data_PEF
# 
_chem_comp.id                                    PEF 
_chem_comp.name                                  DI-PALMITOYL-3-SN-PHOSPHATIDYLETHANOLAMINE 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C37 H74 N O8 P" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         3-[AMINOETHYLPHOSPHORYL]-[1,2-DI-PALMITOYL]-SN-GLYCEROL 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2000-05-24 
_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                        691.959 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     PEF 
_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        1EYS 
_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 
PEF C2   C2   C 0 1 N N R 20.733 51.052 48.721 -3.579 2.064  -0.906  C2   PEF 1   
PEF C1   C1   C 0 1 N N N 21.481 51.695 49.874 -4.463 0.840  -0.656  C1   PEF 2   
PEF N    N    N 0 1 N N N 23.820 49.480 49.320 -3.935 -4.087 3.615   N    PEF 3   
PEF C3   C3   C 0 1 N N N 21.723 50.986 47.556 -3.215 2.712  0.431   C3   PEF 4   
PEF C4   C4   C 0 1 N N N 25.175 50.688 51.077 -4.920 -3.545 1.439   C4   PEF 5   
PEF C5   C5   C 0 1 N N N 24.745 49.358 50.439 -4.277 -4.637 2.297   C5   PEF 6   
PEF C10  C10  C 0 1 N N N 19.397 49.247 50.070 -2.328 1.633  -2.933  C10  PEF 7   
PEF C11  C11  C 0 1 N N N 19.029 47.759 50.165 -1.069 1.207  -3.644  C11  PEF 8   
PEF C12  C12  C 0 1 N N N 17.900 47.355 49.198 -1.291 1.272  -5.156  C12  PEF 9   
PEF C13  C13  C 0 1 N N N 17.449 45.882 49.236 -0.014 0.839  -5.878  C13  PEF 10  
PEF C14  C14  C 0 1 N N N 15.952 45.669 48.947 -0.236 0.904  -7.390  C14  PEF 11  
PEF C15  C15  C 0 1 N N N 15.614 44.301 48.326 1.041  0.472  -8.112  C15  PEF 12  
PEF C16  C16  C 0 1 N N N 14.195 43.807 48.639 0.819  0.536  -9.625  C16  PEF 13  
PEF C17  C17  C 0 1 N N N 13.250 43.817 47.424 2.097  0.104  -10.347 C17  PEF 14  
PEF C18  C18  C 0 1 N N N 11.762 44.057 47.759 1.875  0.169  -11.859 C18  PEF 15  
PEF C19  C19  C 0 1 N N N 10.778 43.440 46.730 3.153  -0.263 -12.581 C19  PEF 16  
PEF C20  C20  C 0 1 N N N 9.755  44.438 46.124 2.931  -0.198 -14.094 C20  PEF 17  
PEF C21  C21  C 0 1 N N N 8.525  43.772 45.461 4.209  -0.630 -14.816 C21  PEF 18  
PEF C22  C22  C 0 1 N N N 8.843  42.463 44.695 3.987  -0.566 -16.328 C22  PEF 19  
PEF C23  C23  C 0 1 N N N 8.059  41.215 45.188 5.265  -0.998 -17.050 C23  PEF 20  
PEF C24  C24  C 0 1 N N N 8.819  40.308 46.196 5.043  -0.933 -18.562 C24  PEF 21  
PEF C25  C25  C 0 1 N N N 8.086  39.822 47.472 6.320  -1.366 -19.284 C25  PEF 22  
PEF C30  C30  C 0 1 N N N 20.656 50.151 45.384 -2.073 2.104  2.477   C30  PEF 23  
PEF C31  C31  C 0 1 N N N 19.658 49.122 45.894 -1.326 1.111  3.329   C31  PEF 24  
