data_L9R # _chem_comp.id L9R _chem_comp.name "(2S)-3-(octadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate" _chem_comp.type NON-POLYMER _chem_comp.pdbx_type HETAIN _chem_comp.formula "C44 H86 N O8 P" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms 1-stearoyl-2-oleoyl-sn-glycero-3-phosphocholine _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 2010-03-19 _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 788.129 _chem_comp.one_letter_code ? _chem_comp.three_letter_code L9R _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 3L9R _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 L9R N N N 1 1 N N N 101.129 -28.848 14.407 -0.829 0.202 3.927 N L9R 1 L9R P P P 0 1 N N N 100.780 -30.731 10.007 0.236 4.225 2.444 P L9R 2 L9R C1 C1 C 0 1 N N N 98.559 -30.042 8.407 1.414 5.119 0.218 C1 L9R 3 L9R C2 C2 C 0 1 N N S 97.290 -30.713 7.762 1.554 4.749 -1.260 C2 L9R 4 L9R O2 O2 O 0 1 N N N 96.540 -31.617 8.680 2.275 3.494 -1.378 O2 L9R 5 L9R C3 C3 C 0 1 N N N 96.209 -29.775 7.148 0.164 4.599 -1.882 C3 L9R 6 L9R O3 O3 O 0 1 N N N 96.519 -28.571 6.371 -0.608 3.639 -1.116 O3 L9R 7 L9R C4 C4 C 0 1 N N N 101.649 -30.619 12.608 -0.965 2.629 4.219 C4 L9R 8 L9R C5 C5 C 0 1 N N N 100.955 -30.274 13.943 -1.733 1.307 4.270 C5 L9R 9 L9R C6 C6 C 0 1 N N N 102.284 -28.677 15.262 0.350 0.244 4.801 C6 L9R 10 L9R C7 C7 C 0 1 N N N 101.294 -27.794 13.372 -1.528 -1.077 4.110 C7 L9R 11 L9R C8 C8 C 0 1 N N N 99.971 -28.529 15.278 -0.405 0.332 2.526 C8 L9R 12 L9R C11 C11 C 0 1 N N N 95.769 -28.346 5.215 -1.860 3.391 -1.533 C11 L9R 13 L9R O11 O11 O 0 1 N N N 96.341 -27.770 4.275 -2.295 3.958 -2.507 O11 L9R 14 L9R C12 C12 C 0 1 N N N 94.241 -28.692 5.132 -2.722 2.405 -0.787 C12 L9R 15 L9R C13 C13 C 0 1 N N N 93.745 -29.267 3.770 -4.090 2.309 -1.465 C13 L9R 16 L9R C14 C14 C 0 1 N N N 92.341 -28.746 3.317 -4.965 1.309 -0.708 C14 L9R 17 L9R C15 C15 C 0 1 N N N 92.331 -28.323 1.817 -6.334 1.213 -1.386 C15 L9R 18 L9R C16 C16 C 0 1 N N N 90.972 -27.750 1.302 -7.209 0.212 -0.629 C16 L9R 19 L9R C17 C17 C 0 1 N N N 91.141 -26.842 0.045 -8.577 0.116 -1.307 C17 L9R 20 L9R C18 C18 C 0 1 N N N 89.960 -26.888 -0.953 -9.452 -0.885 -0.549 C18 L9R 21 L9R C19 C19 C 0 1 N N N 89.386 -25.497 -1.324 -10.821 -0.981 -1.227 C19 L9R 22 L9R O1P O1P O 0 1 N N N 101.680 -31.672 9.306 1.540 4.305 3.268 O1P L9R 23 L9R C20 C20 C 0 1 N N N 88.179 -25.575 -2.292 -11.696 -1.982 -0.470 C20 L9R 24 L9R C21 C21 C 0 1 N N N 86.820 -25.672 -1.568 -13.064 -2.078 -1.148 C21 L9R 25 L9R C22 C22 C 0 1 N N N 85.794 -26.530 -2.349 -13.939 -3.078 -0.391 C22 L9R 26 L9R C23 C23 C 0 1 N N N 84.790 -27.267 -1.435 -15.308 -3.174 -1.069 C23 L9R 27 L9R C24 C24 C 0 1 N N N 85.436 -28.222 -0.403 -16.183 -4.175 -0.311 C24 L9R 28 L9R C25 C25 C 0 1 N N N 84.633 -29.496 -0.014 -17.551 -4.271 -0.989 C25 L9R 29 L9R C26 C26 C 0 1 N N N 85.125 -30.074 1.327 -18.426 -5.272 -0.232 C26 L9R 30 L9R C27 C27 C 0 1 N N N 86.108 -31.284 1.272 -19.795 -5.368 -0.910 C27 L9R 31 L9R C28 C28 C 0 1 N N N 87.046 -31.420 2.513 -20.670 -6.369 -0.153 C28 L9R 32 L9R O2P O2P O -1 1 N N N 101.088 -29.275 10.027 -0.622 5.481 2.715 O2P L9R 33 L9R C31 C31 C 0 1 N N N 96.091 -32.824 8.169 3.612 3.567 -1.480 C31 L9R 34 L9R O31 O31 O 0 1 N N N 96.934 -33.631 7.819 4.161 4.643 -1.470 O31 L9R 35 L9R C32 C32 C 0 1 N N N 94.614 -33.225 8.036 4.427 2.306 -1.606 C32 L9R 36 L9R C33 C33 C 0 1 N N N 94.032 -33.867 9.306 5.911 2.666 -1.705 C33 L9R 37 L9R C34 C34 C 0 1 N N N 92.894 -34.876 9.033 6.739 1.385 -1.833 C34 L9R 38 L9R C35 C35 C 0 1 N N N 91.481 -34.394 9.367 8.223 1.745 -1.932 C35 L9R 39 L9R C36 C36 C 0 1 N N N 90.450 -35.192 8.538 9.051 0.465 -2.060 C36 L9R 40 L9R C37 C37 C 0 1 N N N 89.016 -35.203 9.120 10.534 0.825 -2.159 C37 L9R 41 L9R C38 C38 C 0 1 N N N 88.475 -33.779 9.293 11.362 -0.455 -2.286 C38 L9R 42 L9R C39 C39 C 0 1 N N N 87.191 -33.745 9.829 12.824 -0.101 -2.384 C39 L9R 43 L9R O3P O3P O 0 1 N N N 99.236 -30.953 9.350 0.596 4.150 0.876 O3P L9R 44 L9R C40 C40 C 0 1 N N N 86.875 -33.222 11.094 13.689 -0.659 -1.574 C40 L9R 45 L9R C41 C41 C 0 1 N N N 87.805 -32.738 12.033 13.254 -1.779 -0.664 C41 L9R 46 L9R C42 C42 C 0 1 N N N 87.072 -32.425 13.370 14.170 -2.987 -0.869 C42 L9R 47 L9R C43 C43 C 0 1 N N N 87.919 -32.725 14.610 13.728 -4.124 0.056 C43 L9R 48 L9R C44 C44 C 0 1 N N N 87.053 -32.753 15.903 14.644 -5.333 -0.150 C44 L9R 49 L9R C45 C45 C 0 1 N N N 87.911 -33.117 17.113 14.203 -6.469 0.775 C45 L9R 50 L9R C46 C46 C 0 1 N N N 87.637 -34.454 17.861 15.118 -7.678 0.570 C46 L9R 51 L9R C47 C47 C 0 1 N N N 88.611 -34.578 19.072 14.677 -8.814 1.494 C47 L9R 52 L9R C48 C48 C 0 1 N N N 89.294 -35.949 19.335 15.592 -10.023 1.289 C48 L9R 53 L9R O4P O4P O 0 1 N N N 100.732 -31.206 11.632 -0.589 2.910 2.869 O4P L9R 54 L9R H1 H1 H 0 1 N N N 