data_P0E # _chem_comp.id P0E _chem_comp.name "PHOSPHATIDYL ETHANOL" _chem_comp.type NON-POLYMER _chem_comp.pdbx_type HETAIN _chem_comp.formula "C39 H73 O9 P" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms "(2S)-2-[(9E)-HEXADEC-9-ENOYLOXY]-3-{[HYDROXY(2-HYDROXYETHOXY)PHOSPHORYL]OXY}PROPYL (9E)-OCTADEC-9-ENOATE" _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 2005-04-29 _chem_comp.pdbx_modified_date 2020-06-17 _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 716.965 _chem_comp.one_letter_code ? _chem_comp.three_letter_code P0E _chem_comp.pdbx_model_coordinates_details ? _chem_comp.pdbx_model_coordinates_missing_flag Y _chem_comp.pdbx_ideal_coordinates_details ? _chem_comp.pdbx_ideal_coordinates_missing_flag N _chem_comp.pdbx_model_coordinates_db_code 1YOW _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 P0E O1 O1 O 0 1 N N N 22.654 31.351 54.313 14.497 5.558 -10.531 O1 P0E 1 P0E C2 C2 C 0 1 N N S 21.883 30.267 54.923 13.569 4.786 -11.296 C2 P0E 2 P0E C3 C3 C 0 1 N N N 20.723 29.877 54.041 14.229 3.455 -11.632 C3 P0E 3 P0E C4 C4 C 0 1 N N N 22.804 29.113 55.187 12.302 4.587 -10.471 C4 P0E 4 P0E O5 O5 O 0 1 N N N 19.805 30.997 54.024 15.392 3.702 -12.428 O5 P0E 5 P0E O6 O6 O 0 1 N N N 23.145 29.205 56.560 12.619 3.920 -9.253 O6 P0E 6 P0E O7 O7 O 0 1 N N N 25.364 29.219 57.800 10.684 4.817 -7.720 O7 P0E 7 P0E P8 P8 P 0 1 N N S 24.197 28.244 57.310 11.417 3.605 -8.219 P8 P0E 8 P0E O9 O9 O 0 1 N N N 24.824 27.117 56.310 12.155 2.754 -7.057 O9 P0E 9 P0E O10 O10 O 0 1 N N N 23.498 27.544 58.578 10.488 2.517 -8.977 O10 P0E 10 P0E C11 C11 C 0 1 N N N 22.795 32.684 54.780 14.067 6.800 -10.164 C11 P0E 11 P0E O12 O12 O 0 1 N N N 23.548 33.484 54.247 12.978 7.293 -10.429 O12 P0E 12 P0E C13 C13 C 0 1 N N N 18.451 30.786 54.130 16.091 2.594 -12.808 C13 P0E 13 P0E O14 O14 O 0 1 N N N 17.953 29.736 54.518 15.814 1.434 -12.532 O14 P0E 14 P0E C15 C15 C 0 1 N N N 21.938 33.080 56.010 15.137 7.510 -9.372 C15 P0E 15 P0E C16 C16 C 0 1 N N N 22.195 34.361 56.856 15.475 6.794 -8.067 C16 P0E 16 P0E C17 C17 C 0 1 N N N 23.361 35.341 56.524 14.279 6.724 -7.113 C17 P0E 17 P0E C18 C18 C 0 1 N N N 23.272 36.513 57.537 14.653 6.027 -5.803 C18 P0E 18 P0E C19 C19 C 0 1 N N N 24.267 37.655 57.327 13.445 5.923 -4.870 C19 P0E 19 P0E C20 C20 C 0 1 N N N 24.946 38.097 58.658 13.803 5.191 -3.571 C20 P0E 20 P0E C21 C21 C 0 1 N N N 24.028 38.148 59.906 12.621 5.095 -2.596 C21 P0E 21 P0E C22 C22 C 0 1 N N N 24.473 37.125 60.966 11.380 4.378 -3.063 C22 P0E 22 P0E C23 C23 C 0 1 N N N 