data_8PE # _chem_comp.id 8PE _chem_comp.name "(2R)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(tetradecanoyloxy)propyl octadecanoate" _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-SN-PHOSPHATIDYLETHANOLAMINE _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 2008-04-28 _chem_comp.pdbx_modified_date 2021-03-01 _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 8PE _chem_comp.pdbx_model_coordinates_details ? _chem_comp.pdbx_model_coordinates_missing_flag N _chem_comp.pdbx_ideal_coordinates_details Corina _chem_comp.pdbx_ideal_coordinates_missing_flag N _chem_comp.pdbx_model_coordinates_db_code 3CX5 _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 8PE P P P 0 1 N N S 33.199 5.938 79.609 -1.464 4.159 1.580 P 8PE 1 8PE N N N 0 1 N N N 35.548 9.662 80.668 2.515 2.712 2.780 N 8PE 2 8PE O11 O11 O 0 1 N N N 33.160 4.438 79.141 -1.898 3.439 0.207 O11 8PE 3 8PE O12 O12 O 0 1 N N N 33.202 6.852 78.338 -1.007 5.536 1.292 O12 8PE 4 8PE O13 O13 O 0 1 N N N 34.516 6.089 80.495 -0.267 3.329 2.266 O13 8PE 5 8PE O14 O14 O 0 1 N N N 31.900 6.276 80.399 -2.724 4.210 2.581 O14 8PE 6 8PE C11 C11 C 0 1 N N N 34.730 7.383 81.041 0.408 3.769 3.446 C11 8PE 7 8PE C12 C12 C 0 1 N N N 35.557 8.291 80.114 1.485 2.750 3.827 C12 8PE 8 8PE C1 C1 C 0 1 N N N 33.158 3.440 80.079 -2.865 3.990 -0.689 C1 8PE 9 8PE C2 C2 C 0 1 N N R 32.422 2.175 79.546 -3.040 3.057 -1.888 C2 8PE 10 8PE C3 C3 C 0 1 N N N 31.808 2.177 78.116 -1.679 2.804 -2.540 C3 8PE 11 8PE O31 O31 O 0 1 N N N 31.220 0.859 78.005 -0.751 2.299 -1.544 O31 8PE 12 8PE O32 O32 O 0 1 N N N 30.442 1.167 75.902 0.803 2.201 -3.112 O32 8PE 13 8PE C31 C31 C 0 1 N N N 30.578 0.513 76.844 0.497 2.025 -1.956 C31 8PE 14 8PE C32 C32 C 0 1 N N N 30.006 -0.865 76.836 1.515 1.498 -0.979 C32 8PE 15 8PE C33 C33 C 0 1 N N N 30.822 -1.882 77.583 2.845 1.270 -1.700 C33 8PE 16 8PE C34 C34 C 0 1 N N N 29.938 -3.038 77.982 3.878 0.735 -0.707 C34 8PE 17 8PE C35 C35 C 0 1 N N N 29.991 -4.146 76.953 5.208 0.508 -1.428 C35 8PE 18 8PE C36 C36 C 0 1 N N N 29.931 -5.506 77.629 6.242 -0.028 -0.435 C36 8PE 19 8PE C37 C37 C 0 1 N N N 30.843 -6.463 76.878 7.572 -0.255 -1.157 C37 8PE 20 8PE C38 C38 C 0 1 N N N 30.242 -7.871 76.794 8.606 -0.791 -0.164 C38 8PE 21 8PE C39 C39 C 0 1 N N N 28.764 -7.871 76.350 9.936 -1.018 -0.885 C39 8PE 22 8PE C3A C3A C 0 1 N N N 27.847 -8.388 77.458 10.969 -1.553 0.108 C3A 8PE 23 8PE C3B C3B C 0 1 N N N 26.461 -8.603 76.942 12.299 -1.781 -0.614 C3B 8PE 24 8PE C3C C3C C 0 1 N N N 25.944 -7.333 76.371 13.333 -2.316 0.379 C3C 8PE 25 8PE C3D C3D C 0 1 N N N 24.492 -7.281 76.602 14.663 -2.543 -0.342 C3D 8PE 26 8PE C3E C3E C 0 1 N N N 23.896 -7.833 75.371 15.697 -3.079 0.650 C3E 8PE 27 8PE C3F C3F C 0 1 N N N 22.547 -7.239 75.137 17.027 -3.306 -0.071 C3F 8PE 28 8PE C3G C3G C 0 1 N N N 21.903 -7.926 73.966 18.060 -3.842 0.922 C3G 8PE 29 8PE C3H C3H C 0 1 N N N 20.391 -7.895 74.121 19.390 -4.069 0.201 C3H 8PE 30 8PE C3I C3I C 0 1 N N N 19.791 -8.825 73.070 20.424 -4.604 1.194 C3I 8PE 31 8PE O21 O21 O 0 1 N N N 33.336 1.060 79.615 -3.604 1.796 -1.442 O21 8PE 32 8PE O22 O22 O 0 1 N N N 32.797 1.013 81.936 -5.620 2.634 -1.781 O22 8PE 33 8PE C21 C21 C 0 1 N N N 33.398 0.581 80.966 -4.943 1.697 -1.430 C21 8PE 34 8PE C22 C22 C 0 1 N N N 34.336 -0.597 81.145 -5.600 0.419 -0.979 C22 8PE 35 8PE C23 C23 C 0 1 N N N 33.808 -1.851 80.434 -7.121 0.571 -1.061 C23 8PE 36 8PE C24 C24 C 0 1 N N N 33.867 -3.091 81.344 -7.788 -0.728 -0.603 C24 8PE 37 8PE C25 C25 C 0 1 N N N 33.061 -4.236 80.673 -9.308 -0.576 -0.685 C25 8PE 38 8PE C26 C26 C 0 1 N N N 32.619 -5.349 81.647 -9.976 -1.874 -0.227 C26 8PE 39 8PE C27 C27 C 0 1 N N N 31.978 -6.434 80.778 -11.496 -1.722 -0.309 C27 8PE 40 8PE C28 C28 C 0 1 N N N 31.718 -7.757 81.519 -12.164 -3.020 0.149 C28 8PE 41 8PE C29 C29 C 0 1 N N N 31.260 -8.801 80.461 -13.684 -2.868 0.068 C29 8PE 42 8PE C2A C2A C 0 1 N N N 31.509 -10.267 80.867 -14.352 -4.166 0.525 C2A 8PE 43 8PE C2B C2B C 0 1 N N N 31.875 -11.010 79.566 -15.872 -4.014 0.444 C2B 8PE 44 8PE C2C C2C C 0 1 N N N 31.058 -12.339 79.440 -16.540 -5.313 0.901 C2C 8PE 45 8PE C2D C2D C 0 1 N N N 31.809 -13.496 80.172 -18.060 -5.161 0.820 C2D 8PE 46 8PE C2E C2E C 0 1 N N N 31.190 -14.890 79.888 -18.728 -6.459 1.278 C2E 8PE 47 8PE HN HN H 0 1 N N N 35.546 9.618 81.667 3.238 2.047 3.009 HN 8PE 48 8PE HNA HNA H 0 1 N N N 36.363 10.152 80.358 2.108 2.510 1.880 HNA 8PE 49 8PE HO14 HO14 H 0 0 N N N 32.101 6.345 81.325 -3.077 3.340 2.813 HO14 8PE 50 8PE H11 H11 H 0 1 N N N 33.751 7.856 81.207 0.874 4.736 3.259 H11 8PE 51 8PE H11A H11A H 0 0 N N N 35.294 7.261 81.978 -0.308 3.862 4.262 H11A 8PE 52 8PE H12 H12 H 0 1 N N N 35.117 8.294 79.106 1.033 1.764 3.928 H12 8PE 53 8PE H12A H12A H 0 0 N N N 36.590 7.919 80.048 1.940 3.040 4.774 H12A 8PE 54 8PE H1 H1 H 0 1 N N N 34.198 3.174 80.320 -3.818 4.100 -0.172 H1 8PE 55 8PE H1A H1A H 0 1 N N N 32.632 3.801 