data_EPH
# 
_chem_comp.id                                    EPH 
_chem_comp.name                                  L-ALPHA-PHOSPHATIDYL-BETA-OLEOYL-GAMMA-PALMITOYL-PHOSPHATIDYLETHANOLAMINE 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C39 H68 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                     2000-11-03 
_chem_comp.pdbx_modified_date                    2011-06-04 
_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                        709.933 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     EPH 
_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        1G2N 
_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 
EPH C1   C1   C 0 1 N N N 23.841 12.890 85.182 4.399   -1.006 -1.502 C1   EPH 1   
EPH C2   C2   C 0 1 N N R 23.073 13.779 86.051 3.659   -1.373 -2.790 C2   EPH 2   
EPH C4   C4   C 0 1 N N N 24.886 13.083 83.132 3.871   -0.575 0.819  C4   EPH 3   
EPH O2   O2   O 0 1 N N N 24.217 13.693 84.085 3.446   -0.891 -0.413 O2   EPH 4   
EPH O4   O4   O 0 1 N N N 25.161 11.929 83.164 5.047   -0.387 1.023  O4   EPH 5   
EPH C18  C18  C 0 1 N N N 25.252 14.041 81.968 2.882   -0.455 1.950  C18  EPH 6   
EPH C19  C19  C 0 1 N N N 24.699 13.559 80.620 3.622   -0.089 3.238  C19  EPH 7   
EPH C20  C20  C 0 1 N N N 23.182 13.560 80.559 2.618   0.032  4.386  C20  EPH 8   
EPH C21  C21  C 0 1 N N N 22.640 12.743 79.401 3.358   0.398  5.674  C21  EPH 9   
EPH C22  C22  C 0 1 N N N 21.119 12.883 79.293 2.353   0.520  6.822  C22  EPH 10  
EPH C23  C23  C 0 1 N N N 20.546 13.060 77.875 3.093   0.886  8.110  C23  EPH 11  
EPH C24  C24  C 0 1 N N N 21.052 14.303 77.128 2.104   1.006  9.241  C24  EPH 12  
EPH C25  C25  C 0 1 N N N 20.047 15.450 77.006 2.214   0.232  10.292 C25  EPH 13  
EPH C26  C26  C 0 1 N N N 20.672 16.773 77.458 1.225   0.352  11.423 C26  EPH 14  
EPH C27  C27  C 0 1 N N N 19.821 18.041 77.286 0.503   -0.983 11.612 C27  EPH 15  
EPH C28  C28  C 0 1 N N N 19.015 18.172 75.982 -0.485  -0.863 12.743 C28  EPH 16  
EPH C29  C29  C 0 1 N N N 19.851 18.299 74.721 -1.760  -1.067 12.522 C29  EPH 17  
EPH C30  C30  C 0 1 N N N 19.819 17.024 73.878 -2.749  -0.948 13.653 C30  EPH 18  
EPH C31  C31  C 0 1 N N N 19.435 17.261 72.416 -3.771  0.142  13.324 C31  EPH 19  
EPH C32  C32  C 0 1 N N N 17.931 17.461 72.213 -4.760  0.261  14.454 C32  EPH 20  
EPH C33  C33  C 0 1 N N N 17.082 16.203 72.363 -4.885  1.396  15.098 C33  EPH 21  
EPH C34  C34  C 0 1 N N N 15.598 16.513 72.532 -5.874  1.515  16.229 C34  EPH 22  
EPH C37  C37  C 0 1 N N N 22.843 13.134 87.373 4.663   -1.494 -3.938 C37  EPH 23  
