data_PEW
# 
_chem_comp.id                                    PEW 
_chem_comp.name                                  "(1R)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (9S,10S)-9,10-DIBROMOOCTADECANOATE" 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C39 H76 Br2 N O8 P" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         "DIBROMINATED PHOSPHATIDYLETHANOLAMINE; 1-PALMITOYL-2-STEAROYL(9,10-DIBROMO)-SN-GLYCERO-3-PHOSPHOETHANOLAMINE" 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2006-07-06 
_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                        877.804 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     PEW 
_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        ? 
_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 
PEW C48  C48  C  0 1 N N N 17.127 112.663 26.359 -19.384 5.205  0.171  C48  PEW 1   
PEW C47  C47  C  0 1 N N N 16.360 113.782 25.637 -18.526 3.943  0.283  C47  PEW 2   
PEW C46  C46  C  0 1 N N N 17.123 115.097 25.521 -17.046 4.325  0.217  C46  PEW 3   
PEW C45  C45  C  0 1 N N N 16.449 116.021 24.487 -16.188 3.063  0.330  C45  PEW 4   
PEW C44  C44  C  0 1 N N N 15.000 116.433 24.831 -14.708 3.445  0.263  C44  PEW 5   
PEW C43  C43  C  0 1 N N N 14.279 117.186 23.693 -13.850 2.183  0.376  C43  PEW 6   
PEW C42  C42  C  0 1 N N N 15.000 118.482 23.317 -12.370 2.565  0.309  C42  PEW 7   
PEW C41  C41  C  0 1 N N N 14.243 119.315 22.255 -11.512 1.304  0.422  C41  PEW 8   
PEW C40  C40  C  0 1 N N S 13.523 120.575 22.767 -10.032 1.686  0.356  C40  PEW 9   
PEW BR2  BR2  BR 0 0 N N N 11.981 120.847 21.637 -9.627  2.433  -1.417 BR2  PEW 10  
PEW C39  C39  C  0 1 N N S 14.312 121.854 22.623 -9.173  0.442  0.593  C39  PEW 11  
PEW BR1  BR1  BR 0 0 N N N 15.395 121.537 21.075 -9.566  -0.900 -0.789 BR1  PEW 12  
PEW C38  C38  C  0 1 N N N 13.417 123.069 22.364 -7.693  0.824  0.527  C38  PEW 13  
PEW C37  C37  C  0 1 N N N 14.084 124.453 22.503 -6.836  -0.391 0.886  C37  PEW 14  
PEW C36  C36  C  0 1 N N N 13.075 125.557 22.106 -5.356  -0.009 0.820  C36  PEW 15  
PEW C35  C35  C  0 1 N N N 13.458 126.979 22.508 -4.499  -1.225 1.180  C35  PEW 16  
PEW C34  C34  C  0 1 N N N 13.362 127.935 21.305 -3.019  -0.842 1.113  C34  PEW 17  
PEW C33  C33  C  0 1 N N N 13.217 129.415 21.705 -2.162  -2.058 1.473  C33  PEW 18  
PEW C32  C32  C  0 1 N N N 13.200 130.301 20.443 -0.682  -1.676 1.407  C32  PEW 19  
PEW C31  C31  C  0 1 N N N 13.123 131.832 20.715 0.163   -2.873 1.761  C31  PEW 20  
PEW O31  O31  O  0 1 N N N 12.697 132.578 19.832 -0.365  -3.923 2.039  O31  PEW 21  
PEW O2   O2   O  0 1 N N N 13.524 132.407 21.904 1.501   -2.771 1.769  O2   PEW 22  
PEW C2   C2   C  0 1 N N R 14.354 133.608 21.696 2.314   -3.925 2.110  C2   PEW 23  