80.975 -2.525 4.967 -1.035 H1A 8PE 56 8PE H2 H2 H 0 1 N N N 31.540 2.124 80.202 -3.710 3.519 -2.614 H2 8PE 57 8PE H3 H3 H 0 1 N N N 31.053 2.968 78.001 -1.789 2.071 -3.339 H3 8PE 58 8PE H3A H3A H 0 1 N N N 32.551 2.382 77.331 -1.295 3.737 -2.954 H3A 8PE 59 8PE H32 H32 H 0 1 N N N 29.012 -0.820 77.305 1.656 2.221 -0.176 H32 8PE 60 8PE H32A H32A H 0 0 N N N 29.980 -1.190 75.786 1.162 0.555 -0.560 H32A 8PE 61 8PE H33 H33 H 0 1 N N N 31.635 -2.247 76.937 2.704 0.547 -2.503 H33 8PE 62 8PE H33A H33A H 0 0 N N N 31.251 -1.419 78.484 3.197 2.213 -2.118 H33A 8PE 63 8PE H34 H34 H 0 1 N N N 30.282 -3.433 78.949 4.020 1.458 0.096 H34 8PE 64 8PE H34A H34A H 0 0 N N N 28.901 -2.677 78.054 3.526 -0.208 -0.289 H34A 8PE 65 8PE H35 H35 H 0 1 N N N 29.134 -4.045 76.271 5.067 -0.216 -2.231 H35 8PE 66 8PE H35A H35A H 0 0 N N N 30.936 -4.068 76.395 5.561 1.451 -1.847 H35A 8PE 67 8PE H36 H36 H 0 1 N N N 30.265 -5.417 78.673 6.383 0.696 0.368 H36 8PE 68 8PE H36A H36A H 0 0 N N N 28.898 -5.885 77.617 5.890 -0.971 -0.017 H36A 8PE 69 8PE H37 H37 H 0 1 N N N 30.992 -6.081 75.857 7.431 -0.979 -1.960 H37 8PE 70 8PE H37A H37A H 0 0 N N N 31.797 -6.528 77.422 7.924 0.688 -1.575 H37A 8PE 71 8PE H38 H38 H 0 1 N N N 30.823 -8.451 76.062 8.747 -0.067 0.639 H38 8PE 72 8PE H38A H38A H 0 0 N N N 30.284 -8.309 77.802 8.253 -1.734 0.254 H38A 8PE 73 8PE H39 H39 H 0 1 N N N 28.470 -6.842 76.097 9.795 -1.741 -1.688 H39 8PE 74 8PE H39A H39A H 0 0 N N N 28.664 -8.535 75.479 10.288 -0.075 -1.304 H39A 8PE 75 8PE H3AA H3AA H 0 0 N N N 28.242 -9.343 77.834 11.111 -0.830 0.910 H3AA 8PE 76 8PE H3AB H3AB H 0 0 N N N 27.812 -7.641 78.265 10.617 -2.496 0.526 H3AB 8PE 77 8PE H3B H3B H 0 1 N N N 26.476 -9.377 76.161 12.158 -2.504 -1.417 H3B 8PE 78 8PE H3BA H3BA H 0 0 N N N 25.809 -8.927 77.766 12.652 -0.838 -1.032 H3BA 8PE 79 8PE H3C H3C H 0 1 N N N 26.431 -6.477 76.861 13.474 -1.593 1.182 H3C 8PE 80 8PE H3CA H3CA H 0 0 N N N 26.158 -7.288 75.293 12.981 -3.259 0.797 H3CA 8PE 81 8PE H3D H3D H 0 1 N N N 24.210 -7.879 77.481 14.522 -3.267 -1.145 H3D 8PE 82 8PE H3DA H3DA H 0 0 N N N 24.142 -6.259 76.809 15.015 -1.600 -0.761 H3DA 8PE 83 8PE H3E H3E H 0 1 N N N 24.548 -7.598 74.517 15.838 -2.355 1.454 H3E 8PE 84 8PE H3EA H3EA H 0 0 N N N 23.793 -8.923 75.480 15.344 -4.022 1.069 H3EA 8PE 85 8PE H3F H3F H 0 1 N N N 21.924 -7.375 76.033 16.885 -4.030 -0.874 H3F 8PE 86 8PE H3FA H3FA H 0 0 N N N 22.647 -6.164 74.926 17.379 -2.363 -0.489 H3FA 8PE 87 