23.790 36.597 62.022 11.087 3.080 -2.886 C23 P0E 23 P0E C24 C24 C 0 1 N N N 17.599 31.993 53.719 17.287 2.998 -13.635 C24 P0E 24 P0E C25 C25 C 0 1 N N N 18.288 33.351 53.981 18.082 1.790 -14.125 C25 P0E 25 P0E C26 C26 C 0 1 N N N 18.386 33.672 55.492 19.333 2.198 -14.908 C26 P0E 26 P0E C27 C27 C 0 1 N N N 18.048 35.140 55.804 20.146 1.004 -15.417 C27 P0E 27 P0E C28 C28 C 0 1 N N N 18.168 35.462 57.303 21.380 1.352 -16.258 C28 P0E 28 P0E C29 C29 C 0 1 N N N 17.857 36.940 57.590 22.123 0.119 -16.784 C29 P0E 29 P0E C30 C30 C 0 1 N N N 19.029 37.621 58.323 23.358 0.471 -17.621 C30 P0E 30 P0E C31 C31 C 0 1 N N N 19.223 39.079 57.914 24.040 -0.735 -18.202 C31 P0E 31 P0E C32 C32 C 0 1 N N N 19.499 40.136 58.713 24.160 -0.958 -19.519 C32 P0E 32 P0E C33 C33 C 0 1 N N N 19.672 40.083 60.210 23.629 -0.031 -20.574 C33 P0E 33 P0E C34 C34 C 0 1 N N N 22.358 36.845 62.516 11.972 2.101 -2.172 C34 P0E 34 P0E C35 C35 C 0 1 N N N 19.974 41.438 60.834 24.709 0.487 -21.531 C35 P0E 35 P0E C36 C36 C 0 1 N N N 21.447 41.570 61.255 24.161 1.418 -22.618 C36 P0E 36 P0E C37 C37 C 0 1 N N N 21.704 41.032 62.683 25.282 1.931 -23.526 C37 P0E 37 P0E C38 C38 C 0 1 N N N 23.203 40.777 62.947 24.804 2.938 -24.577 C38 P0E 38 P0E C39 C39 C 0 1 N N N 23.486 40.226 64.337 25.894 3.553 -25.460 C39 P0E 39 P0E C40 C40 C 0 1 N N N 23.138 41.193 65.443 25.365 4.595 -26.445 C40 P0E 40 P0E C41 C41 C 0 1 N N N 23.387 40.604 66.847 26.469 5.109 -27.357 C41 P0E 41 P0E C42 C42 C 0 1 N N N 21.259 36.632 61.439 11.663 1.985 -0.674 C42 P0E 42 P0E C43 C43 C 0 1 N N N 19.980 35.994 62.003 10.258 1.483 -0.312 C43 P0E 43 P0E C44 C44 C 0 1 N N N 19.325 36.805 63.158 9.979 1.478 1.193 C44 P0E 44 P0E C45 C45 C 0 1 N N N 17.913 37.261 62.799 8.550 1.051 1.537 C45 P0E 45 P0E C46 C46 C 0 1 N N N 17.331 38.095 63.924 8.242 1.118 3.025 C46 P0E 46 P0E C47 C47 C 0 1 N N N ? ? ? 11.063 1.329 -9.494 C47 P0E 47 P0E C48 C48 C 0 1 N N N ? ? ? 9.977 0.497 -10.147 C48 P0E 48 P0E O49 O49 O 0 1 N N N ? ? ? 9.374 1.255 -11.189 O49 P0E 49 P0E H2 H2 H 0 1 N N N 21.452 30.600 55.879 13.361 5.355 -12.209 H2 P0E 50 P0E H31A 1H3 H 0 0 N N N 21.076 29.658 53.022 13.556 2.813 -12.210 H31A P0E 51 P0E H32A 2H3 H 0 0 N N N 20.228 28.973 54.424 14.544 2.931 -10.725 H32A P0E 52 P0E H41 1H4 H 0 1 N N N 22.304 28.157 54.972 11.563 3.982 -11.006 H41 P0E 53 P0E H42 2H4 H 0 1 N N N 23.696 29.150 54.544 11.848 5.547 -10.207 H42 P0E 54 P0E HO9 HO9 H 0 1 N N N 24.946 27.492 55.446 11.665 2.558 -6.230 HO9 P0E 55 P0E H151 1H15 H 0 0 N N N 20.915 33.194 55.621 16.028 