data_L9Q # _chem_comp.id L9Q _chem_comp.name "(1S)-2-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(octadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate" _chem_comp.type NON-POLYMER _chem_comp.pdbx_type HETAIN _chem_comp.formula "C41 H80 N O8 P" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms 1-stearoyl-2-oleoyl-sn-glycero-3-phosphoethanolamine _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 2010-03-19 _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 746.050 _chem_comp.one_letter_code ? _chem_comp.three_letter_code L9Q _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 L9Q N N N 0 1 N N N 36.633 -35.434 -40.818 0.865 -0.218 4.097 N L9Q 1 L9Q P P P 0 1 N N N 37.800 -36.238 -45.668 -0.209 -4.227 2.633 P L9Q 2 L9Q C1 C1 C 0 1 N N N 35.415 -35.200 -46.528 -1.384 -5.106 0.400 C1 L9Q 3 L9Q C2 C2 C 0 1 N N S 34.952 -34.476 -47.833 -1.524 -4.725 -1.075 C2 L9Q 4 L9Q O2 O2 O 0 1 N N N 34.031 -33.338 -47.637 -2.246 -3.470 -1.185 O2 L9Q 5 L9Q C3 C3 C 0 1 N N N 36.140 -33.889 -48.564 -0.134 -4.570 -1.696 C3 L9Q 6 L9Q O3 O3 O 0 1 N N N 35.676 -33.583 -49.889 0.637 -3.614 -0.922 O3 L9Q 7 L9Q C4 C4 C 0 1 N N N 37.804 -36.190 -42.920 0.990 -2.642 4.420 C4 L9Q 8 L9Q C5 C5 C 0 1 N N N 36.950 -36.585 -41.704 1.757 -1.320 4.481 C5 L9Q 9 L9Q C11 C11 C 0 1 N N N 36.660 -33.358 -50.811 1.889 -3.362 -1.337 C11 L9Q 10 L9Q O11 O11 O 0 1 N N N 37.312 -34.314 -51.271 2.325 -3.922 -2.314 O11 L9Q 11 L9Q C12 C12 C 0 1 N N N 36.899 -31.894 -51.274 2.750 -2.381 -0.583 C12 L9Q 12 L9Q C13 C13 C 0 1 N N N 35.720 -30.933 -51.023 4.118 -2.279 -1.260 C13 L9Q 13 L9Q C14 C14 C 0 1 N N N 35.811 -29.723 -51.982 4.992 -1.283 -0.495 C14 L9Q 14 L9Q C15 C15 C 0 1 N N N 34.524 -28.847 -52.055 6.361 -1.181 -1.171 C15 L9Q 15 L9Q C16 C16 C 0 1 N N N 34.659 -27.752 -53.154 7.235 -0.185 -0.406 C16 L9Q 16 L9Q C17 C17 C 0 1 N N N 33.544 -26.686 -53.149 8.603 -0.083 -1.082 C17 L9Q 17 L9Q C18 C18 C 0 1 N N N 34.069 -25.334 -52.635 9.477 0.913 -0.318 C18 L9Q 18 L9Q C19 C19 C 0 1 N N N 34.051 -24.224 -53.705 10.846 1.015 -0.994 C19 L9Q 19 L9Q O1P O1P O 0 1 N N N 38.808 -37.253 -46.099 -1.458 -4.309 3.422 O1P L9Q 20 L9Q C20 C20 C 0 1 N N N 35.043 -23.110 -53.350 11.720 2.011 -0.229 C20 L9Q 21 L9Q C21 C21 C 0 1 N N N 36.118 -22.886 -54.416 13.088 2.113 -0.905 C21 L9Q 22 L9Q C22 C22 C 0 1 N N N 36.762 -21.507 -54.287 13.962 3.109 -0.140 C22 L9Q 23 L9Q C23 C23 C 0 1 N N N 37.672 -21.175 -55.457 15.331 3.211 -0.817 C23 L9Q 24 L9Q C24 C24 C 0 1 N N N 39.147 -21.583 -55.260 16.205 4.207 -0.052 C24 L9Q 25 L9Q C25 C25 C 0 1 N N N 39.896 -21.686 -56.614 17.573 4.309 -0.728 C25 L9Q 26 L9Q C26 C26 C 0 1 N N N 41.227 -22.441 -56.550 18.447 5.305 0.037 C26 L9Q 27 L9Q C27 C27 C 0 1 N N N 41.024 -23.947 -56.761 19.816 5.407 -0.640 C27 L9Q 28 L9Q C28 C28 C 0 1 N N N 42.355 -24.684 -56.978 20.690 6.403 0.125 C28 L9Q 29 L9Q O2P O2P O 0 1 N N N 38.228 -34.829 -45.490 0.687 -5.536 2.907 O2P L9Q 30 L9Q C31 C31 C 0 1 N N N 32.710 -33.619 -47.848 -3.582 -3.543 -1.288 C31 L9Q 31 L9Q O31 O31 O 0 1 N N N 32.221 -34.610 -47.320 -4.131 -4.619 -1.286 O31 L9Q 32 L9Q C32 C32 C 0 1 N N N 31.820 -32.707 -48.698 -4.399 -2.282 -1.405 C32 L9Q 33 L9Q C33 C33 C 0 1 N N N 31.685 -31.369 -48.016 -5.882 -2.642 -1.508 C33 L9Q 34 L9Q C34 C34 C 0 1 N N N 30.626 -30.496 -48.661 -6.711 -1.362 -1.627 C34 L9Q 35 L9Q C35 C35 C 0 1 N N N 30.110 -29.499 -47.630 -8.195 -1.722 -1.729 C35 L9Q 36 L9Q C36 C36 C 0 1 N N N 29.892 -28.144 -48.283 -9.024 -0.442 -1.849 C36 L9Q 37 L9Q C37 C37 C 0 1 N N N 29.871 -27.025 -47.260 -10.507 -0.802 -1.951 C37 L9Q 38 L9Q C38 C38 C 0 1 N N N 30.921 -25.955 -47.641 -11.336 0.478 -2.070 C38 L9Q 39 L9Q C39 C39 C 0 1 N N N 30.394 -24.655 -47.746 -12.797 0.123 -2.171 C39 L9Q 40 L9Q O3P O3P O 0 1 N N N 36.482 -36.202 -46.686 -0.568 -4.140 1.066 O3P L9Q 41 L9Q C40 C40 C 0 1 N N N 30.880 -23.553 -47.021 -13.664 0.679 -1.361 C40 L9Q 42 L9Q C41 C41 C 0 1 N N N 31.890 -23.556 -46.043 -13.231 1.794 -0.445 C41 L9Q 43 L9Q C42 C42 C 0 1 N N N 31.273 -23.679 -44.640 -14.148 3.003 -0.645 C42 L9Q 44 L9Q C43 C43 C 0 1 N N N 32.089 -23.099 -43.481 -13.708 4.135 0.285 C43 L9Q 45 L9Q C44 C44 C 0 1 N N N 31.686 -23.830 -42.198 -14.625 5.344 0.085 C44 L9Q 46 L9Q C45 C45 C 0 1 N N N 31.298 -22.923 -41.002 -14.186 6.477 1.015 C45 L9Q 47 L9Q C46 C46 C 0 1 N N N 30.534 -23.762 -39.936 -15.102 7.685 0.815 C46 L9Q 48 L9Q C47 C47 C 0 1 N N N 29.988 -22.972 -38.723 -14.663 8.818 1.745 C47 L9Q 49 L9Q C48 C48 C 0 1 N N N 28.741 -23.661 -38.091 -15.580 10.027 1.545 C48 L9Q 50 L9Q O4P O4P