8PE H3G H3G H 0 1 N N N 22.186 -7.408 73.038 18.201 -3.118 1.725 H3G 8PE 88 8PE H3GA H3GA H 0 0 N N N 22.243 -8.971 73.925 17.708 -4.785 1.340 H3GA 8PE 89 8PE H3H H3H H 0 1 N N N 20.109 -8.235 75.128 19.249 -4.792 -0.602 H3H 8PE 90 8PE H3HA H3HA H 0 0 N N N 20.014 -6.871 73.984 19.743 -3.126 -0.218 H3HA 8PE 91 8PE H3I H3I H 0 1 N N N 19.647 -8.272 72.130 20.565 -3.881 1.997 H3I 8PE 92 8PE H3IA H3IA H 0 0 N N N 20.473 -9.671 72.897 20.072 -5.547 1.612 H3IA 8PE 93 8PE H3IB H3IB H 0 0 N N N 18.821 -9.202 73.426 21.372 -4.766 0.680 H3IB 8PE 94 8PE H22 H22 H 0 1 N N N 35.317 -0.336 80.721 -5.282 -0.401 -1.624 H22 8PE 95 8PE H22A H22A H 0 0 N N N 34.415 -0.816 82.220 -5.311 0.205 0.050 H22A 8PE 96 8PE H23 H23 H 0 1 N N N 32.762 -1.677 80.142 -7.439 1.390 -0.416 H23 8PE 97 8PE H23A H23A H 0 0 N N N 34.442 -2.040 79.555 -7.410 0.785 -2.090 H23A 8PE 98 8PE H24 H24 H 0 1 N N N 34.913 -3.403 81.481 -7.470 -1.547 -1.248 H24 8PE 99 8PE H24A H24A H 0 0 N N N 33.436 -2.855 82.328 -7.499 -0.942 0.426 H24A 8PE 100 8PE H25 H25 H 0 1 N N N 32.157 -3.798 80.226 -9.627 0.244 -0.040 H25 8PE 101 8PE H25A H25A H 0 0 N N N 33.726 -4.704 79.932 -9.597 -0.362 -1.714 H25A 8PE 102 8PE H26 H26 H 0 1 N N N 33.483 -5.751 82.196 -9.658 -2.693 -0.872 H26 8PE 103 8PE H26A H26A H 0 0 N N N 31.915 -4.968 82.401 -9.687 -2.088 0.802 H26A 8PE 104 8PE H27 H27 H 0 1 N N N 31.012 -6.052 80.415 -11.815 -0.903 0.336 H27 8PE 105 8PE H27A H27A H 0 0 N N N 32.687 -6.655 79.966 -11.785 -1.508 -1.338 H27A 8PE 106 8PE H28 H28 H 0 1 N N N 32.637 -8.100 82.017 -11.846 -3.839 -0.496 H28 8PE 107 8PE H28A H28A H 0 0 N N N 30.946 -7.623 82.291 -11.875 -3.234 1.178 H28A 8PE 108 8PE H29 H29 H 0 1 N N N 30.179 -8.672 80.306 -14.003 -2.049 0.712 H29 8PE 109 8PE H29A H29A H 0 0 N N N 31.855 -8.617 79.555 -13.973 -2.654 -0.961 H29A 8PE 110 8PE H2A H2A H 0 1 N N N 32.330 -10.334 81.596 -14.034 -4.986 -0.119 H2A 8PE 111 8PE H2AA H2AA H 0 0 N N N 30.622 -10.708 81.346 -14.063 -4.380 1.554 H2AA 8PE 112 8PE H2B H2B H 0 1 N N N 31.645 -10.364 78.706 -16.191 -3.195 1.088 H2B 8PE 113 8PE H2BA H2BA H 0 0 N N N 32.947 -11.254 79.587 -16.161 -3.800 -0.585 H2BA 8PE 114 8PE H2C H2C H 0 1 N N N 30.067 -12.202 79.897 -16.222 -6.132 0.257 H2C 8PE 115 8PE H2CA H2CA H 0 0 N N N 30.946 -12.596 78.376 -16.251 -5.527 1.930 H2CA 8PE 116 8PE H2D H2D H 0 1 N N N 32.854 -13.504 79.827 -18.378 -4.341 1.464 H2D 8PE 117 8PE H2DA H2DA H 0 0 N N N 31.731 -13.311 81.254 -18.349 -4.947 -0.209 H2DA 8PE 118 8PE H2E H2E H 0 1 N N N 31.044 -15.013 78.805 -18.409 -7.278 0.633 H2E 8PE 119 8PE H2EA H2EA H 0 0 N N N 31.867 -15.674 80.258 -18.439 -6.673 2.306 H2EA 8PE 120 8PE H2EB H2EB H 0 0 N N N 30.220 -14.971 80.400 -19.811 -6.351 1.219 H2EB 8PE 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 8PE O12 P DOUB N N 1 8PE O11 P SING N N 2 8PE P O14 SING N N 3 8PE P O13 SING N N 4 8PE C12 N SING N N 5 8PE N HN SING N N 6 8PE N HNA SING N N 7 8PE O11 C1 SING N N 8 8PE O13 C11 SING N N 9 8PE O14 HO14 SING N N 10 8PE C12 C11 SING N N 11 8PE C11 H11 SING N N 12 8PE C11 H11A SING N N 13 8PE C12 H12 SING N N 14 8PE C12 H12A SING N N 15 8PE C2 C1 SING N N 16 8PE C1 H1 SING N N 17 8PE C1 H1A SING N N 18 8PE C3 C2 SING N N 19 8PE C2 O21 SING N N 20 8PE C2 H2 SING N N 21 8PE O31 C3 SING N N 22 8PE C3 H3 SING N N 23 8PE C3 H3A SING N N 24 8PE C31 O31 SING N N 25 8PE O32 C31 DOUB N N 26 8PE C32 C31 SING N N 27 8PE C32 C33 SING N N 28 8PE C32 H32 SING N N 29 8PE C32 H32A SING N N 30 8PE C33 C34 SING N N 31 8PE C33 H33 SING N N 32 8PE C33 H33A SING N N 33 8PE C35 C34 SING N N 34 8PE C34 H34 SING N N 35 8PE C34 H34A SING N N 36 8PE C35 C36 SING N N 37 8PE C35 H35 SING N N 38 8PE C35 H35A SING N N 39 8PE C37 C36 SING N N 40 8PE C36 H36 SING N N 41 8PE C36 H36A SING N N 42 8PE C38 C37 SING N N 43 8PE C37 H37 SING N N 44 8PE C37 H37A SING N N 45 8PE C39 C38 SING N N 46 8PE C38 H38 SING N N 47 8PE C38 H38A SING N N 48 8PE C39 C3A SING N N 49 8PE C39 H39 SING N N 50 8PE C39 H39A SING N N 51 8PE C3B C3A SING N N 52 8PE C3A H3AA SING N N 53 8PE C3A H3AB SING N N 54 8PE C3C C3B SING N N 55 8PE C3B H3B SING N N 56 8PE C3B H3BA SING N N 57 8PE C3C C3D SING N N 58 8PE C3C H3C SING N N 59 8PE C3C H3CA SING N N 60 8PE C3E C3D SING N N 61 8PE C3D H3D SING N N 62 8PE C3D H3DA SING N N 63 8PE C3F C3E SING N N 64 8PE C3E H3E SING N N 65 8PE C3E H3EA SING N N 66 8PE C3G C3F SING N N 67 8PE C3F H3F SING N N 68 8PE C3F H3FA SING N N 69 8PE C3G C3H SING N N 70 8PE C3G H3G SING N N 71 8PE C3G H3GA SING N N 72 8PE C3I C3H SING N N 73 8PE C3H H3H SING N N 74 8PE C3H H3HA SING N N 75 8PE C3I H3I SING N N 76 8PE C3I H3IA SING N N 77 8PE C3I H3IB SING N N 78 8PE O21 C21 SING N N 79 8PE C21 O22 DOUB N N 80 8PE C21 C22 SING N N 81 8PE C23 C22 SING N N 82 8PE C22 H22 SING N N 83 8PE C22 H22A SING N N 84 8PE C23 C24 SING N N 85 8PE C23 H23 SING N N 86 8PE C23 H23A SING N N 87 8PE C25 C24 SING N N 