data_PTY
# 
_chem_comp.id                                    PTY 
_chem_comp.name                                  PHOSPHATIDYLETHANOLAMINE 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C40 H80 N O8 P" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2002-04-01 
_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                        734.039 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     PTY 
_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        1L8J 
_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 
PTY C1   C1   C 0 1 N N N 0.302   40.506 -3.239  3.824   1.037  -3.974  C1   PTY 1   
PTY C2   C2   C 0 1 N N N 1.953   37.077 1.041   10.158  -3.027 -2.565  C2   PTY 2   
PTY C3   C3   C 0 1 N N N 2.073   38.585 1.288   9.607   -1.614 -2.361  C3   PTY 3   
PTY O4   O4   O 0 1 N N N -0.201  40.865 -4.564  2.390   1.165  -4.162  O4   PTY 4   
PTY C5   C5   C 0 1 N N N 2.535   40.824 -2.032  5.702   1.316  -2.350  C5   PTY 5   
PTY C6   C6   C 0 1 N N R 1.357   41.519 -2.750  4.191   1.451  -2.548  C6   PTY 6   
PTY O7   O7   O 0 1 N N N 0.696   42.418 -1.814  3.500   0.593  -1.602  O7   PTY 7   
PTY C8   C8   C 0 1 N N N 0.991   43.763 -1.778  3.158   1.065  -0.393  C8   PTY 8   
PTY O10  O10  O 0 1 N N N 2.096   44.255 -1.590  3.424   2.205  -0.092  O10  PTY 9   
PTY C11  C11  C 0 1 N N N -0.257  44.589 -1.992  2.441   0.175  0.588   C11  PTY 10  
PTY C12  C12  C 0 1 N N N -0.091  46.074 -1.658  2.170   0.952  1.878   C12  PTY 11  
PTY C13  C13  C 0 1 N N N -1.430  46.788 -1.524  1.442   0.047  2.874   C13  PTY 12  
PTY C14  C14  C 0 1 N N N -1.656  47.804 -2.635  1.171   0.825  4.164   C14  PTY 13  
PTY C15  C15  C 0 1 N N N -2.305  49.087 -2.156  0.443   -0.079 5.161   C15  PTY 14  
PTY C16  C16  C 0 1 N N N -1.306  50.239 -2.117  0.172   0.697  6.451   C16  PTY 15  
PTY C17  C17  C 0 1 N N N -1.883  51.520 -2.713  -0.555  -0.206 7.447   C17  PTY 16  
PTY C18  C18  C 0 1 N N N -1.776  52.693 -1.740  -0.826  0.570  8.737   C18  PTY 17  
PTY C19  C19  C 0 1 N N N -0.514  53.507 -1.981  -1.554  -0.333 9.734   C19  PTY 18  
PTY C20  C20  C 0 1 N N N 0.182   53.917 -0.695  -1.826  0.443  11.024  C20  PTY 19  
PTY C21  C21  C 0 1 N N N 1.695   53.747 -0.795  -2.553  -0.461 12.020  C21  PTY 20  
PTY C22  C22  C 0 1 N N N 2.214   52.444 -0.171  -2.825  0.316  13.310  C22  PTY 21  
PTY C23  C23  C 0 1 N N N 1.584   52.105 1.183   -3.552  -0.588 14.307  C23  PTY 22  
PTY C24  C24  C 0 1 N N N 2.200   50.854 1.797   -3.824  0.188  15.597  C24  PTY 23  
PTY C25  C25  C 0 1 N N N 2.879   51.155 3.127   -4.551  -0.715 16.593  C25  PTY 24  
PTY C26  C26  C 0 1 N N N 2.414   50.235 4.251   -4.823  0.061  17.883  C26  PTY 25  
PTY C27  C27  C 0 1 N N N 2.740   48.760 4.001   -5.550  -0.842 18.880  C27  PTY 26  