PEF C32  C32  C 0 1 N N N 19.232 48.150 44.760 -0.962 1.758  4.667   C32  PEF 25  
PEF C33  C33  C 0 1 N N N 18.457 48.734 43.549 -0.204 0.749  5.532   C33  PEF 26  
PEF C34  C34  C 0 1 N N N 16.952 48.334 43.443 0.159  1.396  6.870   C34  PEF 27  
PEF C35  C35  C 0 1 N N N 16.502 47.051 44.222 0.917  0.388  7.735   C35  PEF 28  
PEF C36  C36  C 0 1 N N N 15.346 46.235 43.547 1.281  1.035  9.072   C36  PEF 29  
PEF C37  C37  C 0 1 N N N 13.951 46.377 44.216 2.039  0.026  9.937   C37  PEF 30  
PEF C38  C38  C 0 1 N N N 13.003 45.156 44.024 2.404  0.673  11.275  C38  PEF 31  
PEF C39  C39  C 0 1 N N N 12.409 45.010 42.603 3.162  -0.335 12.140  C39  PEF 32  
PEF C40  C40  C 0 1 N N N 11.411 46.123 42.187 3.526  0.312  13.478  C40  PEF 33  
PEF C41  C41  C 0 1 N N N 11.301 46.358 40.648 4.284  -0.696 14.343  C41  PEF 34  
PEF C42  C42  C 0 1 N N N 11.174 47.848 40.221 4.648  -0.049 15.681  C42  PEF 35  
PEF C43  C43  C 0 1 N N N 10.405 48.090 38.889 5.406  -1.058 16.546  C43  PEF 36  
PEF C44  C44  C 0 1 N N N 8.841  47.989 38.992 5.770  -0.410 17.883  C44  PEF 37  
PEF C45  C45  C 0 1 N N N 7.938  48.682 37.916 6.529  -1.419 18.749  C45  PEF 38  
PEF O4   O4   O 0 1 N N N 18.818 50.183 51.041 -3.303 1.955  -3.570  O4   PEF 39  
PEF O5   O5   O 0 1 N N N 21.076 50.149 44.049 -2.292 3.216  2.897   O5   PEF 40  
PEF O2   O2   O 0 1 N N N 20.326 49.682 48.997 -2.366 1.654  -1.591  O2   PEF 41  
PEF O3   O3   O 0 1 N N N 21.254 51.211 46.180 -2.496 1.754  1.252   O3   PEF 42  
PEF O1P  O1P  O 0 1 N N N 23.147 53.242 51.703 -5.972 -0.902 1.053   O1P  PEF 43  
PEF O2P  O2P  O 0 1 N N N 22.006 51.510 53.529 -5.118 -1.998 -1.054  O2P  PEF 44  
PEF O3P  O3P  O 0 1 N N N 22.037 50.833 50.866 -3.755 -0.101 0.151   O3P  PEF 45  
PEF O4P  O4P  O 0 1 N N N 24.349 50.855 52.258 -4.001 -2.463 1.279   O4P  PEF 46  
PEF P    P    P 0 1 N N S 22.869 51.610 52.077 -4.738 -1.356 0.372   P    PEF 47  
PEF H21  1H2  H 0 1 N N N 19.814 51.650 48.520 -4.119 2.783  -1.522  H21  PEF 48  
PEF H11  1H1  H 0 1 N N N 22.283 52.355 49.469 -5.373 1.148  -0.142  H11  PEF 49  
PEF H12  2H1  H 0 1 N N N 20.820 52.445 50.367 -4.722 0.379  -1.609  H12  PEF 50  
PEF HN1  1HN  H 0 1 N N N 23.534 48.597 48.896 -3.516 -4.838 4.143   HN1  PEF 51  
PEF HN2  2HN  H 0 1 N N N 24.207 50.101 48.610 -3.211 -3.400 3.464   HN2  PEF 52  
PEF H31  1H3  H 0 1 N N N 22.559 51.692 47.763 -4.125 3.020  0.945   H31  PEF 53  
PEF H32  2H3  H 0 1 N N N 22.247 50.002 47.593 -2.585 3.583  0.253   H32  PEF 54  
PEF H41  1H4  H 0 1 N N N 26.268 50.745 51.288 -5.824 -3.185 1.928   H41  PEF 55  
PEF H42  2H4  H 0 1 N N N 25.126 51.553 50.375 -5.173 -3.954 0.461   H42  PEF 56  
PEF H51  1H5  H 0 1 N N N 24.321 48.678 51.215 -4.978 -5.463 2.419   H51  PEF 57  