7.593 -10.004 H151 P0E 56 P0E H152 2H15 H 0 0 N N N 22.189 32.283 56.726 14.799 8.533 -9.174 H152 P0E 57 P0E H161 1H16 H 0 0 N N N 21.275 34.958 56.775 15.837 5.781 -8.275 H161 P0E 58 P0E H162 2H16 H 0 0 N N N 22.493 33.951 57.832 16.295 7.332 -7.576 H162 P0E 59 P0E H171 1H17 H 0 0 N N N 24.329 34.828 56.618 13.456 6.179 -7.590 H171 P0E 60 P0E H172 2H17 H 0 0 N N N 23.280 35.710 55.491 13.916 7.736 -6.899 H172 P0E 61 P0E H181 1H18 H 0 0 N N N 22.261 36.939 57.458 15.459 6.580 -5.306 H181 P0E 62 P0E H182 2H18 H 0 0 N N N 23.512 36.081 58.520 15.034 5.022 -6.019 H182 P0E 63 P0E H191 1H19 H 0 0 N N N 25.048 37.315 56.631 12.636 5.406 -5.396 H191 P0E 64 P0E H192 2H19 H 0 0 N N N 23.714 38.517 56.926 13.075 6.927 -4.630 H192 P0E 65 P0E H201 1H20 H 0 0 N N N 25.749 37.376 58.871 14.615 5.739 -3.077 H201 P0E 66 P0E H202 2H20 H 0 0 N N N 25.286 39.130 58.493 14.197 4.191 -3.787 H202 P0E 67 P0E H211 1H21 H 0 0 N N N 24.075 39.157 60.342 12.964 4.594 -1.683 H211 P0E 68 P0E H212 2H21 H 0 0 N N N 23.001 37.904 59.595 12.331 6.111 -2.301 H212 P0E 69 P0E H22 H22 H 0 1 N N N 25.487 36.769 60.856 10.667 4.998 -3.603 H22 P0E 70 P0E H23 H23 H 0 1 N N N 24.351 35.885 62.609 10.157 2.678 -3.274 H23 P0E 71 P0E H241 1H24 H 0 0 N N N 17.393 31.916 52.641 17.919 3.649 -13.020 H241 P0E 72 P0E H242 2H24 H 0 0 N N N 16.684 31.969 54.329 16.941 3.606 -14.478 H242 P0E 73 P0E H251 1H25 H 0 0 N N N 19.305 33.315 53.563 17.438 1.156 -14.744 H251 P0E 74 P0E H252 2H25 H 0 0 N N N 17.683 34.137 53.505 18.383 1.192 -13.256 H252 P0E 75 P0E H261 1H26 H 0 0 N N N 17.676 33.028 56.032 19.981 2.797 -14.255 H261 P0E 76 P0E H262 2H26 H 0 0 N N N 19.424 33.491 55.808 19.063 2.847 -15.748 H262 P0E 77 P0E H271 1H27 H 0 0 N N N 18.747 35.785 55.251 20.464 0.408 -14.552 H271 P0E 78 P0E H272 2H27 H 0 0 N N N 17.005 35.318 55.503 19.492 0.355 -16.013 H272 P0E 79 P0E H281 1H28 H 0 0 N N N 17.454 34.836 57.858 21.047 1.958 -17.110 H281 P0E 80 P0E H282 2H28 H 0 0 N N N 19.202 35.259 57.618 22.055 1.987 -15.676 H282 P0E 81 P0E H291 1H29 H 0 0 N N N 17.682 37.460 56.636 22.424 -0.529 -15.952 H291 P0E 82 P0E H292 2H29 H 0 0 N N N 16.965 36.992 58.231 21.438 -0.465 -17.411 H292 P0E 83 P0E H301 1H30 H 0 0 N N N 18.826 37.590 59.404 24.080 1.025 -17.009 H301 P0E 84 P0E H302 2H30 H 0 0 N N N 19.947 37.077 58.055 23.047 1.151 -18.424 H302 P0E 85 P0E H31 H31 H 0 1 N N N 19.129 39.293 56.860 24.467 -1.448 -17.501 H31 P0E 86 P0E H32 H32 H 0 1 N N N 19.604 41.100 58.238 24.649 -1.867 -19.860 H32 P0E 87 P0E H331 1H33 H 0 0 N N