PTY C28  C28  C 0 1 N N N 2.242   47.893 5.150   -5.822  -0.065 20.170  C28  PTY 27  
PTY C29  C29  C 0 1 N N N 2.559   46.438 4.902   -6.549  -0.969 21.166  C29  PTY 28  
PTY C30  C30  C 0 1 N N N -1.560  40.711 -4.817  1.838   0.854  -5.345  C30  PTY 29  
PTY C31  C31  C 0 1 N N N -1.901  40.865 -6.302  0.349   0.986  -5.540  C31  PTY 30  
PTY O30  O30  O 0 1 N N N -2.417  40.479 -3.969  2.534   0.467  -6.254  O30  PTY 31  
PTY C32  C32  C 0 1 N N N -3.415  41.054 -6.614  -0.017  0.572  -6.966  C32  PTY 32  
PTY C33  C33  C 0 1 N N N -3.703  42.112 -7.711  -1.528  0.707  -7.164  C33  PTY 33  
PTY C34  C34  C 0 1 N N N -5.208  42.301 -8.038  -1.894  0.292  -8.590  C34  PTY 34  
PTY C35  C35  C 0 1 N N N -6.039  43.029 -6.958  -3.406  0.427  -8.788  C35  PTY 35  
PTY C36  C36  C 0 1 N N N -7.547  43.015 -7.297  -3.772  0.012  -10.215 C36  PTY 36  
PTY C37  C37  C 0 1 N N N -8.302  44.314 -6.975  -5.283  0.147  -10.412 C37  PTY 37  
PTY C38  C38  C 0 1 N N N -8.800  45.110 -8.207  -5.650  -0.266 -11.839 C38  PTY 38  
PTY C39  C39  C 0 1 N N N -9.841  44.412 -9.117  -7.161  -0.131 -12.037 C39  PTY 39  
PTY C40  C40  C 0 1 N N N -9.673  44.916 -10.579 -7.528  -0.546 -13.463 C40  PTY 40  
PTY C41  C41  C 0 1 N N N -10.840 44.619 -11.533 -9.039  -0.411 -13.661 C41  PTY 41  
PTY C42  C42  C 0 1 N N N -10.730 45.435 -12.849 -9.406  -0.826 -15.087 C42  PTY 42  
PTY C43  C43  C 0 1 N N N -11.863 45.169 -13.845 -10.917 -0.691 -15.285 C43  PTY 43  
PTY C44  C44  C 0 1 N N N -12.687 46.431 -14.161 -11.284 -1.105 -16.711 C44  PTY 44  
PTY P1   P1   P 0 1 N N S 3.593   40.663 0.429   7.684   -0.109 -2.343  P1   PTY 45  
PTY O11  O11  O 0 1 N N N 3.255   39.084 0.606   8.194   -1.619 -2.573  O11  PTY 46  
PTY O12  O12  O 0 1 N N N 3.371   41.346 1.801   8.036   0.353  -0.842  O12  PTY 47  
PTY O13  O13  O 0 1 N N N 5.113   40.885 -0.072  8.357   0.790  -3.307  O13  PTY 48  
PTY O14  O14  O 0 1 N N N 2.574   41.261 -0.656  6.091   -0.040 -2.567  O14  PTY 49  
PTY N1   N1   N 0 1 N N N 3.108   36.528 1.440   9.869   -3.473 -3.935  N1   PTY 50  
PTY HC11 1HC1 H 0 0 N N N 0.695   39.463 -3.218  4.342   1.681  -4.684  HC11 PTY 51  
PTY HC12 2HC1 H 0 0 N N N -0.528  40.391 -2.503  4.121   0.001  -4.139  HC12 PTY 52  
PTY HC21 1HC2 H 0 0 N N N 1.686   36.824 -0.011  11.236  -3.024 -2.404  HC21 PTY 53  
PTY HC22 2HC2 H 0 0 N N N 1.059   36.622 1.526   9.687   -3.707 -1.855  HC22 PTY 54  
PTY HC31 1HC3 H 0 0 N N N 2.071   38.839 2.374   10.079  -0.935 -3.071  HC31 PTY 55  
PTY HC32 2HC3 H 0 0 N N N 1.150   39.138 0.996   9.822   -1.284 -1.345  HC32 PTY 56  
PTY HC51 1HC5 H 0 0 N N N 3.506   40.986 -2.556  6.220   1.961  -3.060  HC51 PTY 57  
PTY HC52 2HC5 H 0 0 N N N 2.491   39.714 -2.123  5.963   1.612  -1.334  HC52 PTY 58  