PEF H52  2H5  H 0 1 N N N 25.642 48.770 50.133 -3.372 -4.998 1.808   H52  PEF 58  
PEF H112 2H11 H 0 0 N N N 19.928 47.116 50.017 -0.253 1.874  -3.367  H112 PEF 59  
PEF H111 1H11 H 0 0 N N N 18.774 47.478 51.213 -0.818 0.186  -3.357  H111 PEF 60  
PEF H122 2H12 H 0 0 N N N 17.018 48.019 49.354 -2.108 0.605  -5.432  H122 PEF 61  
PEF H121 1H12 H 0 0 N N N 18.183 47.632 48.155 -1.543 2.292  -5.443  H121 PEF 62  
PEF H132 2H13 H 0 0 N N N 18.070 45.266 48.544 0.802  1.506  -5.602  H132 PEF 63  
PEF H131 1H13 H 0 0 N N N 17.727 45.414 50.209 0.237  -0.181 -5.591  H131 PEF 64  
PEF H142 2H14 H 0 0 N N N 15.349 45.837 49.870 -1.052 0.237  -7.667  H142 PEF 65  
PEF H141 1H14 H 0 0 N N N 15.557 46.494 48.309 -0.487 1.925  -7.677  H141 PEF 66  
PEF H152 2H15 H 0 0 N N N 15.789 44.316 47.224 1.858  1.139  -7.836  H152 PEF 67  
PEF H151 1H15 H 0 0 N N N 16.369 43.537 48.625 1.293  -0.548 -7.825  H151 PEF 68  
PEF H162 2H16 H 0 0 N N N 14.225 42.793 49.103 0.003  -0.130 -9.901  H162 PEF 69  
PEF H161 1H16 H 0 0 N N N 13.754 44.387 49.483 0.567  1.557  -9.912  H161 PEF 70  
PEF H172 2H17 H 0 0 N N N 13.599 44.559 46.669 2.914  0.771  -10.071 H172 PEF 71  
PEF H171 1H17 H 0 0 N N N 13.366 42.875 46.837 2.349  -0.916 -10.060 H171 PEF 72  
PEF H182 2H18 H 0 0 N N N 11.529 43.697 48.788 1.058  -0.497 -12.135 H182 PEF 73  
PEF H181 1H18 H 0 0 N N N 11.560 45.145 47.890 1.623  1.190  -12.146 H181 PEF 74  
PEF H192 2H19 H 0 0 N N N 11.342 42.925 45.917 3.970  0.403  -12.305 H192 PEF 75  
PEF H191 1H19 H 0 0 N N N 10.246 42.568 47.179 3.405  -1.284 -12.294 H191 PEF 76  
PEF H202 2H20 H 0 0 N N N 9.429  45.175 46.894 2.114  -0.865 -14.370 H202 PEF 77  
PEF H201 1H20 H 0 0 N N N 10.260 45.123 45.404 2.679  0.822  -14.381 H201 PEF 78  
PEF H212 2H21 H 0 0 N N N 7.723  43.596 46.215 5.025  0.036  -14.539 H212 PEF 79  
PEF H211 1H21 H 0 0 N N N 8.002  44.496 44.793 4.460  -1.651 -14.529 H211 PEF 80  
PEF H222 2H22 H 0 0 N N N 8.689  42.608 43.600 3.170  -1.233 -16.604 H222 PEF 81  
PEF H221 1H22 H 0 0 N N N 9.939  42.262 44.711 3.735  0.454  -16.615 H221 PEF 82  
PEF H232 2H23 H 0 0 N N N 7.077  41.524 45.616 6.081  -0.331 -16.774 H232 PEF 83  
PEF H231 1H23 H 0 0 N N N 7.712  40.612 44.316 5.516  -2.019 -16.763 H231 PEF 84  
PEF H242 2H24 H 0 0 N N N 9.216  39.420 45.650 4.226  -1.600 -18.839 H242 PEF 85  
PEF H241 1H24 H 0 0 N N N 9.762  40.819 46.497 4.791  0.087  -18.849 H241 PEF 86  
PEF H252 2H25 H 0 0 N N N 8.631  39.171 48.195 6.162  -1.320 -20.362 H252 PEF 87  
PEF H251 1H25 H 0 0 N N N 7.688  40.709 48.017 7.137  -0.699 -19.008 H251 PEF 88  
PEF H253 3H25 H 0 0 N N N 7.142  39.310 47.170 6.572  -2.387 -18.997 H253 PEF 89  