99.264 -29.775 7.606 2.399 5.139 0.683 H1 L9R 55 L9R H1A H1A H 0 1 N N N 98.244 -29.140 8.951 0.952 6.103 0.304 H1A L9R 56 L9R H2 H2 H 0 1 N N N 97.793 -31.257 6.949 2.103 5.534 -1.781 H2 L9R 57 L9R H3 H3 H 0 1 N N N 95.635 -30.415 6.462 -0.343 5.564 -1.874 H3 L9R 58 L9R H3A H3A H 0 1 N N N 95.625 -29.415 8.008 0.262 4.250 -2.910 H3A L9R 59 L9R H4 H4 H 0 1 N N N 102.064 -29.693 12.182 -1.599 3.433 4.594 H4 L9R 60 L9R H4A H4A H 0 1 N N N 102.452 -31.343 12.810 -0.070 2.554 4.837 H4A L9R 61 L9R H5 H5 H 0 1 N N N 101.378 -30.930 14.718 -2.557 1.338 3.556 H5 L9R 62 L9R H5A H5A H 0 1 N N N 99.877 -30.453 13.814 -2.128 1.156 5.274 H5A L9R 63 L9R H6 H6 H 0 1 N N N 102.361 -27.623 15.569 0.036 0.147 5.840 H6 L9R 64 L9R H6A H6A H 0 1 N N N 102.177 -29.311 16.154 1.021 -0.576 4.547 H6A L9R 65 L9R H6B H6B H 0 1 N N N 103.192 -28.966 14.713 0.869 1.193 4.666 H6B L9R 66 L9R H7 H7 H 0 1 N N N 101.409 -26.815 13.860 -2.404 -1.109 3.461 H7 L9R 67 L9R H7A H7A H 0 1 N N N 102.188 -28.010 12.768 -0.858 -1.898 3.855 H7A L9R 68 L9R H7B H7B H 0 1 N N N 100.407 -27.777 12.721 -1.843 -1.174 5.149 H7B L9R 69 L9R H8 H8 H 0 1 N N N 100.058 -27.494 15.640 0.272 1.181 2.429 H8 L9R 70 L9R H8A H8A H 0 1 N N N 99.039 -28.639 14.704 0.106 -0.578 2.215 H8A L9R 71 L9R H8B H8B H 0 1 N N N 99.957 -29.217 16.136 -1.280 0.491 1.895 H8B L9R 72 L9R H12 H12 H 0 1 N N N 94.033 -29.448 5.903 -2.243 1.426 -0.794 H12 L9R 73 L9R H12A H12A H 0 0 N N N 93.683 -27.763 5.319 -2.849 2.740 0.242 H12A L9R 74 L9R H13 H13 H 0 1 N N N 94.475 -28.981 2.998 -4.569 3.289 -1.458 H13 L9R 75 L9R H13A H13A H 0 0 N N N 93.682 -30.361 3.869 -3.963 1.974 -2.495 H13A L9R 76 L9R H14 H14 H 0 1 N N N 91.605 -29.550 3.460 -4.487 0.329 -0.715 H14 L9R 77 L9R H14A H14A H 0 0 N N N 92.076 -27.872 3.930 -5.093 1.643 0.321 H14A L9R 78 L9R H15 H15 H 0 1 N N N 93.094 -27.542 1.685 -6.812 2.192 -1.379 H15 L9R 79 L9R H15A H15A H 0 0 N N N 92.566 -29.214 1.217 -6.206 0.878 -2.415 H15A L9R 80 L9R H16 H16 H 0 1 N N N 90.317 -28.593 1.036 -6.730 -0.767 -0.636 H16 L9R 81 L9R H16A H16A H 0 0 N N N 90.520 -27.150 2.106 -7.336 0.547 0.401 H16A L9R 82 L9R H17 H17 H 0 1 N N N 91.245 -25.804 0.393 -9.056 1.095 -1.300 H17 L9R 83 L9R H17A H17A H 0 0 N N N 92.044 -27.174 -0.489 -8.450 -0.219 -2.336 H17A L9R 84 L9R H18 H18 H 0 1 N N N 90.317 -27.364 -1.878 -8.974 -1.864 -0.556 H18 L9R 85 L9R H18A H18A H 0 0 N N N 89.152 -27.476 -0.494 -9.580 -0.550 0.480 H18A L9R 86 L9R H19 H19 H 0 1 N N N 89.055 -25.003 -0.399 -11.299 -0.002 -1.220 H19 L9R 87 L9R H19A H19A H 0 0 N N N 90.182 -24.914 -1.811 -10.693 -1.316 -2.257 H19A L9R 88 L9R H20 H20 H 0 1 N N N 88.175 -24.665 -2.910 -11.217 -2.961 -0.477 H20 L9R 89 L9R H20A H20A H 0 0 N N N 88.299 -26.471 -2.919 -11.823 -1.647 0.559 H20A L9R 90 L9R H21 H21 H 0 1 N N N 86.982 -26.133 -0.582 -13.543 -1.098 -1.141 H21 L9R 91 L9R H21A H21A H 0 0 N N N 86.412 -24.657 -1.455 -12.937 -2.412 -2.178 H21A L9R 92 L9R H22 H22 H 0 1 N N N 85.227 -25.864 -3.016 -13.461 -4.058 -0.398 H22 L9R 93 L9R H22A H22A H 0 0 N N N 86.347 -27.283 -2.929 -14.067 -2.743 0.639 H22A L9R 94 L9R H23 H23 H 0 1 N N N 84.222 -26.507 -0.879 -15.786 -2.195 -1.062 H23 L9R 95 L9R H23A H23A H 0 0 N N N 84.128 -27.866 -2.078 -15.180 -3.509 -2.098 H23A L9R 96 L9R H24 H24 H 0 1 N N N 86.390 -28.562 -0.833 -15.704 -5.154 -0.318 H24 L9R 97 L9R H24A H24A H 0 0 N N N 85.587 -27.643 0.520 -16.310 -3.840 0.718 H24A L9R 98 L9R H25 H25 H 0 1 N N N 83.569 -29.233 0.080 -18.030 -3.292 -0.982 H25 L9R 99 L9R H25A H25A H 0 0 N N N 84.765 -30.255 -0.799 -17.424 -4.606 -2.019 H25A L9R 100 L9R H26 H26 H 0 1 N N N 85.648 -29.261 1.853 -17.948 -6.251 -0.239 H26 L9R 101 L9R H26A H26A H 0 0 N N N 84.233 -30.411 1.876 -18.554 -4.937 0.797 H26A L9R 102 L9R H27 H27 H 0 1 N N N 85.506 -32.202 1.204 -20.273 -4.389 -0.903 H27 L9R 103 L9R H27A H27A H 0 0 N N N 86.744 -31.160 0.383 -19.667 -5.703 -1.939 H27A L9R 104 L9R H28 H28 H 0 1 N N N 87.699 -32.296 2.385 -20.797 -6.034 0.877 H28 L9R 105 L9R H28A H28A H 0 0 N N N 87.662 -30.514 2.608 -21.645 -6.437 -0.636 H28A L9R 106 L9R H28B H28B H 0 0 N N N 86.437 -31.546 3.420 -20.191 -7.348 -0.160 H28B L9R 107 L9R H32 H32 H 0 1 N N N 94.032 -32.318 7.814 4.263 1.678 -0.730 H32 L9R 108 L9R H32A H32A H 0 0 N N N 94.530 -33.953 7.216 4.124 1.765 -2.502 H32A L9R 109 L9R H33 H33 H 0 1 N N N 94.845 -34.402 9.820 6.075 3.293 -2.581 H33 L9R 110 L9R H33A H33A H 0 0 N N N 93.629 -33.063 9.940 6.214 3.207 -0.808 H33A L9R 111 L9R H34 H34 H 0 1 N N N 92.915 -35.113 7.959 6.575 0.758 -0.957 H34 L9R 112 L9R H34A H34A H 0 0 N N N 93.091 -35.768 9.646 6.436 0.845 -2.729 H34A L9R 113 L9R H35 H35 H 0 1 N N N 91.286 -34.548 10.439 8.387 2.373 -2.807 H35 L9R 114 L9R H35A H35A H 0 0 N N N 91.394 -33.324 9.127 8.526 2.286 -1.035 H35A L9R 115 L9R H36 H36 H 