N 18.738 39.704 60.650 23.141 0.833 -20.106 H331 P0E 88 P0E H332 2H33 H 0 0 N N N 20.533 39.430 60.416 22.851 -0.554 -21.143 H332 P0E 89 P0E H341 1H34 H 0 0 N N N 22.161 36.145 63.342 13.026 2.383 -2.287 H341 P0E 90 P0E H342 2H34 H 0 0 N N N 22.306 37.902 62.815 11.871 1.121 -2.654 H342 P0E 91 P0E H351 1H35 H 0 0 N N N 19.750 42.221 60.095 25.455 1.032 -20.939 H351 P0E 92 P0E H352 2H35 H 0 0 N N N 19.353 41.541 61.736 25.231 -0.358 -21.997 H352 P0E 93 P0E H361 1H36 H 0 0 N N N 22.064 40.995 60.549 23.419 0.881 -23.218 H361 P0E 94 P0E H362 2H36 H 0 0 N N N 21.705 42.639 61.247 23.652 2.269 -22.150 H362 P0E 95 P0E H371 1H37 H 0 0 N N N 21.342 41.775 63.408 25.782 1.088 -24.014 H371 P0E 96 P0E H372 2H37 H 0 0 N N N 21.173 40.074 62.786 26.044 2.424 -22.909 H372 P0E 97 P0E H381 1H38 H 0 0 N N N 23.562 40.046 62.208 24.069 2.448 -25.228 H381 P0E 98 P0E H382 2H38 H 0 0 N N N 23.719 41.745 62.868 24.268 3.745 -24.063 H382 P0E 99 P0E H391 1H39 H 0 0 N N N 22.886 39.315 64.475 26.678 3.996 -24.835 H391 P0E 100 P0E H392 2H39 H 0 0 N N N 24.567 40.030 64.399 26.374 2.740 -26.021 H392 P0E 101 P0E H401 1H40 H 0 0 N N N 23.761 42.092 65.328 24.937 5.445 -25.904 H401 P0E 102 P0E H402 2H40 H 0 0 N N N 22.065 41.422 65.362 24.567 4.159 -27.057 H402 P0E 103 P0E H411 1H41 H 0 0 N N N 23.446 39.508 66.780 26.902 4.295 -27.947 H411 P0E 104 P0E H412 2H41 H 0 0 N N N 24.333 40.998 67.247 26.070 5.856 -28.050 H412 P0E 105 P0E H413 3H41 H 0 0 N N N 22.560 40.886 67.515 27.270 5.577 -26.776 H413 P0E 106 P0E H421 1H42 H 0 0 N N N 20.997 37.612 61.014 11.802 2.969 -0.207 H421 P0E 107 P0E H422 2H42 H 0 0 N N N 21.666 35.944 60.683 12.407 1.321 -0.216 H422 P0E 108 P0E H431 1H43 H 0 0 N N N 19.249 35.917 61.185 10.111 0.482 -0.731 H431 P0E 109 P0E H432 2H43 H 0 0 N N N 20.265 35.016 62.419 9.526 2.133 -0.808 H432 P0E 110 P0E H441 1H44 H 0 0 N N N 19.273 36.167 64.052 10.681 0.815 1.711 H441 P0E 111 P0E H442 2H44 H 0 0 N N N 19.939 37.699 63.341 10.145 2.487 1.589 H442 P0E 112 P0E H451 1H45 H 0 0 N N N 17.950 37.866 61.881 8.362 0.035 1.169 H451 P0E 113 P0E H452 2H45 H 0 0 N N N 17.278 36.376 62.642 7.854 1.713 1.008 H452 P0E 114 P0E H461 1H46 H 0 0 N N N 17.190 37.464 64.814 7.181 0.911 3.199 H461 P0E 115 P0E H462 2H46 H 0 0 N N N 18.020 38.918 64.164 8.818 0.377 3.587 H462 P0E 116 P0E H463 3H46 H 0 0 N N N 16.361 38.508 63.610 8.464 2.110 3.430 H463 P0E 117 P0E H471 1H47 H 0 0 N N N ? ? ? 11.834 1.611 -10.218 H471 P0E 118 P0E H472 2H47 H 0 0 N N N ? ? ? 11.519 0.780 -8.665 H472 P0E 119 P0E H481 1H48 H 0 0 N N N ? ? ? 