O 0 1 N N N 37.219 -36.705 -44.161 0.615 -2.913 3.068 O4P L9Q 51 L9Q HN HN H 0 1 N N N 36.078 -35.749 -40.048 0.041 -0.200 4.678 HN L9Q 52 L9Q HNA HNA H 0 1 N N N 37.483 -35.034 -40.475 1.349 0.667 4.129 HNA L9Q 53 L9Q H1 H1 H 0 1 N N N 35.791 -34.428 -45.841 -2.370 -5.129 0.864 H1 L9Q 54 L9Q H1A H1A H 0 1 N N N 34.538 -35.718 -46.113 -0.922 -6.089 0.479 H1A L9Q 55 L9Q H2 H2 H 0 1 N N N 34.429 -35.270 -48.387 -2.072 -5.506 -1.602 H2 L9Q 56 L9Q H3 H3 H 0 1 N N N 36.497 -32.980 -48.058 0.374 -5.534 -1.694 H3 L9Q 57 L9Q H3A H3A H 0 1 N N N 36.969 -34.611 -48.600 -0.232 -4.213 -2.721 H3A L9Q 58 L9Q H4 H4 H 0 1 N N N 38.814 -36.610 -42.799 1.624 -3.448 4.790 H4 L9Q 59 L9Q H4A H4A H 0 1 N N N 37.858 -35.093 -42.978 0.095 -2.572 5.038 H4A L9Q 60 L9Q H5 H5 H 0 1 N N N 37.508 -37.329 -41.117 2.603 -1.359 3.795 H5 L9Q 61 L9Q H5A H5A H 0 1 N N N 36.004 -37.010 -42.070 2.120 -1.157 5.496 H5A L9Q 62 L9Q H12 H12 H 0 1 N N N 37.769 -31.507 -50.723 2.270 -1.402 -0.583 H12 L9Q 63 L9Q H12A H12A H 0 0 N N N 37.090 -31.913 -52.357 2.876 -2.723 0.444 H12A L9Q 64 L9Q H13 H13 H 0 1 N N N 34.773 -31.465 -51.198 4.597 -3.258 -1.259 H13 L9Q 65 L9Q H13A H13A H 0 0 N N N 35.757 -30.576 -49.983 3.991 -1.937 -2.287 H13A L9Q 66 L9Q H14 H14 H 0 1 N N N 36.634 -29.081 -51.634 4.513 -0.304 -0.495 H14 L9Q 67 L9Q H14A H14A H 0 0 N N N 36.010 -30.111 -52.992 5.119 -1.625 0.533 H14A L9Q 68 L9Q H15 H15 H 0 1 N N N 33.665 -29.491 -52.295 6.840 -2.160 -1.171 H15 L9Q 69 L9Q H15A H15A H 0 0 N N N 34.367 -28.360 -51.081 6.234 -0.839 -2.198 H15A L9Q 70 L9Q H16 H16 H 0 1 N N N 35.617 -27.235 -52.995 6.755 0.794 -0.406 H16 L9Q 71 L9Q H16A H16A H 0 0 N N N 34.636 -28.255 -54.132 7.362 -0.527 0.621 H16A L9Q 72 L9Q H17 H17 H 0 1 N N N 33.171 -26.556 -54.175 9.083 -1.062 -1.082 H17 L9Q 73 L9Q H17A H17A H 0 0 N N N 32.730 -27.025 -52.492 8.476 0.259 -2.110 H17A L9Q 74 L9Q H18 H18 H 0 1 N N N 33.432 -25.014 -51.798 8.998 1.892 -0.318 H18 L9Q 75 L9Q H18A H18A H 0 0 N N N 35.108 -25.473 -52.302 9.604 0.571 0.710 H18A L9Q 76 L9Q H19 H19 H 0 1 N N N 34.331 -24.658 -54.676 11.325 0.036 -0.994 H19 L9Q 77 L9Q H19A H19A H 0 0 N N N 33.039 -23.798 -53.763 10.719 1.357 -2.021 H19A L9Q 78 L9Q H20 H20 H 0 1 N N N 34.478 -22.174 -53.231 11.240 2.990 -0.229 H20 L9Q 79 L9Q H20A