0 1 N N N 90.402 -34.738 7.537 8.887 -0.162 -1.184 H36 L9R 116 L9R H36A H36A H 0 0 N N N 90.798 -36.234 8.485 8.747 -0.075 -2.956 H36A L9R 117 L9R H37 H37 H 0 1 N N N 88.357 -35.753 8.432 10.698 1.453 -3.034 H37 L9R 118 L9R H37A H37A H 0 0 N N N 89.034 -35.698 10.102 10.838 1.366 -1.262 H37A L9R 119 L9R H38 H38 H 0 1 N N N 89.147 -33.234 9.972 11.198 -1.083 -1.411 H38 L9R 120 L9R H38A H38A H 0 0 N N N 88.449 -33.297 8.305 11.059 -0.996 -3.183 H38A L9R 121 L9R H39 H39 H 0 1 N N N 86.385 -34.147 9.233 13.158 0.614 -3.121 H39 L9R 122 L9R H40 H40 H 0 1 N N N 85.831 -33.189 11.369 14.713 -0.318 -1.559 H40 L9R 123 L9R H41 H41 H 0 1 N N N 88.580 -33.499 12.208 13.316 -1.448 0.373 H41 L9R 124 L9R H41A H41A H 0 0 N N N 88.273 -31.821 11.647 12.226 -2.058 -0.896 H41A L9R 125 L9R H42 H42 H 0 1 N N N 86.816 -31.355 13.379 14.108 -3.318 -1.906 H42 L9R 126 L9R H42A H42A H 0 0 N N N 86.163 -33.043 13.417 15.197 -2.708 -0.637 H42A L9R 127 L9R H43 H43 H 0 1 N N N 88.397 -33.708 14.483 13.790 -3.793 1.092 H43 L9R 128 L9R H43A H43A H 0 0 N N N 88.684 -31.942 14.714 12.701 -4.403 -0.176 H43A L9R 129 L9R H44 H44 H 0 1 N N N 86.609 -31.759 16.061 14.582 -5.663 -1.187 H44 L9R 130 L9R H44A H44A H 0 0 N N N 86.256 -33.503 15.787 15.672 -5.054 0.082 H44A L9R 131 L9R H45 H45 H 0 1 N N N 88.949 -33.170 16.752 14.264 -6.139 1.812 H45 L9R 132 L9R H45A H45A H 0 0 N N N 87.764 -32.314 17.850 13.175 -6.748 0.543 H45A L9R 133 L9R H46 H46 H 0 1 N N N 86.598 -34.466 18.222 15.056 -8.008 -0.467 H46 L9R 134 L9R H46A H46A H 0 0 N N N 87.796 -35.298 17.174 16.146 -7.399 0.802 H46A L9R 135 L9R H47 H47 H 0 1 N N N 89.420 -33.852 18.900 14.738 -8.484 2.531 H47 L9R 136 L9R H47A H47A H 0 0 N N N 88.025 -34.342 19.972 13.649 -9.093 1.262 H47A L9R 137 L9R H48 H48 H 0 1 N N N 89.945 -35.871 20.218 16.620 -9.744 1.521 H48 L9R 138 L9R H48A H48A H 0 0 N N N 88.524 -36.714 19.514 15.278 -10.833 1.947 H48A L9R 139 L9R H48B H48B H 0 0 N N N 89.896 -36.232 18.459 15.530 -10.354 0.252 H48B L9R 140 # # 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 L9R N C5 SING N N 1 L9R N C6 SING N N 2 L9R N C7 SING N N 3 L9R N C8 SING N N 4 L9R P O1P DOUB N N 5 L9R P O2P SING N N 6 L9R P O3P SING N N 7 L9R P O4P SING N N 8 L9R C1 C2 SING N N 9 L9R C1 O3P SING N N 10 L9R C2 O2 SING N N 11 L9R C2 C3 SING N N 12 L9R O2 C31 SING N N 13 L9R C3 O3 SING N N 14 L9R O3 C11 SING N N 15 L9R C4 C5 