9.198 0.228 -9.427 H481 P0E 120 P0E H482 2H48 H 0 0 N N N ? ? ? 10.401 -0.411 -10.586 H482 P0E 121 P0E H49 H49 H 0 1 N N N ? ? ? 8.860 1.959 -10.760 H49 P0E 122 # # 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 P0E O1 C2 SING N N 1 P0E O1 C11 SING N N 2 P0E C2 C3 SING N N 3 P0E C2 C4 SING N N 4 P0E C2 H2 SING N N 5 P0E C3 O5 SING N N 6 P0E C3 H31A SING N N 7 P0E C3 H32A SING N N 8 P0E C4 O6 SING N N 9 P0E C4 H41 SING N N 10 P0E C4 H42 SING N N 11 P0E O5 C13 SING N N 12 P0E O6 P8 SING N N 13 P0E O7 P8 DOUB N N 14 P0E P8 O9 SING N N 15 P0E P8 O10 SING N N 16 P0E O9 HO9 SING N N 17 P0E O10 C47 SING N N 18 P0E C11 O12 DOUB N N 19 P0E C11 C15 SING N N 20 P0E C13 O14 DOUB N N 21 P0E C13 C24 SING N N 22 P0E C15 C16 SING N N 23 P0E C15 H151 SING N N 24 P0E C15 H152 SING N N 25 P0E C16 C17 SING N N 26 P0E C16 H161 SING N N 27 P0E C16 H162 SING N N 28 P0E C17 C18 SING N N 29 P0E C17 H171 SING N N 30 P0E C17 H172 SING N N 31 P0E C18 C19 SING N N 32 P0E C18 H181 SING N N 33 P0E C18 H182 SING N N 34 P0E C19 C20 SING N N 35 P0E C19 H191 SING N N 36 P0E C19 H192 SING N N 37 P0E C20 C21 SING N N 38 P0E C20 H201 SING N N 39 P0E C20 H202 SING N N 40 P0E C21 C22 SING N N 41 P0E C21 H211 SING N N 42 P0E C21 H212 SING N N 43 P0E C22 C23 DOUB N Z 44 P0E C22 H22 SING N N 45 P0E C23 C34 SING N N 46 P0E C23 H23 SING N N 47 P0E C24 C25 SING N N 48 P0E C24 H241 SING N N 49 P0E C24 H242 SING N N 50 P0E C25 C26 SING N N 51 P0E C25 H251 SING N N 52 P0E C25 H252 SING N N 53 P0E C26 C27 SING N N 54 P0E C26 H261 SING N N 55 P0E C26 H262 SING N N 56 P0E C27 C28 SING N N 57 P0E C27 H271 SING N N 58 P0E C27 H272 SING N N 59 P0E C28 C29 SING N N 60 P0E C28 H281 SING N N 61 P0E C28 H282 SING N N 62 P0E C29 C30 SING N N 63 P0E C29 H291 SING N N 64 P0E C29 H292 SING N N 65 P0E C30 C31 SING N N 66 P0E C30 H301 SING N N 67 P0E C30 H302 SING N N 68 P0E C31 C32 DOUB N Z 69 P0E C31 H31 SING N N 70 P0E C32 C33 SING N N 71 P0E C32 H32 SING N N 72 P0E C33 C35 SING N N 73 P0E C33 H331 SING N N 74 P0E C33 H332 SING N N 75 P0E C34 C42 SING N N 76 P0E C34 H341 SING N N 77 P0E C34 H342 SING N N 78 P0E C35 C36 SING N N 79 P0E C35 H351 SING N N 80 P0E C35 H352 SING N N 81 P0E C36 C37 SING N N 82 P0E C36 H361 SING N N 83 P0E C36 H362 SING N N 84 P0E C37 C38 SING N N 85 P0E C37 H371 SING N N 86 P0E C37 H372 SING N N 87 P0E C38 C39 SING N N 88 P0E C38 H381 SING N N 89 P0E C38 H382 SING N N 90 P0E C39 C40 SING N N 91 P0E C39 H391 SING N N 92 P0E C39 H392 SING N N 93 P0E C40 C41 SING N N 94 P0E