H20A H 0 0 N N N 35.545 -23.385 -52.410 11.847 1.669 0.798 H20A L9Q 80 L9Q H21 H21 H 0 1 N N N 36.898 -23.653 -54.298 13.568 1.134 -0.905 H21 L9Q 81 L9Q H21A H21A H 0 0 N N N 35.653 -22.967 -55.410 12.961 2.455 -1.933 H21A L9Q 82 L9Q H22 H22 H 0 1 N N N 35.963 -20.753 -54.243 13.483 4.088 -0.141 H22 L9Q 83 L9Q H22A H22A H 0 0 N N N 37.361 -21.488 -53.364 14.089 2.767 0.887 H22A L9Q 84 L9Q H23 H23 H 0 1 N N N 37.291 -21.708 -56.341 15.810 2.232 -0.817 H23 L9Q 85 L9Q H23A H23A H 0 0 N N N 37.642 -20.086 -55.608 15.204 3.553 -1.844 H23A L9Q 86 L9Q H24 H24 H 0 1 N N N 39.644 -20.825 -54.637 15.725 5.186 -0.052 H24 L9Q 87 L9Q H24A H24A H 0 0 N N N 39.180 -22.563 -54.762 16.332 3.865 0.975 H24A L9Q 88 L9Q H25 H25 H 0 1 N N N 39.242 -22.217 -57.321 18.052 3.330 -0.728 H25 L9Q 89 L9Q H25A H25A H 0 0 N N N 40.106 -20.663 -56.961 17.446 4.651 -1.755 H25A L9Q 90 L9Q H26 H26 H 0 1 N N N 41.892 -22.058 -57.338 17.968 6.284 0.036 H26 L9Q 91 L9Q H26A H26A H 0 0 N N N 41.681 -22.278 -55.561 18.574 4.963 1.064 H26A L9Q 92 L9Q H27 H27 H 0 1 N N N 40.533 -24.364 -55.869 20.295 4.428 -0.640 H27 L9Q 93 L9Q H27A H27A H 0 0 N N N 40.392 -24.095 -57.649 19.689 5.749 -1.667 H27A L9Q 94 L9Q H28 H28 H 0 1 N N N 42.161 -25.757 -57.124 20.210 7.382 0.125 H28 L9Q 95 L9Q H28A H28A H 0 0 N N N 42.858 -24.278 -57.868 20.817 6.061 1.152 H28A L9Q 96 L9Q H28B H28B H 0 0 N N N 42.999 -24.545 -56.097 21.665 6.476 -0.357 H28B L9Q 97 L9Q HO2P HO2P H 0 0 N N N 39.154 -34.751 -45.688 1.523 -5.550 2.421 HO2P L9Q 98 L9Q H32 H32 H 0 1 N N N 32.274 -32.570 -49.690 -4.236 -1.660 -0.525 H32 L9Q 99 L9Q H32A H32A H 0 0 N N N 30.826 -33.164 -48.811 -4.096 -1.734 -2.298 H32A L9Q 100 L9Q H33 H33 H 0 1 N N N 31.405 -31.539 -46.966 -6.045 -3.264 -2.388 H33 L9Q 101 L9Q H33A H33A H 0 0 N N N 32.652 -30.847 -48.076 -6.186 -3.190 -0.615 H33A L9Q 102 L9Q H34 H34 H 0 1 N N N 31.062 -29.954 -49.513 -6.549 -0.740 -0.747 H34 L9Q 103 L9Q H34A H34A H 0 0 N N N 29.795 -31.124 -49.016 -6.408 -0.814 -2.519 H34A L9Q 104 L9Q H35 H35 H 0 1 N N N 29.157 -29.862 -47.218 -8.358 -2.344 -2.610 H35 L9Q 105 L9Q H35A H35A H 0 0 N N N 30.848 -29.398 -46.820 -8.498 -2.270 -0.837 H35A L9Q 106 L9Q H36 H36 H 0 1 N N N 30.711 -27.958 -48.993 -8.861 0.180 -0.968 H36 L9Q 107 L9Q H36A H36A H 0 0 