EPH O5   O5   O 0 1 N N N 22.314 14.131 88.225 5.338   -0.247 -4.115 O5   EPH 24  
EPH C3   C3   C 0 1 N N N 21.512 15.311 85.249 1.561   -0.652 -3.759 C3   EPH 25  
EPH O1   O1   O 0 1 N N N 21.834 14.043 85.421 2.689   -0.338 -3.103 O1   EPH 26  
EPH O3   O3   O 0 1 N N N 22.232 16.224 85.540 1.352   -1.795 -4.089 O3   EPH 27  
EPH C5   C5   C 0 1 N N N 20.145 15.516 84.621 0.555   0.422  -4.083 C5   EPH 28  
EPH C6   C6   C 0 1 N N N 20.381 15.747 83.131 -0.629  -0.197 -4.827 C6   EPH 29  
EPH C7   C7   C 0 1 N N N 19.050 15.954 82.431 -1.651  0.893  -5.157 C7   EPH 30  
EPH C8   C8   C 0 1 N N N 19.043 15.729 80.934 -2.835  0.274  -5.901 C8   EPH 31  
EPH C9   C9   C 0 1 N N N 17.635 16.046 80.409 -3.857  1.364  -6.230 C9   EPH 32  
EPH C10  C10  C 0 1 N N N 17.066 15.186 79.282 -5.042  0.745  -6.974 C10  EPH 33  
EPH C11  C11  C 0 1 N N N 16.452 16.090 78.219 -6.063  1.836  -7.304 C11  EPH 34  
EPH C12  C12  C 0 1 N N N 15.149 15.634 77.518 -7.230  1.226  -8.037 C12  EPH 35  
EPH C13  C13  C 0 1 N N N 15.202 14.286 76.857 -8.436  1.306  -7.531 C13  EPH 36  
EPH C14  C14  C 0 1 N N N 14.860 14.426 75.388 -9.603  0.696  -8.264 C14  EPH 37  
EPH C15  C15  C 0 1 N N N 14.979 13.085 74.671 -10.249 -0.351 -7.395 C15  EPH 38  
EPH C16  C16  C 0 1 N N N 16.433 12.721 74.348 -11.506 -0.228 -7.046 C16  EPH 39  
EPH C17  C17  C 0 1 N N N 16.766 11.338 74.880 -12.152 -1.276 -6.177 C17  EPH 40  
EPH C35  C35  C 0 1 N N N 18.019 11.373 75.719 -12.645 -0.631 -4.881 C35  EPH 41  
EPH C36  C36  C 0 1 N N N 18.265 10.013 76.325 -13.302 -1.695 -3.999 C36  EPH 42  
EPH P1   P1   P 0 1 N N R 21.819 13.718 89.656 6.373   -0.447 -5.332 P1   EPH 43  
EPH O6   O6   O 0 1 N N N 21.544 14.920 90.565 7.418   -1.614 -4.962 O6   EPH 44  
EPH O7   O7   O 0 1 N N N 20.514 12.924 89.273 5.630   -0.820 -6.556 O7   EPH 45  
EPH O8   O8   O 0 1 N N N 22.842 12.726 90.206 7.172   0.927  -5.587 O8   EPH 46  
EPH C38  C38  C 0 1 N N N 22.754 11.363 89.777 8.070   0.687  -6.672 C38  EPH 47  
EPH C39  C39  C 0 1 N N N 24.107 10.706 89.590 8.865   1.960  -6.968 C39  EPH 48  
EPH N1   N1   N 0 1 N N N 23.753 9.296  89.733 9.631   2.348  -5.775 N1   EPH 49  
EPH H11  1H1  H 0 1 N N N 24.697 12.388 85.690 5.126   -1.783 -1.268 H11  EPH 50  
EPH H12A 2H1  H 0 0 N N N 23.300 11.957 84.896 4.913   -0.055 -1.637 H12A EPH 51  
EPH H2   H2   H 0 1 N N N 23.633 14.728 86.219 3.144   -2.324 -2.656 H2   EPH 52  
EPH H181 1H18 H 0 0 N N N 24.924 15.084 82.187 2.154   0.320  1.716  H181 EPH 53  
EPH H182 2H18 H 0 0 N N N 26.353 14.207 81.914 2.367   -1.407 2.085  H182 EPH 54  