PEW C1   C1   C  0 1 N N N 14.111 134.611 22.821 2.637   -4.715 0.841  C1   PEW 24  
PEW O3P  O3P  O  0 1 N N N 15.276 135.337 23.272 3.453   -3.919 -0.021 O3P  PEW 25  
PEW P    P    P  0 1 N N S 15.047 136.622 24.305 3.752   -4.808 -1.330 P    PEW 26  
PEW O1P  O1P  O  0 1 N N N 15.937 137.868 23.758 4.350   -6.100 -0.923 O1P  PEW 27  
PEW O2P  O2P  O  0 1 N N N 13.617 137.044 24.380 2.376   -5.079 -2.121 O2P  PEW 28  
PEW O4P  O4P  O  0 1 N N N 15.668 136.072 25.756 4.777   -4.021 -2.290 O4P  PEW 29  
PEW C4   C4   C  0 1 N N N 16.820 136.581 26.462 5.094   -4.904 -3.368 C4   PEW 30  
PEW C5   C5   C  0 1 N N N 16.391 137.113 27.839 6.070   -4.214 -4.323 C5   PEW 31  
PEW N6   N6   N  0 1 N N N 15.434 136.200 28.471 7.343   -3.972 -3.632 N6   PEW 32  
PEW C3   C3   C  0 1 N N N 15.801 133.243 21.624 3.616   -3.455 2.764  C3   PEW 33  
PEW O3   O3   O  0 1 N N N 16.002 132.619 20.344 4.399   -2.705 1.798  O3   PEW 34  
PEW C11  C11  C  0 1 N N N 17.332 132.646 20.000 5.588   -2.193 2.152  C11  PEW 35  
PEW O11  O11  O  0 1 N N N 17.752 133.404 19.112 6.007   -2.356 3.273  O11  PEW 36  
PEW C12  C12  C  0 1 N N N 18.281 131.708 20.771 6.401   -1.414 1.149  C12  PEW 37  
PEW C13  C13  C  0 1 N N N 17.575 130.428 21.263 7.703   -0.945 1.803  C13  PEW 38  
PEW C14  C14  C  0 1 N N N 17.721 129.293 20.245 8.528   -0.155 0.785  C14  PEW 39  
PEW C15  C15  C  0 1 N N N 17.900 127.969 20.975 9.829   0.314  1.439  C15  PEW 40  
PEW C16  C16  C  0 1 N N N 18.596 126.950 20.085 10.655  1.105  0.421  C16  PEW 41  
PEW C17  C17  C  0 1 N N N 18.049 125.545 20.314 11.956  1.574  1.074  C17  PEW 42  
PEW C18  C18  C  0 1 N N N 19.164 124.619 20.790 12.781  2.364  0.057  C18  PEW 43  
PEW C19  C19  C  0 1 N N N 18.634 123.223 21.112 14.083  2.834  0.710  C19  PEW 44  
PEW C20  C20  C  0 1 N N N 19.777 122.323 21.611 14.908  3.624  -0.307 C20  PEW 45  
PEW C21  C21  C  0 1 N N N 19.264 120.992 22.126 16.210  4.093  0.346  C21  PEW 46  
PEW C22  C22  C  0 1 N N N 19.569 120.896 23.594 17.035  4.884  -0.671 C22  PEW 47  
PEW C23  C23  C  0 1 N N N 19.511 119.447 24.060 18.337  5.353  -0.018 C23  PEW 48  
PEW C24  C24  C  0 1 N N N 20.478 118.617 23.237 19.162  6.143  -1.035 C24  PEW 49  
PEW C25  C25  C  0 1 N N N 21.037 117.446 24.018 20.463  6.612  -0.382 C25  PEW 50  
PEW C26  C26  C  0 1 N N N 21.985 116.760 23.030 21.289  7.403  -1.400 C26  PEW 51  
PEW H481 1H48 H  0 0 N N N 16.531 112.301 27.210 -19.146 5.880  0.992  H481 PEW 52  
PEW H482 2H48 H  0 0 N N N 18.088 113.054 26.724 -19.179 5.700  -0.778 H482 PEW 53  
PEW H483 3H48 H  0 0 N N N 17.310 111.833 25.660 -20.438 4.932  0.218  H483 PEW 54  
PEW H471 1H47 H  0 0 N N N 15.463 113.989 26.238 -18.764 3.267  -0.538 H471 PEW 55  