N N N 28.927 -28.158 -48.811 -8.720 0.106 -2.741 H36A L9Q 108 L9Q H37 H37 H 0 1 N N N 28.871 -26.566 -47.240 -10.670 -1.424 -2.832 H37 L9Q 109 L9Q H37A H37A H 0 0 N N N 30.108 -27.433 -46.266 -10.811 -1.350 -1.059 H37A L9Q 110 L9Q H38 H38 H 0 1 N N N 31.697 -25.946 -46.862 -11.173 1.100 -1.190 H38 L9Q 111 L9Q H38A H38A H 0 0 N N N 31.349 -26.229 -48.617 -11.033 1.026 -2.963 H38A L9Q 112 L9Q H39 H39 H 0 1 N N N 29.568 -24.494 -48.423 -13.130 -0.589 -2.912 H39 L9Q 113 L9Q H40 H40 H 0 1 N N N 30.427 -22.597 -47.240 -14.688 0.337 -1.349 H40 L9Q 114 L9Q H41 H41 H 0 1 N N N 32.561 -24.409 -46.219 -13.293 1.459 0.590 H41 L9Q 115 L9Q H41A H41A H 0 0 N N N 32.458 -22.616 -46.107 -12.203 2.076 -0.675 H41A L9Q 116 L9Q H42 H42 H 0 1 N N N 30.311 -23.145 -44.660 -14.086 3.338 -1.680 H42 L9Q 117 L9Q H42A H42A H 0 0 N N N 31.138 -24.752 -44.437 -15.175 2.721 -0.415 H42A L9Q 118 L9Q H43 H43 H 0 1 N N N 33.163 -23.242 -43.671 -13.770 3.800 1.321 H43 L9Q 119 L9Q H43A H43A H 0 0 N N N 31.882 -22.023 -43.379 -12.681 4.417 0.055 H43A L9Q 120 L9Q H44 H44 H 0 1 N N N 30.813 -24.455 -42.435 -14.563 5.680 -0.950 H44 L9Q 121 L9Q H44A H44A H 0 0 N N N 32.544 -24.442 -41.883 -15.653 5.063 0.315 H44A L9Q 122 L9Q H45 H45 H 0 1 N N N 32.209 -22.502 -40.552 -14.247 6.141 2.050 H45 L9Q 123 L9Q H45A H45A H 0 0 N N N 30.652 -22.106 -41.357 -13.158 6.758 0.785 H45A L9Q 124 L9Q H46 H46 H 0 1 N N N 29.674 -24.229 -40.439 -15.041 8.021 -0.220 H46 L9Q 125 L9Q H46A H46A H 0 0 N N N 31.233 -24.518 -39.549 -16.130 7.404 1.046 H46A L9Q 126 L9Q H47 H47 H 0 1 N N N 30.778 -22.908 -37.961 -14.725 8.483 2.781 H47 L9Q 127 L9Q H47A H47A H 0 0 N N N 29.700 -21.965 -39.060 -13.635 9.099 1.515 H47A L9Q 128 L9Q H48 H48 H 0 1 N N N 28.388 -23.067 -37.235 -15.518 10.362 0.510 H48 L9Q 129 L9Q H48A H48A H 0 0 N N N 27.941 -23.732 -38.843 -16.607 9.745 1.776 H48A L9Q 130 L9Q H48B H48B H 0 0 N N N 29.014 -24.670 -37.749 -15.267 10.834 2.208 H48B L9Q 131 # # 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 L9Q C5 N SING N N 1 L9Q N HN SING N N 2 L9Q N HNA SING N N 3 L9Q O3P P SING N N 4 L9Q O1P P DOUB N N 5 L9Q P O2P SING N N 6 L9Q P O4P SING N N 7 L9Q C2 C1 SING N N 8 L9Q O3P C1 SING N N 9 L9Q C1 H1 SING N N 10 L9Q C1 H1A SING N N 11 L9Q C3 C2 SING N N 12 L9Q C2 