EPH H191 1H19 H 0 0 N N N 25.129 14.152 79.780 4.350   -0.866 3.473  H191 EPH 55  
EPH H192 2H19 H 0 0 N N N 25.105 12.553 80.361 4.137   0.861  3.104  H192 EPH 56  
EPH H201 1H20 H 0 0 N N N 22.743 13.221 81.526 1.890   0.808  4.152  H201 EPH 57  
EPH H202 2H20 H 0 0 N N N 22.783 14.601 80.534 2.103   -0.919 4.521  H202 EPH 58  
EPH H211 1H21 H 0 0 N N N 23.145 13.003 78.442 4.085   -0.378 5.909  H211 EPH 59  
EPH H212 2H21 H 0 0 N N N 22.950 11.674 79.471 3.872   1.349  5.540  H212 EPH 60  
EPH H221 1H22 H 0 0 N N N 20.625 12.016 79.791 1.626   1.296  6.588  H221 EPH 61  
EPH H222 2H22 H 0 0 N N N 20.771 13.717 79.945 1.839   -0.431 6.957  H222 EPH 62  
EPH H231 1H23 H 0 0 N N N 20.727 12.143 77.267 3.821   0.109  8.345  H231 EPH 63  
EPH H232 2H23 H 0 0 N N N 19.431 13.053 77.904 3.608   1.837  7.976  H232 EPH 64  
EPH H24  H24  H 0 1 N N N 22.069 14.367 76.707 1.304   1.729  9.185  H24  EPH 65  
EPH H25  H25  H 0 1 N N N 19.012 15.338 76.641 3.014   -0.491 10.349 H25  EPH 66  
EPH H261 1H26 H 0 0 N N N 20.999 16.686 78.520 1.752   0.613  12.341 H261 EPH 67  
EPH H262 2H26 H 0 0 N N N 21.654 16.912 76.950 0.498   1.128  11.188 H262 EPH 68  
EPH H271 1H27 H 0 0 N N N 19.135 18.149 78.158 -0.023  -1.244 10.694 H271 EPH 69  
EPH H272 2H27 H 0 0 N N N 20.465 18.941 77.416 1.231   -1.760 11.847 H272 EPH 70  
EPH H28  H28  H 0 1 N N N 17.912 18.174 75.953 -0.143  -0.609 13.735 H28  EPH 71  
EPH H29  H29  H 0 1 N N N 20.413 19.208 74.450 -2.103  -1.322 11.530 H29  EPH 72  
EPH H301 1H30 H 0 0 N N N 20.791 16.483 73.946 -3.264  -1.899 13.788 H301 EPH 73  
EPH H302 2H30 H 0 0 N N N 19.149 16.262 74.341 -2.222  -0.687 14.570 H302 EPH 74  
EPH H311 1H31 H 0 0 N N N 20.010 18.114 71.988 -3.256  1.093  13.189 H311 EPH 75  
EPH H312 2H31 H 0 0 N N N 19.817 16.438 71.767 -4.298  -0.118 12.406 H312 EPH 76  
EPH H32  H32  H 0 1 N N N 17.489 18.443 71.975 -5.366  -0.587 14.734 H32  EPH 77  
EPH H33  H33  H 0 1 N N N 17.496 15.180 72.350 -4.279  2.245  14.818 H33  EPH 78  
EPH H341 1H34 H 0 0 N N N 14.977 15.593 72.641 -5.836  2.524  16.639 H341 EPH 79  
EPH H342 2H34 H 0 0 N N N 15.429 17.213 73.383 -6.878  1.312  15.856 H342 EPH 80  
EPH H343 3H34 H 0 0 N N N 15.224 17.150 71.697 -5.623  0.796  17.008 H343 EPH 81  
EPH H371 1H37 H 0 0 N N N 22.203 12.222 87.312 5.391   -2.271 -3.704 H371 EPH 82  
EPH H372 2H37 H 0 0 N N N 23.753 12.639 87.785 4.136   -1.755 -4.856 H372 EPH 83  
EPH H51  1H5  H 0 1 N N N 19.433 14.683 84.831 1.022   1.180  -4.711 H51  EPH 84  