PEW H472 2H47 H  0 0 N N N 16.134 113.433 24.619 -18.731 3.448  1.232  H472 PEW 56  
PEW H461 1H46 H  0 0 N N N 18.152 114.885 25.194 -16.808 5.001  1.038  H461 PEW 57  
PEW H462 2H46 H  0 0 N N N 17.131 115.597 26.501 -16.841 4.820  -0.732 H462 PEW 58  
PEW H451 1H45 H  0 0 N N N 16.397 115.452 23.547 -16.426 2.387  -0.492 H451 PEW 59  
PEW H452 2H45 H  0 0 N N N 17.050 116.939 24.417 -16.393 2.568  1.279  H452 PEW 60  
PEW H441 1H44 H  0 0 N N N 15.055 117.120 25.688 -14.470 4.121  1.085  H441 PEW 61  
PEW H442 2H44 H  0 0 N N N 14.429 115.519 25.050 -14.503 3.940  -0.686 H442 PEW 62  
PEW H431 1H43 H  0 0 N N N 13.269 117.446 24.042 -14.088 1.508  -0.445 H431 PEW 63  
PEW H432 2H43 H  0 0 N N N 14.243 116.534 22.808 -14.055 1.688  1.325  H432 PEW 64  
PEW H421 1H42 H  0 0 N N N 15.972 118.204 22.885 -12.132 3.241  1.131  H421 PEW 65  
PEW H422 2H42 H  0 0 N N N 15.104 119.094 24.225 -12.165 3.061  -0.640 H422 PEW 66  
PEW H411 1H41 H  0 0 N N N 13.452 118.656 21.867 -11.750 0.628  -0.399 H411 PEW 67  
PEW H412 2H41 H  0 0 N N N 14.982 119.641 21.508 -11.717 0.808  1.371  H412 PEW 68  
PEW H40  H40  H  0 1 N N N 13.321 120.397 23.834 -9.814  2.429  1.122  H40  PEW 69  
PEW H39  H39  H  0 1 N N N 14.875 122.082 23.540 -9.397  0.027  1.576  H39  PEW 70  
PEW H381 1H38 H  0 0 N N N 12.639 123.035 23.141 -7.494  1.631  1.232  H381 PEW 71  
PEW H382 2H38 H  0 0 N N N 13.048 122.987 21.331 -7.448  1.155  -0.483 H382 PEW 72  
PEW H371 1H37 H  0 0 N N N 14.961 124.504 21.841 -7.035  -1.198 0.181  H371 PEW 73  
PEW H372 2H37 H  0 0 N N N 14.400 124.604 23.546 -7.081  -0.723 1.896  H372 PEW 74  
PEW H361 1H36 H  0 0 N N N 12.146 125.328 22.648 -5.157  0.797  1.525  H361 PEW 75  
PEW H362 2H36 H  0 0 N N N 12.980 125.538 21.010 -5.111  0.322  -0.189 H362 PEW 76  
PEW H351 1H35 H  0 0 N N N 14.496 126.974 22.872 -4.698  -2.031 0.474  H351 PEW 77  
PEW H352 2H35 H  0 0 N N N 12.773 127.325 23.296 -4.744  -1.556 2.189  H352 PEW 78  
PEW H341 1H34 H  0 0 N N N 12.458 127.660 20.742 -2.820  -0.036 1.819  H341 PEW 79  
PEW H342 2H34 H  0 0 N N N 14.281 127.830 20.710 -2.774  -0.511 0.104  H342 PEW 80  
PEW H331 1H33 H  0 0 N N N 14.068 129.704 22.339 -2.361  -2.864 0.768  H331 PEW 81  
PEW H332 2H33 H  0 0 N N N 12.276 129.552 22.259 -2.406  -2.389 2.482  H332 PEW 82  
PEW H321 1H32 H  0 0 N N N 12.286 130.037 19.891 -0.483  -0.869 2.112  H321 PEW 83  
PEW H322 2H32 H  0 0 N N N 14.129 130.107 19.886 -0.437  -1.344 0.398  H322 PEW 84  
PEW H2   H2   H  0 1 N N N 14.070 134.071 20.740 1.768   -4.562 2.806  H2   PEW 85  
PEW H11  1H1  H  0 1 N N N 13.765 134.023 23.684 3.171   -5.627 1.107  H11  PEW 86  
PEW H12  2H1  H  0 1 N N N 13.383 135.349 22.454 1.710   -4.973 0.328  H12  PEW 87  
PEW HO2P HO2P H  0 0 N N N 13.360 137.134 25.290 2.021   -4.214 -2.368 HO2P PEW 88  