PTY HC6  HC6  H 0 1 N N N 1.774   42.063 -3.629  3.894   2.487  -2.383  HC6  PTY 59  
PTY H111 1H11 H 0 0 N N N -1.114  44.155 -1.426  3.062   -0.693 0.811   H111 PTY 60  
PTY H112 2H11 H 0 0 N N N -0.635  44.463 -3.033  1.496   -0.154 0.157   H112 PTY 61  
PTY H121 1H12 H 0 0 N N N 0.565   46.584 -2.402  1.549   1.820  1.655   H121 PTY 62  
PTY H122 2H12 H 0 0 N N N 0.534   46.214 -0.745  3.115   1.282  2.309   H122 PTY 63  
PTY H131 1H13 H 0 0 N N N -1.536  47.260 -0.519  2.063   -0.820 3.097   H131 PTY 64  
PTY H132 2H13 H 0 0 N N N -2.271  46.059 -1.468  0.497   -0.281 2.443   H132 PTY 65  
PTY H141 1H14 H 0 0 N N N -2.241  47.353 -3.470  0.550   1.693  3.941   H141 PTY 66  
PTY H142 2H14 H 0 0 N N N -0.703  48.020 -3.173  2.116   1.154  4.595   H142 PTY 67  
PTY H151 1H15 H 0 0 N N N -2.805  48.947 -1.169  1.064   -0.947 5.384   H151 PTY 68  
PTY H152 2H15 H 0 0 N N N -3.200  49.344 -2.769  -0.501  -0.409 4.730   H152 PTY 69  
PTY H161 1H16 H 0 0 N N N -0.347  49.959 -2.613  -0.448  1.566  6.228   H161 PTY 70  
PTY H162 2H16 H 0 0 N N N -0.927  50.410 -1.082  1.117   1.027  6.882   H162 PTY 71  
PTY H171 1H17 H 0 0 N N N -2.933  51.372 -3.057  0.064   -1.074 7.670   H171 PTY 72  
PTY H172 2H17 H 0 0 N N N -1.411  51.761 -3.694  -1.500  -0.536 7.016   H172 PTY 73  
PTY H181 1H18 H 0 0 N N N -1.844  52.351 -0.681  -1.447  1.438  8.514   H181 PTY 74  
PTY H182 2H18 H 0 0 N N N -2.687  53.335 -1.774  0.118   0.900  9.168   H182 PTY 75  
PTY H191 1H19 H 0 0 N N N -0.729  54.396 -2.618  -0.934  -1.202 9.957   H191 PTY 76  
PTY H192 2H19 H 0 0 N N N 0.187   52.964 -2.657  -2.499  -0.663 9.303   H192 PTY 77  
PTY H201 1H20 H 0 0 N N N -0.232  53.370 0.184   -2.446  1.311  10.801  H201 PTY 78  
PTY H202 2H20 H 0 0 N N N -0.092  54.956 -0.397  -0.880  0.773  11.455  H202 PTY 79  
PTY H211 1H21 H 0 0 N N N 2.219   54.628 -0.357  -1.933  -1.329 12.243  H211 PTY 80  
PTY H212 2H21 H 0 0 N N N 2.031   53.837 -1.854  -3.498  -0.790 11.589  H212 PTY 81  
PTY H221 1H22 H 0 0 N N N 3.326   52.465 -0.090  -3.445  1.184  13.087  H221 PTY 82  
PTY H222 2H22 H 0 0 N N N 2.092   51.594 -0.882  -1.879  0.645  13.741  H222 PTY 83  
PTY H231 1H23 H 0 0 N N N 0.476   52.014 1.104   -2.932  -1.456 14.530  H231 PTY 84  
PTY H232 2H23 H 0 0 N N N 1.639   52.970 1.884   -4.497  -0.918 13.876  H232 PTY 85  
PTY H241 1H24 H 0 0 N N N 2.900   50.355 1.087   -4.444  1.057  15.374  H241 PTY 86  
PTY H242 2H24 H 0 0 N N N 1.447   50.039 1.901   -2.879  0.518  16.028  H242 PTY 87  
PTY H251 1H25 H 0 0 N N N 2.748   52.226 3.408   -3.931  -1.583 16.816  H251 PTY 88  
PTY H252 2H25 H 0 0 N N N 3.989   51.129 3.023   -5.496  -1.045 16.162  H252 PTY 89  
PTY H261 1H26 H 0 0 N N N 1.325   50.372 4.450   -5.443  0.929  17.660  H261 PTY 90  