SING N N 16 L9R C4 O4P SING N N 17 L9R C11 O11 DOUB N N 18 L9R C11 C12 SING N N 19 L9R C12 C13 SING N N 20 L9R C13 C14 SING N N 21 L9R C14 C15 SING N N 22 L9R C15 C16 SING N N 23 L9R C16 C17 SING N N 24 L9R C17 C18 SING N N 25 L9R C18 C19 SING N N 26 L9R C19 C20 SING N N 27 L9R C20 C21 SING N N 28 L9R C21 C22 SING N N 29 L9R C22 C23 SING N N 30 L9R C23 C24 SING N N 31 L9R C24 C25 SING N N 32 L9R C25 C26 SING N N 33 L9R C26 C27 SING N N 34 L9R C27 C28 SING N N 35 L9R C31 O31 DOUB N N 36 L9R C31 C32 SING N N 37 L9R C32 C33 SING N N 38 L9R C33 C34 SING N N 39 L9R C34 C35 SING N N 40 L9R C35 C36 SING N N 41 L9R C36 C37 SING N N 42 L9R C37 C38 SING N N 43 L9R C38 C39 SING N N 44 L9R C39 C40 DOUB N N 45 L9R C40 C41 SING N N 46 L9R C41 C42 SING N N 47 L9R C42 C43 SING N N 48 L9R C43 C44 SING N N 49 L9R C44 C45 SING N N 50 L9R C45 C46 SING N N 51 L9R C46 C47 SING N N 52 L9R C47 C48 SING N N 53 L9R C1 H1 SING N N 54 L9R C1 H1A SING N N 55 L9R C2 H2 SING N N 56 L9R C3 H3 SING N N 57 L9R C3 H3A SING N N 58 L9R C4 H4 SING N N 59 L9R C4 H4A SING N N 60 L9R C5 H5 SING N N 61 L9R C5 H5A SING N N 62 L9R C6 H6 SING N N 63 L9R C6 H6A SING N N 64 L9R C6 H6B SING N N 65 L9R C7 H7 SING N N 66 L9R C7 H7A SING N N 67 L9R C7 H7B SING N N 68 L9R C8 H8 SING N N 69 L9R C8 H8A SING N N 70 L9R C8 H8B SING N N 71 L9R C12 H12 SING N N 72 L9R C12 H12A SING N N 73 L9R C13 H13 SING N N 74 L9R C13 H13A SING N N 75 L9R C14 H14 SING N N 76 L9R C14 H14A SING N N 77 L9R C15 H15 SING N N 78 L9R C15 H15A SING N N 79 L9R C16 H16 SING N N 80 L9R C16 H16A SING N N 81 L9R C17 H17 SING N N 82 L9R C17 H17A SING N N 83 L9R C18 H18 SING N N 84 L9R C18 H18A SING N N 85 L9R C19 H19 SING N N 86 L9R C19 H19A SING N N 87 L9R C20 H20 SING N N 88 L9R C20 H20A SING N N 89 L9R C21 H21 SING N N 90 L9R C21 H21A SING N N 91 L9R C22 H22 SING N N 92 L9R C22 H22A SING N N 93 L9R C23 H23 SING N N 94 L9R C23 H23A SING N N 95 L9R C24 H24 SING N N 96 L9R C24 H24A SING N N 97 L9R C25 H25 SING N N 98 L9R C25 H25A SING N N 99 L9R C26 H26 SING N N 100 L9R C26 H26A SING N N 101 L9R C27 H27 SING N N 102 L9R C27 H27A SING N N 103 L9R C28 H28 SING N N 104 L9R C28 H28A SING N N 105 L9R C28 H28B SING N N 106 L9R C32 H32 SING N N 107 L9R C32 H32A SING N N 108 L9R C33 H33 SING N N 109 L9R C33 H33A SING N N 110 L9R C34 H34 SING N N 111 L9R C34 H34A SING N Z 112 L9R C35 H35 SING N N 113 L9R C35 H35A SING N