PEW H41  1H4  H  0 1 N N N 17.272 137.398 25.880 5.553   -5.811 -2.973 H41  PEW 89  
PEW H42  2H4  H  0 1 N N N 17.553 135.772 26.595 4.182   -5.164 -3.906 H42  PEW 90  
PEW H51  1H5  H  0 1 N N N 15.911 138.094 27.706 6.243   -4.852 -5.190 H51  PEW 91  
PEW H52  2H5  H  0 1 N N N 17.279 137.204 28.482 5.648   -3.264 -4.650 H52  PEW 92  
PEW HN61 1HN6 H  0 0 N N N 14.532 136.631 28.502 7.746   -4.877 -3.441 HN61 PEW 93  
PEW HN62 2HN6 H  0 0 N N N 15.736 135.992 29.402 7.952   -3.518 -4.296 HN62 PEW 94  
PEW H31  1H3  H  0 1 N N N 16.080 132.564 22.444 4.186   -4.321 3.100  H31  PEW 95  
PEW H32  2H3  H  0 1 N N N 16.429 134.141 21.717 3.385   -2.818 3.617  H32  PEW 96  
PEW H121 1H12 H  0 0 N N N 18.646 132.252 21.655 5.831   -0.549 0.813  H121 PEW 97  
PEW H122 2H12 H  0 0 N N N 19.103 131.417 20.101 6.632   -2.051 0.296  H122 PEW 98  
PEW H131 1H13 H  0 0 N N N 16.505 130.646 21.394 8.273   -1.811 2.139  H131 PEW 99  
PEW H132 2H13 H  0 0 N N N 18.028 130.114 22.215 7.472   -0.308 2.656  H132 PEW 100 
PEW H141 1H14 H  0 0 N N N 18.601 129.482 19.612 7.958   0.711  0.449  H141 PEW 101 
PEW H142 2H14 H  0 0 N N N 16.818 129.246 19.619 8.759   -0.792 -0.069 H142 PEW 102 
PEW H151 1H15 H  0 0 N N N 16.908 127.580 21.248 10.400  -0.551 1.775  H151 PEW 103 
PEW H152 2H15 H  0 0 N N N 18.511 128.135 21.875 9.598   0.951  2.292  H152 PEW 104 
PEW H161 1H16 H  0 0 N N N 19.668 126.949 20.331 10.084  1.971  0.085  H161 PEW 105 
PEW H162 2H16 H  0 0 N N N 18.433 127.227 19.033 10.886  0.468  -0.433 H162 PEW 106 
PEW H171 1H17 H  0 0 N N N 17.640 125.159 19.369 12.527  0.708  1.411  H171 PEW 107 
PEW H172 2H17 H  0 0 N N N 17.258 125.584 21.078 11.725  2.211  1.928  H172 PEW 108 
PEW H181 1H18 H  0 0 N N N 19.599 125.044 21.707 12.211  3.230  -0.280 H181 PEW 109 
PEW H182 2H18 H  0 0 N N N 19.920 124.536 19.995 13.013  1.727  -0.797 H182 PEW 110 
PEW H191 1H19 H  0 0 N N N 18.202 122.784 20.201 14.653  1.968  1.047  H191 PEW 111 
PEW H192 2H19 H  0 0 N N N 17.865 123.299 21.895 13.852  3.471  1.564  H192 PEW 112 
PEW H201 1H20 H  0 0 N N N 20.282 122.839 22.440 14.338  4.490  -0.644 H201 PEW 113 
PEW H202 2H20 H  0 0 N N N 20.468 122.135 20.776 15.139  2.987  -1.161 H202 PEW 114 
PEW H211 1H21 H  0 0 N N N 19.753 120.167 21.586 16.780  3.227  0.683  H211 PEW 115 
PEW H212 2H21 H  0 0 N N N 18.178 120.925 21.967 15.979  4.730  1.200  H212 PEW 116 
PEW H221 1H22 H  0 0 N N N 18.821 121.479 24.151 16.465  5.749  -1.008 H221 PEW 117 
PEW H222 2H22 H  0 0 N N N 20.578 121.293 23.779 17.266  4.247  -1.525 H222 PEW 118 
PEW H231 1H23 H  0 0 N N N 18.490 119.059 23.931 18.907  4.487  0.318  H231 PEW 119 
PEW H232 2H23 H  0 0 N N N 19.790 119.391 25.123 18.105  5.990  0.836  H232 PEW 120 