PTY H262 2H26 H 0 0 N N N 2.824   50.570 5.232   -3.878  0.391  18.314  H262 PTY 91  
PTY H271 1H27 H 0 0 N N N 3.827   48.605 3.809   -4.930  -1.710 19.103  H271 PTY 92  
PTY H272 2H27 H 0 0 N N N 2.344   48.411 3.019   -6.495  -1.172 18.449  H272 PTY 93  
PTY H281 1H28 H 0 0 N N N 1.156   48.051 5.345   -6.442  0.802  19.947  H281 PTY 94  
PTY H282 2H28 H 0 0 N N N 2.641   48.240 6.132   -4.877  0.264  20.601  H282 PTY 95  
PTY H291 1H29 H 0 0 N N N 3.646   46.280 4.707   -6.743  -0.416 22.085  H291 PTY 96  
PTY H292 2H29 H 0 0 N N N 2.194   45.803 5.743   -7.494  -1.299 20.735  H292 PTY 97  
PTY H293 3H29 H 0 0 N N N 2.160   46.091 3.921   -5.929  -1.838 21.389  H293 PTY 98  
PTY H311 1H31 H 0 0 N N N -1.493  40.004 -6.882  -0.168  0.342  -4.830  H311 PTY 99  
PTY H312 2H31 H 0 0 N N N -1.309  41.698 -6.748  0.052   2.022  -5.375  H312 PTY 100 
PTY H321 1H32 H 0 0 N N N -3.981  41.291 -5.683  0.501   1.216  -7.676  H321 PTY 101 
PTY H322 2H32 H 0 0 N N N -3.886  40.078 -6.877  0.280   -0.463 -7.131  H322 PTY 102 
PTY H331 1H33 H 0 0 N N N -3.130  41.877 -8.638  -2.046  0.062  -6.454  H331 PTY 103 
PTY H332 2H33 H 0 0 N N N -3.238  43.089 -7.441  -1.825  1.742  -6.999  H332 PTY 104 
PTY H341 1H34 H 0 0 N N N -5.673  41.316 -8.277  -1.376  0.936  -9.301  H341 PTY 105 
PTY H342 2H34 H 0 0 N N N -5.323  42.817 -9.020  -1.597  -0.743 -8.756  H342 PTY 106 
PTY H351 1H35 H 0 0 N N N -5.669  44.067 -6.790  -3.924  -0.216 -8.078  H351 PTY 107 
PTY H352 2H35 H 0 0 N N N -5.845  42.610 -5.943  -3.703  1.463  -8.623  H352 PTY 108 
PTY H361 1H36 H 0 0 N N N -8.044  42.149 -6.800  -3.254  0.657  -10.925 H361 PTY 109 
PTY H362 2H36 H 0 0 N N N -7.697  42.739 -8.367  -3.475  -1.022 -10.380 H362 PTY 110 
PTY H371 1H37 H 0 0 N N N -7.679  44.968 -6.322  -5.802  -0.496 -9.702  H371 PTY 111 
PTY H372 2H37 H 0 0 N N N -9.152  44.103 -6.285  -5.580  1.183  -10.247 H372 PTY 112 
PTY H381 1H38 H 0 0 N N N -7.926  45.434 -8.820  -5.132  0.377  -12.549 H381 PTY 113 
PTY H382 2H38 H 0 0 N N N -9.197  46.098 -7.877  -5.353  -1.302 -12.004 H382 PTY 114 
PTY H391 1H39 H 0 0 N N N -10.883 44.544 -8.743  -7.680  -0.776 -11.326 H391 PTY 115 
PTY H392 2H39 H 0 0 N N N -9.785  43.301 -9.045  -7.458  0.903  -11.871 H392 PTY 116 
PTY H401 1H40 H 0 0 N N N -8.723  44.520 -11.009 -7.010  0.097  -14.173 H401 PTY 117 
PTY H402 2H40 H 0 0 N N N -9.453  46.009 -10.579 -7.231  -1.582 -13.628 H402 PTY 118 
PTY H411 1H41 H 0 0 N N N -11.824 44.783 -11.034 -9.557  -1.055 -12.951 H411 PTY 119 
PTY H412 2H41 H 0 0 N N N -10.928 43.527 -11.739 -9.336  0.624  -13.496 H412 PTY 120 
PTY H421 1H42 H 0 0 N N N -9.738  45.268 -13.331 -8.887  -0.181 -15.797 H421 PTY 121 
PTY H422 2H42 H 0 0 N N N -10.651 46.525 -12.628 -9.109  -1.861 -15.252 H422 PTY 122 
