H34 H 0  0 N N N -0.033 19.177 10.878 -16.915 -4.100  4.518  H342 P3A 131 
P3A H351 1H35 H 0  0 N N N -0.113 21.553 10.831 -15.865 -6.345  4.448  H351 P3A 132 
P3A H352 2H35 H 0  0 N N N 1.358  21.376 10.017 -14.566 -5.771  5.522  H352 P3A 133 
P3A H361 1H36 H 0  0 N N N -0.165 22.861 8.694  -16.243 -5.262  7.276  H361 P3A 134 
P3A H362 2H36 H 0  0 N N N 0.083  21.310 7.725  -17.541 -5.836  6.203  H362 P3A 135 
P3A H363 3H36 H 0  0 N N N -1.388 21.487 8.539  -16.314 -6.976  6.803  H363 P3A 136 
# 
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 
P3A O43 C42  DOUB N N 1   
P3A C42 C44  SING N N 2   
P3A C42 O41  SING N N 3   
P3A C44 C45  SING N N 4   
P3A C44 H441 SING N N 5   
P3A C44 H442 SING N N 6   
P3A C45 C46  SING N N 7   
P3A C45 H451 SING N N 8   
P3A C45 H452 SING N N 9   
P3A C46 C47  SING N N 10  
P3A C46 H461 SING N N 11  
P3A C46 H462 SING N N 12  
P3A C47 C48  SING N N 13  
P3A C47 H471 SING N N 14  
P3A C47 H472 SING N N 15  
P3A C48 C49  SING N N 16  
P3A C48 H481 SING N N 17  
P3A C48 H482 SING N N 18  
P3A C49 C50  SING N N 19  
P3A C49 H491 SING N N 20  
P3A C49 H492 SING N N 21  
P3A C50 C51  SING N N 22  
P3A C50 H501 SING N N 23  
P3A C50 H502 SING N N 24  
P3A C51 C52  SING N N 25  
P3A C51 H511 SING N N 26  
P3A C51 H512 SING N N 27  
P3A C52 C53  SING N N 28  
P3A C52 H521 SING N N 29  
P3A C52 H522 SING N N 30  
P3A C53 C54  SING N N 31  
P3A C53 H531 SING N N 32  
P3A C53 H532 SING N N 33  
P3A C54 C55  SING N N 34  
P3A C54 H541 SING N N 35  
P3A C54 H542 SING N N 36  
P3A C55 C56  SING N N 37  
P3A C55 H551 SING N N 38  
P3A C55 H552 SING N N 39  
P3A C56 C57  SING N N 40  
P3A C56 H561 SING N N 41  
P3A C56 H562 SING N N 42  
P3A C57 C58  SING N N 43  
P3A C57 H571 SING N N 44  
P3A C57 H572 SING N N 45  
P3A C58 H581 SING N N 46  
P3A C58 H582 SING N N 47  
P3A C58 H583 SING N N 48  
P3A O41 C40  SING N N 49  
P3A C40 C38  SING N N 50  
P3A C40 H401 SING N N 51  
P3A C40 H402 SING N N 52  
P3A C38 C39  SING N N 53  
P3A C38 O37  SING N N 54  
P3A C38 H38  SING N N 55  
P3A C39 O19  SING N N 56  
P3A C39 H391 SING N N 57  
P3A C39 H392 SING N N 58  
P3A O19 P16  SING N N 59  
P3A P16 O17  DOUB N N 60  
P3A P16 O18  SING N N 61  
P3A P16 O15  SING N N 62  
P3A O15 C14  SING N N 63  
P3A C14 C6   SING N N 64  
P3A C14 H141 SING N N 65  
P3A C14 H142 SING N N 66  
P3A C6  O7   SING N N 67  
P3A C6  C8   SING N N 68  
P3A C6  H6   SING N N 69  
P3A O7  HO7  SING N N 70  
P3A C8  O9   SING N N 71  
P3A C8  H81  SING N N 72  
P3A C8  H82  SING N N 73  
P3A O9  P10  SING N N 74  
P3A P10 O12  DOUB N N 75  
P3A P10 O13  SING N N 76  
P3A P10 O11  SING N N 77  
P3A O11 C1   SING N N 78  
P3A C1  C2   SING N N 79  
P3A C1  H11  SING N N 80  
P3A C1  H12  SING N N 81  
P3A C2  C4   SING N N 82  
P3A C2  O3   SING N N 83  
P3A C2  H2   SING N N 84  
P3A C4  O5   SING N N 85  
P3A C4  H41  SING N N 86  
P3A C4  H42  SING N N 87  
P3A O5  HO5  SING N N 88  
P3A O3  HO3  SING N N 89  
P3A O37 C21  SING N N 90  