PEW H241 1H24 H  0 0 N N N 21.319 119.264 22.949 18.591  7.009  -1.372 H241 PEW 121 
PEW H242 2H24 H  0 0 N N N 19.945 118.228 22.357 19.393  5.506  -1.889 H242 PEW 122 
PEW H251 1H25 H  0 0 N N N 20.250 116.770 24.385 21.034  5.747  -0.046 H251 PEW 123 
PEW H252 2H25 H  0 0 N N N 21.572 117.784 24.917 20.232  7.249  0.472  H252 PEW 124 
PEW H261 1H26 H  0 0 N N N 22.307 115.793 23.443 22.216  7.737  -0.934 H261 PEW 125 
PEW H262 2H26 H  0 0 N N N 22.865 117.399 22.862 21.520  6.766  -2.253 H262 PEW 126 
PEW H263 3H26 H  0 0 N N N 21.464 116.596 22.075 20.718  8.269  -1.736 H263 PEW 127 
# 
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 
PEW C48 C47  SING N N 1   
PEW C48 H481 SING N N 2   
PEW C48 H482 SING N N 3   
PEW C48 H483 SING N N 4   
PEW C47 C46  SING N N 5   
PEW C47 H471 SING N N 6   
PEW C47 H472 SING N N 7   
PEW C46 C45  SING N N 8   
PEW C46 H461 SING N N 9   
PEW C46 H462 SING N N 10  
PEW C45 C44  SING N N 11  
PEW C45 H451 SING N N 12  
PEW C45 H452 SING N N 13  
PEW C44 C43  SING N N 14  
PEW C44 H441 SING N N 15  
PEW C44 H442 SING N N 16  
PEW C43 C42  SING N N 17  
PEW C43 H431 SING N N 18  
PEW C43 H432 SING N N 19  
PEW C42 C41  SING N N 20  
PEW C42 H421 SING N N 21  
PEW C42 H422 SING N N 22  
PEW C41 C40  SING N N 23  
PEW C41 H411 SING N N 24  
PEW C41 H412 SING N N 25  
PEW C40 BR2  SING N N 26  
PEW C40 C39  SING N N 27  
PEW C40 H40  SING N N 28  
PEW C39 BR1  SING N N 29  
PEW C39 C38  SING N N 30  
PEW C39 H39  SING N N 31  
PEW C38 C37  SING N N 32  
PEW C38 H381 SING N N 33  
PEW C38 H382 SING N N 34  
PEW C37 C36  SING N N 35  
PEW C37 H371 SING N N 36  
PEW C37 H372 SING N N 37  
PEW C36 C35  SING N N 38  
PEW C36 H361 SING N N 39  
PEW C36 H362 SING N N 40  
PEW C35 C34  SING N N 41  
PEW C35 H351 SING N N 42  
PEW C35 H352 SING N N 43  
PEW C34 C33  SING N N 44  
PEW C34 H341 SING N N 45  
PEW C34 H342 SING N N 46  
PEW C33 C32  SING N N 47  
PEW C33 H331 SING N N 48  
PEW C33 H332 SING N N 49  
PEW C32 C31  SING N N 50  
PEW C32 H321 SING N N 51  
PEW C32 H322 SING N N 52  
PEW C31 O31  DOUB N N 53  
PEW C31 O2   SING N N 54  
PEW O2  C2   SING N N 55  
PEW C2  C1   SING N N 56  
PEW C2  C3   SING N N 57  
PEW C2  H2   SING N N 58  
PEW C1  O3P  SING N N 59  
PEW C1  H11  SING N N 60  
PEW C1  H12  SING N N 61  
PEW O3P P    SING N N 62  
PEW P   O1P  DOUB N N 63  
PEW P   O2P  SING N N 64  
PEW P   O4P  SING N N 65  
PEW O2P HO2P SING N N 66  
PEW O4P C4   SING N N 67  
PEW C4  C5   SING N N 68  
PEW C4  H41  SING N N 69  
PEW C4  H42  SING N N 70  
PEW C5  N6   SING N N 71  
PEW C5  H51  SING N N 72  
PEW C5  H52  SING N N 73  
PEW N6  HN61 SING N N 74  
PEW N6  HN62 SING N N 75  
PEW C3  O3   SING N N 76  
PEW C3  H31  SING N N 77  
PEW C3  H32  SING N N 78  