EPH H52  2H5  H 0 1 N N N 19.554 16.328 85.105 0.203   0.881  -3.159 H52  EPH 85  
EPH H61  1H6  H 0 1 N N N 21.090 16.586 82.942 -1.097  -0.955 -4.199 H61  EPH 86  
EPH H62  2H6  H 0 1 N N N 20.977 14.926 82.667 -0.278  -0.656 -5.751 H62  EPH 87  
EPH H71  1H7  H 0 1 N N N 18.267 15.321 82.911 -1.183  1.651  -5.785 H71  EPH 88  
EPH H72  2H7  H 0 1 N N N 18.655 16.971 82.662 -2.002  1.353  -4.233 H72  EPH 89  
EPH H81  1H8  H 0 1 N N N 19.838 16.307 80.408 -3.303  -0.483 -5.273 H81  EPH 90  
EPH H82  2H8  H 0 1 N N N 19.387 14.707 80.650 -2.484  -0.185 -6.825 H82  EPH 91  
EPH H91  1H9  H 0 1 N N N 16.920 16.041 81.264 -3.389  2.123  -6.858 H91  EPH 92  
EPH H92  2H9  H 0 1 N N N 17.595 17.117 80.102 -4.208  1.824  -5.306 H92  EPH 93  
EPH H101 1H10 H 0 0 N N N 17.826 14.489 78.856 -5.509  -0.012 -6.346 H101 EPH 94  
EPH H102 2H10 H 0 0 N N N 16.344 14.422 79.656 -4.690  0.286  -7.898 H102 EPH 95  
EPH H111 1H11 H 0 0 N N N 16.291 17.103 78.655 -5.596  2.594  -7.932 H111 EPH 96  
EPH H112 2H11 H 0 0 N N N 17.221 16.309 77.442 -6.414  2.295  -6.380 H112 EPH 97  
EPH H12  H12  H 0 1 N N N 14.227 16.240 77.490 -7.073  0.723  -8.979 H12  EPH 98  
EPH H13  H13  H 0 1 N N N 15.452 13.342 77.369 -8.593  1.809  -6.588 H13  EPH 99  
EPH H141 1H14 H 0 0 N N N 13.853 14.883 75.241 -9.251  0.237  -9.188 H141 EPH 100 
EPH H142 2H14 H 0 0 N N N 15.477 15.212 74.894 -10.331 1.473  -8.498 H142 EPH 101 
EPH H15  H15  H 0 1 N N N 14.113 12.451 74.415 -9.677  -1.204 -7.061 H15  EPH 102 
EPH H16  H16  H 0 1 N N N 17.143 13.367 73.805 -12.078 0.624  -7.380 H16  EPH 103 
EPH H171 1H17 H 0 0 N N N 15.908 10.893 75.437 -11.425 -2.053 -5.943 H171 EPH 104 
EPH H172 2H17 H 0 0 N N N 16.840 10.587 74.058 -12.996 -1.717 -6.708 H172 EPH 105 
EPH H351 1H35 H 0 0 N N N 18.899 11.741 75.142 -13.373 0.145  -5.115 H351 EPH 106 
EPH H352 2H35 H 0 0 N N N 17.984 12.176 76.491 -11.801 -0.190 -4.350 H352 EPH 107 
EPH H361 1H36 H 0 0 N N N 19.191 10.038 76.945 -13.653 -1.236 -3.075 H361 EPH 108 
EPH H362 2H36 H 0 0 N N N 17.384 9.644  76.901 -14.146 -2.136 -4.529 H362 EPH 109 
EPH H363 3H36 H 0 0 N N N 18.299 9.209  75.552 -12.574 -2.472 -3.764 H363 EPH 110 
EPH HO6  HO6  H 0 1 N N N 21.244 14.670 91.431 7.880   -1.332 -4.160 HO6  EPH 111 
EPH H381 1H38 H 0 0 N N N 22.117 10.768 90.473 8.757   -0.115 -6.405 H381 EPH 112 
EPH H382 2H38 H 0 0 N N N 22.140 11.278 88.849 7.502   0.400  -7.557 H382 EPH 113 
EPH H391 1H39 H 0 0 N N N 24.643 10.972 88.649 9.550   1.777  -7.796 H391 EPH 114 
EPH H392 2H39 H 0 0 N N N 24.914 11.068 90.268 8.178   2.763  -7.235 H392 EPH 115 