PEF H312 2H31 H 0 0 N N N 20.051 48.572 46.780 -0.416 0.803  2.815   H312 PEF 90  
PEF H311 1H31 H 0 0 N N N 18.775 49.607 46.372 -1.956 0.239  3.507   H311 PEF 91  
PEF H322 2H32 H 0 0 N N N 20.131 47.605 44.389 -1.873 2.066  5.181   H322 PEF 92  
PEF H321 1H32 H 0 0 N N N 18.642 47.311 45.200 -0.333 2.630  4.489   H321 PEF 93  
PEF H332 2H33 H 0 0 N N N 18.555 49.844 43.536 0.705  0.441  5.018   H332 PEF 94  
PEF H331 1H33 H 0 0 N N N 18.984 48.475 42.601 -0.834 -0.122 5.710   H331 PEF 95  
PEF H342 2H34 H 0 0 N N N 16.315 49.197 43.747 -0.750 1.704  7.384   H342 PEF 96  
PEF H341 1H34 H 0 0 N N N 16.667 48.236 42.369 0.789  2.268  6.692   H341 PEF 97  
PEF H352 2H35 H 0 0 N N N 17.379 46.389 44.412 1.828  0.080  7.220   H352 PEF 98  
PEF H351 1H35 H 0 0 N N N 16.225 47.314 45.269 0.288  -0.483 7.912   H351 PEF 99  
PEF H362 2H36 H 0 0 N N N 15.278 46.492 42.464 0.371  1.343  9.587   H362 PEF 100 
PEF H361 1H36 H 0 0 N N N 15.628 45.158 43.476 1.911  1.907  8.895   H361 PEF 101 
PEF H372 2H37 H 0 0 N N N 14.065 46.608 45.300 2.950  -0.281 9.423   H372 PEF 102 
PEF H371 1H37 H 0 0 N N N 13.450 47.311 43.869 1.410  -0.845 10.115  H371 PEF 103 
PEF H382 2H38 H 0 0 N N N 13.520 44.215 44.324 1.493  0.981  11.790  H382 PEF 104 
PEF H381 1H38 H 0 0 N N N 12.186 45.178 44.782 3.033  1.545  11.098  H381 PEF 105 
PEF H392 2H39 H 0 0 N N N 13.228 44.928 41.851 4.072  -0.643 11.626  H392 PEF 106 
PEF H391 1H39 H 0 0 N N N 11.935 44.007 42.486 2.532  -1.206 12.318  H391 PEF 107 
PEF H402 2H40 H 0 0 N N N 10.403 45.921 42.620 2.615  0.620  13.992  H402 PEF 108 
PEF H401 1H40 H 0 0 N N N 11.657 47.077 42.707 4.155  1.184  13.300  H401 PEF 109 
PEF H412 2H41 H 0 0 N N N 12.159 45.877 40.122 5.194  -1.004 13.829  H412 PEF 110 
PEF H411 1H41 H 0 0 N N N 10.457 45.762 40.226 3.654  -1.568 14.521  H411 PEF 111 
PEF H422 2H42 H 0 0 N N N 10.715 48.445 41.043 3.738  0.258  16.195  H422 PEF 112 
PEF H421 1H42 H 0 0 N N N 12.182 48.321 40.174 5.278  0.822  15.503  H421 PEF 113 
PEF H432 2H43 H 0 0 N N N 10.697 49.072 38.449 6.317  -1.366 16.031  H432 PEF 114 
PEF H431 1H43 H 0 0 N N N 10.782 47.401 38.097 4.777  -1.930 16.723  H431 PEF 115 
PEF H442 2H44 H 0 0 N N N 8.560  46.911 39.046 4.860  -0.102 18.398  H442 PEF 116 
PEF H441 1H44 H 0 0 N N N 8.530  48.351 39.999 6.400  0.461  17.706  H441 PEF 117 
PEF H452 2H45 H 0 0 N N N 6.827  48.610 37.989 6.788  -0.958 19.702  H452 PEF 118 
PEF H451 1H45 H 0 0 N N N 8.218  49.759 37.861 5.899  -2.291 18.926  H451 PEF 119 
PEF H453 3H45 H 0 0 N N N 8.248  48.319 36.908 7.439  -1.727 18.234  H453 PEF 120 
PEF HOP2 2HOP H 0 0 N N N 21.850 50.596 53.738 -4.289 -2.280 -1.463  HOP2 PEF 121 