O2 SING N N 13 L9Q C2 H2 SING N N 14 L9Q C31 O2 SING N N 15 L9Q O3 C3 SING N N 16 L9Q C3 H3 SING N N 17 L9Q C3 H3A SING N N 18 L9Q C11 O3 SING N N 19 L9Q O4P C4 SING N N 20 L9Q C4 C5 SING N N 21 L9Q C4 H4 SING N N 22 L9Q C4 H4A SING N N 23 L9Q C5 H5 SING N N 24 L9Q C5 H5A SING N N 25 L9Q C12 C11 SING N N 26 L9Q O11 C11 DOUB N N 27 L9Q C12 C13 SING N N 28 L9Q C12 H12 SING N N 29 L9Q C12 H12A SING N N 30 L9Q C14 C13 SING N N 31 L9Q C13 H13 SING N N 32 L9Q C13 H13A SING N N 33 L9Q C15 C14 SING N N 34 L9Q C14 H14 SING N N 35 L9Q C14 H14A SING N N 36 L9Q C16 C15 SING N N 37 L9Q C15 H15 SING N N 38 L9Q C15 H15A SING N N 39 L9Q C16 C17 SING N N 40 L9Q C16 H16 SING N N 41 L9Q C16 H16A SING N N 42 L9Q C17 C18 SING N N 43 L9Q C17 H17 SING N N 44 L9Q C17 H17A SING N N 45 L9Q C19 C18 SING N N 46 L9Q C18 H18 SING N N 47 L9Q C18 H18A SING N N 48 L9Q C19 C20 SING N N 49 L9Q C19 H19 SING N N 50 L9Q C19 H19A SING N N 51 L9Q C21 C20 SING N N 52 L9Q C20 H20 SING N N 53 L9Q C20 H20A SING N N 54 L9Q C21 C22 SING N N 55 L9Q C21 H21 SING N N 56 L9Q C21 H21A SING N N 57 L9Q C23 C22 SING N N 58 L9Q C22 H22 SING N N 59 L9Q C22 H22A SING N N 60 L9Q C23 C24 SING N N 61 L9Q C23 H23 SING N N 62 L9Q C23 H23A SING N N 63 L9Q C25 C24 SING N N 64 L9Q C24 H24 SING N N 65 L9Q C24 H24A SING N N 66 L9Q C25 C26 SING N N 67 L9Q C25 H25 SING N N 68 L9Q C25 H25A SING N N 69 L9Q C27 C26 SING N N 70 L9Q C26 H26 SING N N 71 L9Q C26 H26A SING N N 72 L9Q C28 C27 SING N N 73 L9Q C27 H27 SING N N 74 L9Q C27 H27A SING N N 75 L9Q C28 H28 SING N N 76 L9Q C28 H28A SING N N 77 L9Q C28 H28B SING N N 78 L9Q O2P HO2P SING N N 79 L9Q C32 C31 SING N N 80 L9Q C31 O31 DOUB N N 81 L9Q C32 C33 SING N N 82 L9Q C32 H32 SING N N 83 L9Q C32 H32A SING N N 84 L9Q C34 C33 SING N N 85 L9Q C33 H33 SING N N 86 L9Q C33 H33A SING N N 87 L9Q C34 C35 SING N N 88 L9Q C34 H34 SING N N 89 L9Q C34 H34A SING N N 90 L9Q C36 C35 SING N N 91 L9Q C35 H35 SING N N 92 L9Q C35 H35A SING N N 93 L9Q C36 C37 SING N N 94 L9Q C36 H36 SING N N 95 L9Q C36 H36A SING N N 96 L9Q C38 C37 SING N N 97 L9Q C37 H37 SING N N 98 L9Q C37 H37A SING N N 99 L9Q C39 C38 SING N Z 100 L9Q C38 H38 SING N N 101 L9Q C38 H38A SING N N 102 L9Q C39 C40 DOUB N N 103 L9Q C39 H39 SING N N 104 L9Q C40 C41 SING N N 105 L9Q C40 H40 