EPH HN11 1HN1 H 0 0 N N N 24.663 8.853  89.607 10.136  3.187  -6.015 HN11 EPH 116 
EPH HN12 2HN1 H 0 0 N N N 23.014 8.964  89.112 8.957   2.606  -5.070 HN12 EPH 117 
# 
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 
EPH C1  C2   SING N N 1   
EPH C1  O2   SING N N 2   
EPH C1  H11  SING N N 3   
EPH C1  H12A SING N N 4   
EPH C2  C37  SING N N 5   
EPH C2  O1   SING N N 6   
EPH C2  H2   SING N N 7   
EPH C4  O2   SING N N 8   
EPH C4  O4   DOUB N N 9   
EPH C4  C18  SING N N 10  
EPH C18 C19  SING N N 11  
EPH C18 H181 SING N N 12  
EPH C18 H182 SING N N 13  
EPH C19 C20  SING N N 14  
EPH C19 H191 SING N N 15  
EPH C19 H192 SING N N 16  
EPH C20 C21  SING N N 17  
EPH C20 H201 SING N N 18  
EPH C20 H202 SING N N 19  
EPH C21 C22  SING N N 20  
EPH C21 H211 SING N N 21  
EPH C21 H212 SING N N 22  
EPH C22 C23  SING N N 23  
EPH C22 H221 SING N N 24  
EPH C22 H222 SING N N 25  
EPH C23 C24  SING N N 26  
EPH C23 H231 SING N N 27  
EPH C23 H232 SING N N 28  
EPH C24 C25  DOUB N E 29  
EPH C24 H24  SING N N 30  
EPH C25 C26  SING N N 31  
EPH C25 H25  SING N N 32  
EPH C26 C27  SING N N 33  
EPH C26 H261 SING N N 34  
EPH C26 H262 SING N N 35  
EPH C27 C28  SING N N 36  
EPH C27 H271 SING N N 37  
EPH C27 H272 SING N N 38  
EPH C28 C29  DOUB N E 39  
EPH C28 H28  SING N N 40  
EPH C29 C30  SING N N 41  
EPH C29 H29  SING N N 42  
EPH C30 C31  SING N N 43  
EPH C30 H301 SING N N 44  
EPH C30 H302 SING N N 45  
EPH C31 C32  SING N N 46  
EPH C31 H311 SING N N 47  
EPH C31 H312 SING N N 48  
EPH C32 C33  DOUB N E 49  
EPH C32 H32  SING N N 50  
EPH C33 C34  SING N N 51  
EPH C33 H33  SING N N 52  
EPH C34 H341 SING N N 53  
EPH C34 H342 SING N N 54  
EPH C34 H343 SING N N 55  
EPH C37 O5   SING N N 56  
EPH C37 H371 SING N N 57  
EPH C37 H372 SING N N 58  
EPH O5  P1   SING N N 59  
EPH C3  O1   SING N N 60  
EPH C3  O3   DOUB N N 61  
EPH C3  C5   SING N N 62  
EPH C5  C6   SING N N 63  
EPH C5  H51  SING N N 64  
EPH C5  H52  SING N N 65  
EPH C6  C7   SING N N 66  
EPH C6  H61  SING N N 67  
EPH C6  H62  SING N N 68  
EPH C7  C8   SING N N 69  
EPH C7  H71  SING N N 70  
EPH C7  H72  SING N N 71  
EPH C8  C9   SING N N 72  
EPH C8  H81  SING N N 73  
EPH C8  H82  SING N N 74  
EPH C9  C10  SING N N 75  
EPH C9  H91  SING N N 76  
EPH C9  H92  SING N N 77  
EPH C10 C11  SING N N 78  
EPH C10 H101 SING N N 79  
EPH C10 H102 SING N N 80  
EPH C11 C12  SING N N 81  
EPH C11 H111 SING N N 82  
EPH C11 H112 SING N N 83  
EPH C12 C13  DOUB N E 84  
EPH C12 H12  SING N N 85  
EPH C13 C14  SING N N 86  
EPH C13 H13  SING N N 87  