# 
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 
PEF C2  C1   SING N N 1   
PEF C2  C3   SING N N 2   
PEF C2  O2   SING N N 3   
PEF C2  H21  SING N N 4   
PEF C1  O3P  SING N N 5   
PEF C1  H11  SING N N 6   
PEF C1  H12  SING N N 7   
PEF N   C5   SING N N 8   
PEF N   HN1  SING N N 9   
PEF N   HN2  SING N N 10  
PEF C3  O3   SING N N 11  
PEF C3  H31  SING N N 12  
PEF C3  H32  SING N N 13  
PEF C4  C5   SING N N 14  
PEF C4  O4P  SING N N 15  
PEF C4  H41  SING N N 16  
PEF C4  H42  SING N N 17  
PEF C5  H51  SING N N 18  
PEF C5  H52  SING N N 19  
PEF C10 C11  SING N N 20  
PEF C10 O4   DOUB N N 21  
PEF C10 O2   SING N N 22  
PEF C11 C12  SING N N 23  
PEF C11 H112 SING N N 24  
PEF C11 H111 SING N N 25  
PEF C12 C13  SING N N 26  
PEF C12 H122 SING N N 27  
PEF C12 H121 SING N N 28  
PEF C13 C14  SING N N 29  
PEF C13 H132 SING N N 30  
PEF C13 H131 SING N N 31  
PEF C14 C15  SING N N 32  
PEF C14 H142 SING N N 33  
PEF C14 H141 SING N N 34  
PEF C15 C16  SING N N 35  
PEF C15 H152 SING N N 36  
PEF C15 H151 SING N N 37  
PEF C16 C17  SING N N 38  
PEF C16 H162 SING N N 39  
PEF C16 H161 SING N N 40  
PEF C17 C18  SING N N 41  
PEF C17 H172 SING N N 42  
PEF C17 H171 SING N N 43  
PEF C18 C19  SING N N 44  
PEF C18 H182 SING N N 45  
PEF C18 H181 SING N N 46  
PEF C19 C20  SING N N 47  
PEF C19 H192 SING N N 48  
PEF C19 H191 SING N N 49  
PEF C20 C21  SING N N 50  
PEF C20 H202 SING N N 51  
PEF C20 H201 SING N N 52  
PEF C21 C22  SING N N 53  
PEF C21 H212 SING N N 54  
PEF C21 H211 SING N N 55  
PEF C22 C23  SING N N 56  
PEF C22 H222 SING N N 57  
PEF C22 H221 SING N N 58  
PEF C23 C24  SING N N 59  
PEF C23 H232 SING N N 60  
PEF C23 H231 SING N N 61  
PEF C24 C25  SING N N 62  
PEF C24 H242 SING N N 63  
PEF C24 H241 SING N N 64  
PEF C25 H252 SING N N 65  
PEF C25 H251 SING N N 66  
PEF C25 H253 SING N N 67  
PEF C30 C31  SING N N 68  
PEF C30 O5   DOUB N N 69  
PEF C30 O3   SING N N 70  
PEF C31 C32  SING N N 71  
PEF C31 H312 SING N N 72  
PEF C31 H311 SING N N 73  
PEF C32 C33  SING N N 74  
PEF C32 H322 SING N N 75  
PEF C32 H321 SING N N 76  
PEF C33 C34  SING N N 77  
PEF C33 H332 SING N N 78  
PEF C33 H331 SING N N 79  
PEF C34 C35  SING N N 80  
PEF C34 H342 SING N N 81  
PEF C34 H341 SING N N 82  
PEF C35 C36  SING N N 83  
PEF C35 H352 SING N N 84  
PEF C35 H351 SING N N 85  
PEF C36 C37  SING N N 86  
PEF C36 H362 SING N N 87  
PEF C36 H361 SING N N 88  
PEF C37 C38  SING N N 89  
PEF C37 H372 SING N N 90  
PEF C37 H371 SING N N 91  
PEF C38 C39  SING N N 92  
PEF C38 H382 SING N N 93  
PEF C38 H381 SING N N 94  
PEF C39 C40  SING N N 95  
PEF C39 H392 SING N N 96  
PEF C39 H391 SING N N 97  
PEF C40 C41  SING N N 98  