SING N N 106 L9Q C41 C42 SING N N 107 L9Q C41 H41 SING N N 108 L9Q C41 H41A SING N N 109 L9Q C42 C43 SING N N 110 L9Q C42 H42 SING N N 111 L9Q C42 H42A SING N N 112 L9Q C43 C44 SING N N 113 L9Q C43 H43 SING N N 114 L9Q C43 H43A SING N N 115 L9Q C44 C45 SING N N 116 L9Q C44 H44 SING N N 117 L9Q C44 H44A SING N N 118 L9Q C45 C46 SING N N 119 L9Q C45 H45 SING N N 120 L9Q C45 H45A SING N N 121 L9Q C46 C47 SING N N 122 L9Q C46 H46 SING N N 123 L9Q C46 H46A SING N N 124 L9Q C47 C48 SING N N 125 L9Q C47 H47 SING N N 126 L9Q C47 H47A SING N N 127 L9Q C48 H48 SING N N 128 L9Q C48 H48A SING N N 129 L9Q C48 H48B SING N N 130 # # 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 L9Q SMILES ACDLabs 12.01 "O=C(OCC(OC(=O)CCCCCCC\C=C/CCCCCCCC)COP(=O)(OCCN)O)CCCCCCCCCCCCCCCCC" L9Q SMILES_CANONICAL CACTVS 3.370 "CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[P](O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC" L9Q SMILES CACTVS 3.370 "CCCCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCCN)OC(=O)CCCCCCCC=CCCCCCCCC" L9Q SMILES_CANONICAL "OpenEye OEToolkits" 1.7.0 "CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[P@@](=O)(O)OCCN)OC(=O)CCCCCCC/C=C\CCCCCCCC" L9Q SMILES "OpenEye OEToolkits" 1.7.0 "CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCC=CCCCCCCCC" L9Q InChI InChI 1.03 "InChI=1S/C41H80NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h18,20,39H,3-17,19,21-38,42H2,1-2H3,(H,45,46)/b20-18-/t39-/m0/s1" L9Q InChIKey InChI 1.03 JQKOHRZNEOQNJE-VYCVAHKRSA-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 L9Q "SYSTEMATIC NAME" ACDLabs 12.01 "(21S,24S)-27-amino-24-hydroxy-24-oxido-18-oxo-19,23,25-trioxa-24lambda~5~-phosphaheptacosan-21-yl (9Z)-octadec-9-enoate" L9Q "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.7.0 "[(2S)-3-[2-azanylethoxy(hydroxy)phosphoryl]oxy-2-[(Z)-octadec-9-enoyl]oxy-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 L9Q "Create component" 2010-03-19 RCSB L9Q "Modify descriptor" 2011-06-04 RCSB L9Q "Modify synonyms" 2020-06-05 PDBE # _pdbx_chem_comp_synonyms.ordinal 1 _pdbx_chem_comp_synonyms.comp_id L9Q _pdbx_chem_comp_synonyms.name 1-stearoyl-2-oleoyl-sn-glycero-3-phosphoethanolamine _pdbx_chem_comp_synonyms.provenance ? _pdbx_chem_comp_synonyms.type ? ##