P3A C21 O20  DOUB N N 91  
P3A C21 C22  SING N N 92  
P3A C22 C23  SING N N 93  
P3A C22 H221 SING N N 94  
P3A C22 H222 SING N N 95  
P3A C23 C24  SING N N 96  
P3A C23 H231 SING N N 97  
P3A C23 H232 SING N N 98  
P3A C24 C25  SING N N 99  
P3A C24 H241 SING N N 100 
P3A C24 H242 SING N N 101 
P3A C25 C26  SING N N 102 
P3A C25 H251 SING N N 103 
P3A C25 H252 SING N N 104 
P3A C26 C27  SING N N 105 
P3A C26 H261 SING N N 106 
P3A C26 H262 SING N N 107 
P3A C27 C28  SING N N 108 
P3A C27 H271 SING N N 109 
P3A C27 H272 SING N N 110 
P3A C28 C29  SING N N 111 
P3A C28 H281 SING N N 112 
P3A C28 H282 SING N N 113 
P3A C29 C30  DOUB N Z 114 
P3A C29 H29  SING N N 115 
P3A C30 C31  SING N N 116 
P3A C30 H30  SING N N 117 
P3A C31 C32  SING N N 118 
P3A C31 H311 SING N N 119 
P3A C31 H312 SING N N 120 
P3A C32 C33  SING N N 121 
P3A C32 H321 SING N N 122 
P3A C32 H322 SING N N 123 
P3A C33 C34  SING N N 124 
P3A C33 H331 SING N N 125 
P3A C33 H332 SING N N 126 
P3A C34 C35  SING N N 127 
P3A C34 H341 SING N N 128 
P3A C34 H342 SING N N 129 
P3A C35 C36  SING N N 130 
P3A C35 H351 SING N N 131 
P3A C35 H352 SING N N 132 
P3A C36 H361 SING N N 133 
P3A C36 H362 SING N N 134 
P3A C36 H363 SING N N 135 
# 
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 
P3A SMILES           ACDLabs              10.04 O=C(OC(COP([O-])(=O)OCC(O)COP([O-])(=O)OCC(O)CO)COC(=O)CCCCCCCCCCCCCCC)CCCCCCC\C=C/CCCCCC 
P3A InChI            InChI                1.02b 
;InChI=1/C41H80O15P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-40(45)51-35-39(56-41(46)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-55-58(49,50)54-34-38(44)33-53-57(47,48)52-32-37(43)31-42/h14,16,37-39,42-44H,3-13,15,17-36H2,1-2H3,(H,47,48)(H,49,50)/p-2/b16-14-/t37-,38+,39+/m0/s1/fC41H78O15P2/q-2
;
P3A InChIKey         InChI                1.02b LXWNXFZWWXODAH-JPWWWQIMDZ 
P3A SMILES_CANONICAL CACTVS               3.341 CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P]([O-])(=O)OC[C@H](O)CO[P]([O-])(=O)OC[C@@H](O)CO)OC(=O)CCCCCCC\C=C/CCCCCC 
P3A SMILES           CACTVS               3.341 CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P]([O-])(=O)OC[CH](O)CO[P]([O-])(=O)OC[CH](O)CO)OC(=O)CCCCCCCC=CCCCCCC 
P3A SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)([O-])OC[C@@H](CO[P@](=O)([O-])OC[C@H](CO)O)O)OC(=O)CCCCCCC\C=C/CCCCCC 
P3A SMILES           "OpenEye OEToolkits" 1.5.0 CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(COP(=O)([O-])OCC(CO)O)O)OC(=O)CCCCCCCC=CCCCCCC 
# 
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 
P3A "SYSTEMATIC NAME" ACDLabs              10.04 "(2S)-2,3-dihydroxypropyl (2R,8R)-8-[(9Z)-hexadec-9-enoyloxy]-2-hydroxy-5,5-dioxido-11-oxo-4,6,10-trioxa-5-phosphahexacos-1-yl phosphate (non-preferred name)" 
P3A "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 "[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-oxido-phosphoryl]oxy-2-hydroxy-propyl] [(2R)-3-hexadecanoyloxy-2-[(Z)-hexadec-9-enoyl]oxy-propyl] phosphate"             
# 