C40 H401 SING N N 95 P0E C40 H402 SING N N 96 P0E C41 H411 SING N N 97 P0E C41 H412 SING N N 98 P0E C41 H413 SING N N 99 P0E C42 C43 SING N N 100 P0E C42 H421 SING N N 101 P0E C42 H422 SING N N 102 P0E C43 C44 SING N N 103 P0E C43 H431 SING N N 104 P0E C43 H432 SING N N 105 P0E C44 C45 SING N N 106 P0E C44 H441 SING N N 107 P0E C44 H442 SING N N 108 P0E C45 C46 SING N N 109 P0E C45 H451 SING N N 110 P0E C45 H452 SING N N 111 P0E C46 H461 SING N N 112 P0E C46 H462 SING N N 113 P0E C46 H463 SING N N 114 P0E C47 C48 SING N N 115 P0E C47 H471 SING N N 116 P0E C47 H472 SING N N 117 P0E C48 O49 SING N N 118 P0E C48 H481 SING N N 119 P0E C48 H482 SING N N 120 P0E O49 H49 SING N N 121 # # 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 P0E SMILES ACDLabs 10.04 "O=C(OC(COP(=O)(OCCO)O)COC(=O)CCCCCCC\C=C/CCCCCCCC)CCCCCCC\C=C/CCCCCC" P0E SMILES_CANONICAL CACTVS 3.341 "CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@@H](CO[P@@](O)(=O)OCCO)OC(=O)CCCCCCC\C=C/CCCCCC" P0E SMILES CACTVS 3.341 "CCCCCCCCC=CCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCCO)OC(=O)CCCCCCCC=CCCCCCC" P0E SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 "CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@@H](CO[P@](=O)(O)OCCO)OC(=O)CCCCCCC\C=C/CCCCCC" P0E SMILES "OpenEye OEToolkits" 1.5.0 "CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCCO)OC(=O)CCCCCCCC=CCCCCCC" P0E InChI InChI 1.03 "InChI=1S/C39H73O9P/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/h14,16-18,37,40H,3-13,15,19-36H2,1-2H3,(H,43,44)/b16-14-,18-17-/t37-/m0/s1" P0E InChIKey InChI 1.03 PGYPLYNHOCZJEB-JSTCSLLMSA-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 P0E "SYSTEMATIC NAME" ACDLabs 10.04 "(2S)-2-[(9Z)-hexadec-9-enoyloxy]-3-{[(R)-hydroxy(2-hydroxyethoxy)phosphoryl]oxy}propyl (9Z)-octadec-9-enoate" P0E "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 "[(2S)-2-[(Z)-hexadec-9-enoyl]oxy-3-(hydroxy-(2-hydroxyethoxy)phosphoryl)oxy-propyl] (Z)-octadec-9-enoate" # # loop_ _pdbx_chem_comp_audit.comp_id _pdbx_chem_comp_audit.action_type _pdbx_chem_comp_audit.date _pdbx_chem_comp_audit.processing_site P0E "Create component" 2005-04-29 RCSB P0E "Modify descriptor" 2011-06-04 RCSB P0E "Modify synonyms" 2020-06-05 PDBE # _pdbx_chem_comp_synonyms.ordinal 1 _pdbx_chem_comp_synonyms.comp_id P0E _pdbx_chem_comp_synonyms.name "(2S)-2-[(9E)-HEXADEC-9-ENOYLOXY]-3-{[HYDROXY(2-HYDROXYETHOXY)PHOSPHORYL]OXY}PROPYL (9E)-OCTADEC-9-ENOATE" _pdbx_chem_comp_synonyms.provenance ? _pdbx_chem_comp_synonyms.type ? ##