88 8PE C24 H24 SING N N 89 8PE C24 H24A SING N N 90 8PE C25 C26 SING N N 91 8PE C25 H25 SING N N 92 8PE C25 H25A SING N N 93 8PE C27 C26 SING N N 94 8PE C26 H26 SING N N 95 8PE C26 H26A SING N N 96 8PE C27 C28 SING N N 97 8PE C27 H27 SING N N 98 8PE C27 H27A SING N N 99 8PE C29 C28 SING N N 100 8PE C28 H28 SING N N 101 8PE C28 H28A SING N N 102 8PE C29 C2A SING N N 103 8PE C29 H29 SING N N 104 8PE C29 H29A SING N N 105 8PE C2B C2A SING N N 106 8PE C2A H2A SING N N 107 8PE C2A H2AA SING N N 108 8PE C2C C2B SING N N 109 8PE C2B H2B SING N N 110 8PE C2B H2BA SING N N 111 8PE C2C C2D SING N N 112 8PE C2C H2C SING N N 113 8PE C2C H2CA SING N N 114 8PE C2E C2D SING N N 115 8PE C2D H2D SING N N 116 8PE C2D H2DA SING N N 117 8PE C2E H2E SING N N 118 8PE C2E H2EA SING N N 119 8PE C2E H2EB 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 8PE SMILES ACDLabs 10.04 "O=C(OCC(OC(=O)CCCCCCCCCCCCC)COP(=O)(OCCN)O)CCCCCCCCCCCCCCCCC" 8PE SMILES_CANONICAL CACTVS 3.341 "CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC" 8PE SMILES CACTVS 3.341 "CCCCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC" 8PE SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 "CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCCN)OC(=O)CCCCCCCCCCCCC" 8PE SMILES "OpenEye OEToolkits" 1.5.0 "CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCC" 8PE InChI InChI 1.03 "InChI=1S/C37H74NO8P/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-29-36(39)43-33-35(34-45-47(41,42)44-32-31-38)46-37(40)30-28-26-24-22-19-14-12-10-8-6-4-2/h35H,3-34,38H2,1-2H3,(H,41,42)/t35-/m1/s1" 8PE InChIKey InChI 1.03 RFJQNULIDFTTLL-PGUFJCEWSA-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 8PE "SYSTEMATIC NAME" ACDLabs 10.04 "(2R)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(tetradecanoyloxy)propyl octadecanoate" 8PE "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 "[(2R)-3-(2-aminoethoxy-hydroxy-phosphoryl)oxy-2-tetradecanoyloxy-propyl] octadecanoate" # # loop_ _pdbx_chem_comp_audit.comp_id _pdbx_chem_comp_audit.action_type _pdbx_chem_comp_audit.date _pdbx_chem_comp_audit.processing_site 8PE "Create component" 2008-04-28 RCSB 8PE "Modify descriptor" 2011-06-04 RCSB 8PE "Modify synonyms" 2021-03-01 PDBE # _pdbx_chem_comp_synonyms.ordinal 1 _pdbx_chem_comp_synonyms.comp_id 8PE _pdbx_chem_comp_synonyms.name 3-SN-PHOSPHATIDYLETHANOLAMINE _pdbx_chem_comp_synonyms.provenance ? _pdbx_chem_comp_synonyms.type ? ##