PEF C40 H402 SING N N 99  
PEF C40 H401 SING N N 100 
PEF C41 C42  SING N N 101 
PEF C41 H412 SING N N 102 
PEF C41 H411 SING N N 103 
PEF C42 C43  SING N N 104 
PEF C42 H422 SING N N 105 
PEF C42 H421 SING N N 106 
PEF C43 C44  SING N N 107 
PEF C43 H432 SING N N 108 
PEF C43 H431 SING N N 109 
PEF C44 C45  SING N N 110 
PEF C44 H442 SING N N 111 
PEF C44 H441 SING N N 112 
PEF C45 H452 SING N N 113 
PEF C45 H451 SING N N 114 
PEF C45 H453 SING N N 115 
PEF O1P P    DOUB N N 116 
PEF O2P P    SING N N 117 
PEF O2P HOP2 SING N N 118 
PEF O3P P    SING N N 119 
PEF O4P P    SING N N 120 
# 
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 
PEF SMILES           ACDLabs              10.04 O=C(OCC(OC(=O)CCCCCCCCCCCCCCC)COP(=O)(OCCN)O)CCCCCCCCCCCCCCC                                                                                                                                             
PEF InChI            InChI                1.02b InChI=1/C37H74NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(39)43-33-35(34-45-47(41,42)44-32-31-38)46-37(40)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35H,3-34,38H2,1-2H3,(H,41,42)/t35-/m1/s1/f/h41H 
PEF InChIKey         InChI                1.02b SLKDGVPOSSLUAI-MDIJHWKSDE                                                                                                                                                                                
PEF SMILES_CANONICAL CACTVS               3.341 CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCC                                                                                                                                      
PEF SMILES           CACTVS               3.341 CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCC                                                                                                                                        
PEF SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCC                                                                                                                                     
PEF SMILES           "OpenEye OEToolkits" 1.5.0 CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCC                                                                                                                                             
# 
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 
PEF "SYSTEMATIC NAME" ACDLabs              10.04 "(2R)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propane-1,2-diyl dihexadecanoate"       
PEF "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 "[(2R)-1-(2-aminoethoxy-hydroxy-phosphoryl)oxy-3-hexadecanoyloxy-propan-2-yl] hexadecanoate" 
# 