PEW O3  C11  SING N N 79  
PEW C11 O11  DOUB N N 80  
PEW C11 C12  SING N N 81  
PEW C12 C13  SING N N 82  
PEW C12 H121 SING N N 83  
PEW C12 H122 SING N N 84  
PEW C13 C14  SING N N 85  
PEW C13 H131 SING N N 86  
PEW C13 H132 SING N N 87  
PEW C14 C15  SING N N 88  
PEW C14 H141 SING N N 89  
PEW C14 H142 SING N N 90  
PEW C15 C16  SING N N 91  
PEW C15 H151 SING N N 92  
PEW C15 H152 SING N N 93  
PEW C16 C17  SING N N 94  
PEW C16 H161 SING N N 95  
PEW C16 H162 SING N N 96  
PEW C17 C18  SING N N 97  
PEW C17 H171 SING N N 98  
PEW C17 H172 SING N N 99  
PEW C18 C19  SING N N 100 
PEW C18 H181 SING N N 101 
PEW C18 H182 SING N N 102 
PEW C19 C20  SING N N 103 
PEW C19 H191 SING N N 104 
PEW C19 H192 SING N N 105 
PEW C20 C21  SING N N 106 
PEW C20 H201 SING N N 107 
PEW C20 H202 SING N N 108 
PEW C21 C22  SING N N 109 
PEW C21 H211 SING N N 110 
PEW C21 H212 SING N N 111 
PEW C22 C23  SING N N 112 
PEW C22 H221 SING N N 113 
PEW C22 H222 SING N N 114 
PEW C23 C24  SING N N 115 
PEW C23 H231 SING N N 116 
PEW C23 H232 SING N N 117 
PEW C24 C25  SING N N 118 
PEW C24 H241 SING N N 119 
PEW C24 H242 SING N N 120 
PEW C25 C26  SING N N 121 
PEW C25 H251 SING N N 122 
PEW C25 H252 SING N N 123 
PEW C26 H261 SING N N 124 
PEW C26 H262 SING N N 125 
PEW C26 H263 SING N N 126 
# 
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 
PEW SMILES           ACDLabs              10.04 BrC(CCCCCCCC)C(Br)CCCCCCCC(=O)OC(COP(=O)(OCCN)O)COC(=O)CCCCCCCCCCCCCCC 
PEW InChI            InChI                1.02b 
InChI=1/C39H76Br2NO8P/c1-3-5-7-9-11-12-13-14-15-16-17-21-25-29-38(43)47-33-35(34-49-51(45,46)48-32-31-42)50-39(44)30-26-22-18-20-24-28-37(41)36(40)27-23-19-10-8-6-4-2/h35-37H,3-34,42H2,1-2H3,(H,45,46)/t35-,36+,37+/m1/s1/f/h45H 
PEW InChIKey         InChI                1.02b DQMAEWCVUIFGMB-DANQCOMQDS 
PEW SMILES_CANONICAL CACTVS               3.341 CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](O)(=O)OCCN)OC(=O)CCCCCCC[C@H](Br)[C@@H](Br)CCCCCCCC 
PEW SMILES           CACTVS               3.341 CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCCN)OC(=O)CCCCCCC[CH](Br)[CH](Br)CCCCCCCC 
PEW SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCCN)OC(=O)CCCCCCC[C@@H]([C@H](CCCCCCCC)Br)Br 
PEW SMILES           "OpenEye OEToolkits" 1.5.0 CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCC(C(CCCCCCCC)Br)Br 
# 
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 
PEW "SYSTEMATIC NAME" ACDLabs              10.04 "(1R)-2-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9S,10S)-9,10-dibromooctadecanoate" 
PEW "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 "[(2R)-1-(2-aminoethoxy-hydroxy-phosphoryl)oxy-3-hexadecanoyloxy-propan-2-yl] (9S,10S)-9,10-dibromooctadecanoate"          
# 