EPH C14 C15  SING N N 88  
EPH C14 H141 SING N N 89  
EPH C14 H142 SING N N 90  
EPH C15 C16  DOUB N E 91  
EPH C15 H15  SING N N 92  
EPH C16 C17  SING N N 93  
EPH C16 H16  SING N N 94  
EPH C17 C35  SING N N 95  
EPH C17 H171 SING N N 96  
EPH C17 H172 SING N N 97  
EPH C35 C36  SING N N 98  
EPH C35 H351 SING N N 99  
EPH C35 H352 SING N N 100 
EPH C36 H361 SING N N 101 
EPH C36 H362 SING N N 102 
EPH C36 H363 SING N N 103 
EPH P1  O6   SING N N 104 
EPH P1  O7   DOUB N N 105 
EPH P1  O8   SING N N 106 
EPH O6  HO6  SING N N 107 
EPH O8  C38  SING N N 108 
EPH C38 C39  SING N N 109 
EPH C38 H381 SING N N 110 
EPH C38 H382 SING N N 111 
EPH C39 N1   SING N N 112 
EPH C39 H391 SING N N 113 
EPH C39 H392 SING N N 114 
EPH N1  HN11 SING N N 115 
EPH N1  HN12 SING N N 116 
# 
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 
EPH SMILES           ACDLabs              10.04 "O=C(OCC(OC(=O)CCCCCCC/C=C/C/C=C/CCC)COP(=O)(OCCN)O)CCCCCC/C=C/CC/C=C/CC/C=C/C" 
EPH SMILES_CANONICAL CACTVS               3.341 "CCC/C=C/C/C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCC\C=C\CC\C=C\CC\C=C\C)CO[P@@](O)(=O)OCCN" 
EPH SMILES           CACTVS               3.341 "CCCC=CCC=CCCCCCCCC(=O)O[CH](COC(=O)CCCCCCC=CCCC=CCCC=CC)CO[P](O)(=O)OCCN" 
EPH SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 "CCCC=CCC=CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC=CCCC=CCCC=CC)CO[P@](=O)(O)OCCN" 
EPH SMILES           "OpenEye OEToolkits" 1.5.0 "CCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCC=CCCC=CCCC=CC)COP(=O)(O)OCCN" 
EPH InChI            InChI                1.03  
;InChI=1S/C39H68NO8P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(41)45-35-37(36-47-49(43,44)46-34-33-40)48-39(42)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h3,5,8,10-11,13-14,16,18,20,37H,4,6-7,9,12,15,17,19,21-36,40H2,1-2H3,(H,43,44)/b5-3+,10-8+,13-11?,16-14+,20-18+/t37-/m1/s1
;
EPH InChIKey         InChI                1.03  MABRTXOVHMDVAT-AAEGOEIASA-N 
# 
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 
EPH "SYSTEMATIC NAME" ACDLabs              10.04 "(2R)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(9E,12E)-hexadeca-9,12-dienoyloxy]propyl (8E,12E,16E)-octadeca-8,12,16-trienoate" 
EPH "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 "[(2R)-3-(2-aminoethoxy-hydroxy-phosphoryl)oxy-2-hexadeca-9,12-dienoyloxy-propyl] octadeca-8,12,16-trienoate"                              
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
EPH "Create component"  2000-11-03 RCSB 
EPH "Modify descriptor" 2011-06-04 RCSB 
# 