PTY H431 1H43 H 0 0 N N N -12.520 44.341 -13.491 -11.435 -1.335 -14.575 H431 PTY 123 
PTY H432 2H43 H 0 0 N N N -11.472 44.703 -14.779 -11.214 0.344  -15.120 H432 PTY 124 
PTY H441 1H44 H 0 0 N N N -12.030 47.259 -14.515 -12.360 -1.009 -16.852 H441 PTY 125 
PTY H442 2H44 H 0 0 N N N -13.512 46.237 -14.886 -10.765 -0.461 -17.421 H442 PTY 126 
PTY H443 3H44 H 0 0 N N N -13.078 46.898 -13.227 -10.986 -2.141 -16.876 H443 PTY 127 
PTY H12O OH12 H 0 0 N N N 3.569   42.269 1.698   7.580   -0.256 -0.247  H12O PTY 128 
PTY HN11 1HN1 H 0 0 N N N 3.353   36.760 2.403   10.248  -4.403 -4.023  HN11 PTY 129 
PTY HN12 2HN1 H 0 0 N N N 3.028   35.525 1.276   8.867   -3.560 -4.006  HN12 PTY 130 
# 
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 
PTY C1  O4   SING N N 1   
PTY C1  C6   SING N N 2   
PTY C1  HC11 SING N N 3   
PTY C1  HC12 SING N N 4   
PTY C2  C3   SING N N 5   
PTY C2  N1   SING N N 6   
PTY C2  HC21 SING N N 7   
PTY C2  HC22 SING N N 8   
PTY C3  O11  SING N N 9   
PTY C3  HC31 SING N N 10  
PTY C3  HC32 SING N N 11  
PTY O4  C30  SING N N 12  
PTY C5  C6   SING N N 13  
PTY C5  O14  SING N N 14  
PTY C5  HC51 SING N N 15  
PTY C5  HC52 SING N N 16  
PTY C6  O7   SING N N 17  
PTY C6  HC6  SING N N 18  
PTY O7  C8   SING N N 19  
PTY C8  O10  DOUB N N 20  
PTY C8  C11  SING N N 21  
PTY C11 C12  SING N N 22  
PTY C11 H111 SING N N 23  
PTY C11 H112 SING N N 24  
PTY C12 C13  SING N N 25  
PTY C12 H121 SING N N 26  
PTY C12 H122 SING N N 27  
PTY C13 C14  SING N N 28  
PTY C13 H131 SING N N 29  
PTY C13 H132 SING N N 30  
PTY C14 C15  SING N N 31  
PTY C14 H141 SING N N 32  
PTY C14 H142 SING N N 33  
PTY C15 C16  SING N N 34  
PTY C15 H151 SING N N 35  
PTY C15 H152 SING N N 36  
PTY C16 C17  SING N N 37  
PTY C16 H161 SING N N 38  
PTY C16 H162 SING N N 39  
PTY C17 C18  SING N N 40  
PTY C17 H171 SING N N 41  
PTY C17 H172 SING N N 42  
PTY C18 C19  SING N N 43  
PTY C18 H181 SING N N 44  
PTY C18 H182 SING N N 45  
PTY C19 C20  SING N N 46  
PTY C19 H191 SING N N 47  
PTY C19 H192 SING N N 48  
PTY C20 C21  SING N N 49  
PTY C20 H201 SING N N 50  
PTY C20 H202 SING N N 51  
PTY C21 C22  SING N N 52  
PTY C21 H211 SING N N 53  
PTY C21 H212 SING N N 54  
PTY C22 C23  SING N N 55  
PTY C22 H221 SING N N 56  
PTY C22 H222 SING N N 57  
PTY C23 C24  SING N N 58  
PTY C23 H231 SING N N 59  
PTY C23 H232 SING N N 60  
PTY C24 C25  SING N N 61  
PTY C24 H241 SING N N 62  
PTY C24 H242 SING N N 63  
PTY C25 C26  SING N N 64  
PTY C25 H251 SING N N 65  
PTY C25 H252 SING N N 66  
PTY C26 C27  SING N N 67  
PTY C26 H261 SING N N 68  
PTY C26 H262 SING N N 69  
PTY C27 C28  SING N N 70  
PTY C27 H271 SING N N 71  
PTY C27 H272 SING N N 72  
PTY C28 C29  SING N N 73  
PTY C28 H281 SING N N 74  
PTY C28 H282 SING N N 75  
PTY C29 H291 SING N N 76  