N 114 L9R C36 H36 SING N N 115 L9R C36 H36A SING N N 116 L9R C37 H37 SING N N 117 L9R C37 H37A SING N N 118 L9R C38 H38 SING N N 119 L9R C38 H38A SING N N 120 L9R C39 H39 SING N N 121 L9R C40 H40 SING N N 122 L9R C41 H41 SING N N 123 L9R C41 H41A SING N N 124 L9R C42 H42 SING N N 125 L9R C42 H42A SING N N 126 L9R C43 H43 SING N N 127 L9R C43 H43A SING N N 128 L9R C44 H44 SING N N 129 L9R C44 H44A SING N N 130 L9R C45 H45 SING N N 131 L9R C45 H45A SING N N 132 L9R C46 H46 SING N N 133 L9R C46 H46A SING N N 134 L9R C47 H47 SING N N 135 L9R C47 H47A SING N N 136 L9R C48 H48 SING N N 137 L9R C48 H48A SING N N 138 L9R C48 H48B SING N N 139 # # 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 L9R SMILES ACDLabs 12.01 "O=C(OCC(OC(=O)CCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C)CCCCCCCCCCCCCCCCC" L9R SMILES_CANONICAL CACTVS 3.370 "CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[P]([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCCCC" L9R SMILES CACTVS 3.370 "CCCCCCCCCCCCCCCCCC(=O)OC[CH](CO[P]([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCCCCCCCC" L9R SMILES_CANONICAL "OpenEye OEToolkits" 1.7.0 "CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[P@@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC" L9R SMILES "OpenEye OEToolkits" 1.7.0 "CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCCCCCCCC" L9R InChI InChI 1.03 "InChI=1S/C44H86NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h21,23,42H,6-20,22,24-41H2,1-5H3/b23-21-/t42-/m0/s1" L9R InChIKey InChI 1.03 ATHVAWFAEPLPPQ-FLHXZNPISA-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 L9R "SYSTEMATIC NAME" ACDLabs 12.01 "(2S)-3-(octadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate" L9R "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.7.0 "[(2S)-3-octadecanoyloxy-2-[(Z)-octadec-9-enoyl]oxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate" # # loop_ _pdbx_chem_comp_audit.comp_id _pdbx_chem_comp_audit.action_type _pdbx_chem_comp_audit.date _pdbx_chem_comp_audit.processing_site L9R "Create component" 2010-03-19 RCSB L9R "Modify descriptor" 2011-06-04 RCSB L9R "Modify synonyms" 2021-03-01 PDBE # _pdbx_chem_comp_synonyms.ordinal 1 _pdbx_chem_comp_synonyms.comp_id L9R _pdbx_chem_comp_synonyms.name 1-stearoyl-2-oleoyl-sn-glycero-3-phosphocholine _pdbx_chem_comp_synonyms.provenance ? _pdbx_chem_comp_synonyms.type ? ##