PTY C29 H292 SING N N 77  
PTY C29 H293 SING N N 78  
PTY C30 C31  SING N N 79  
PTY C30 O30  DOUB N N 80  
PTY C31 C32  SING N N 81  
PTY C31 H311 SING N N 82  
PTY C31 H312 SING N N 83  
PTY C32 C33  SING N N 84  
PTY C32 H321 SING N N 85  
PTY C32 H322 SING N N 86  
PTY C33 C34  SING N N 87  
PTY C33 H331 SING N N 88  
PTY C33 H332 SING N N 89  
PTY C34 C35  SING N N 90  
PTY C34 H341 SING N N 91  
PTY C34 H342 SING N N 92  
PTY C35 C36  SING N N 93  
PTY C35 H351 SING N N 94  
PTY C35 H352 SING N N 95  
PTY C36 C37  SING N N 96  
PTY C36 H361 SING N N 97  
PTY C36 H362 SING N N 98  
PTY C37 C38  SING N N 99  
PTY C37 H371 SING N N 100 
PTY C37 H372 SING N N 101 
PTY C38 C39  SING N N 102 
PTY C38 H381 SING N N 103 
PTY C38 H382 SING N N 104 
PTY C39 C40  SING N N 105 
PTY C39 H391 SING N N 106 
PTY C39 H392 SING N N 107 
PTY C40 C41  SING N N 108 
PTY C40 H401 SING N N 109 
PTY C40 H402 SING N N 110 
PTY C41 C42  SING N N 111 
PTY C41 H411 SING N N 112 
PTY C41 H412 SING N N 113 
PTY C42 C43  SING N N 114 
PTY C42 H421 SING N N 115 
PTY C42 H422 SING N N 116 
PTY C43 C44  SING N N 117 
PTY C43 H431 SING N N 118 
PTY C43 H432 SING N N 119 
PTY C44 H441 SING N N 120 
PTY C44 H442 SING N N 121 
PTY C44 H443 SING N N 122 
PTY P1  O11  SING N N 123 
PTY P1  O12  SING N N 124 
PTY P1  O13  DOUB N N 125 
PTY P1  O14  SING N N 126 
PTY O12 H12O SING N N 127 
PTY N1  HN11 SING N N 128 
PTY N1  HN12 SING N N 129 
# 
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 
PTY SMILES           ACDLabs              10.04 O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCCCC)COP(=O)(OCCN)O)CCCCCCCCCCCCCC 
PTY InChI            InChI                1.02b 
InChI=1/C40H80NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-40(43)49-38(37-48-50(44,45)47-35-34-41)36-46-39(42)32-30-28-26-24-22-16-14-12-10-8-6-4-2/h38H,3-37,41H2,1-2H3,(H,44,45)/t38-/m1/s1/f/h44H 
PTY InChIKey         InChI                1.02b NJGIRBISCGPRPF-FFVCZJLNDB 
PTY SMILES_CANONICAL CACTVS               3.341 CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)CO[P@](O)(=O)OCCN 
PTY SMILES           CACTVS               3.341 CCCCCCCCCCCCCCCCCCCC(=O)O[CH](COC(=O)CCCCCCCCCCCCCC)CO[P](O)(=O)OCCN 
PTY SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)CO[P@@](=O)(O)OCCN 
PTY SMILES           "OpenEye OEToolkits" 1.5.0 CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COP(=O)(O)OCCN 
# 
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 
PTY "SYSTEMATIC NAME" ACDLabs              10.04 "(1R)-2-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(pentadecanoyloxy)methyl]ethyl icosanoate" 
PTY "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 "[(2R)-1-(2-aminoethoxy-hydroxy-phosphoryl)oxy-3-pentadecanoyloxy-propan-2-yl] icosanoate"          
# 
