data_F8L # _chem_comp.id F8L _chem_comp.name "[(2Z,6E,10E,14Z,18E,22Z,26Z)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaenyl] [(2S,3S,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl] hydrogen phosphate" _chem_comp.type non-polymer _chem_comp.pdbx_type HETAIN _chem_comp.formula "C55 H91 O8 P" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms ? _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 2020-04-14 _chem_comp.pdbx_modified_date 2020-04-24 _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 911.280 _chem_comp.one_letter_code ? _chem_comp.three_letter_code F8L _chem_comp.pdbx_model_coordinates_details ? _chem_comp.pdbx_model_coordinates_missing_flag Y _chem_comp.pdbx_ideal_coordinates_details Corina _chem_comp.pdbx_ideal_coordinates_missing_flag N _chem_comp.pdbx_model_coordinates_db_code 7BVC _chem_comp.pdbx_subcomponent_list ? _chem_comp.pdbx_processing_site PDBJ # # 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 F8L C16 C1 C 0 1 N N N 171.290 146.160 129.570 -6.799 -2.430 2.270 C16 F8L 1 F8L C17 C2 C 0 1 N N N 170.455 145.039 128.874 -5.876 -3.452 2.882 C17 F8L 2 F8L C18 C3 C 0 1 N N N 171.161 144.046 127.922 -5.581 -3.413 4.359 C18 F8L 3 F8L C19 C4 C 0 1 N N N 169.127 144.927 129.091 -5.329 -4.374 2.129 C19 F8L 4 F8L C20 C5 C 0 1 N N N 168.601 146.013 130.076 -5.737 -4.508 0.685 C20 F8L 5 F8L C21 C6 C 0 1 N N N 167.093 145.782 130.386 -4.520 -4.275 -0.213 C21 F8L 6 F8L C22 C7 C 0 1 N N N 166.938 144.874 131.643 -4.951 -4.292 -1.657 C22 F8L 7 F8L C23 C8 C 0 1 N N N 167.044 143.335 131.492 -5.015 -5.597 -2.409 C23 F8L 8 F8L C24 C9 C 0 1 N N N 166.717 145.402 132.870 -5.269 -3.173 -2.259 C24 F8L 9 F8L C25 C10 C 0 1 N N N 166.637 146.961 132.856 -5.252 -1.875 -1.494 C25 F8L 10 F8L C26 C11 C 0 1 N N N 166.291 147.470 134.287 -4.201 -0.941 -2.098 C26 F8L 11 F8L C27 C12 C 0 1 N N N 166.203 149.032 134.277 -4.100 0.309 -1.263 C27 F8L 12 F8L C28 C13 C 0 1 N N N 166.855 149.834 133.124 -5.053 1.452 -1.499 C28 F8L 13 F8L C29 C14 C 0 1 N N N 165.546 149.662 135.280 -3.184 0.402 -0.331 C29 F8L 14 F8L C30 C15 C 0 1 N N N 165.553 151.212 135.118 -3.164 1.594 0.590 C30 F8L 15 F8L C31 C16 C 0 1 N N N 164.596 151.853 136.176 -3.247 1.119 2.042 C31 F8L 16 F8L C32 C17 C 0 1 N N N 165.395 152.219 137.465 -3.108 2.301 2.966 C32 F8L 17 F8L C33 C18 C 0 1 N N N 165.707 151.121 138.508 -4.324 3.103 3.353 C33 F8L 18 F8L C34 C19 C 0 1 N N N 165.827 153.488 137.683 -1.929 2.632 3.433 C34 F8L 19 F8L C35 C20 C 0 1 N N N 165.424 154.458 136.528 -0.694 1.939 2.921 C35 F8L 20 F8L C36 C21 C 0 1 N N N 166.702 154.858 135.732 0.271 2.976 2.344 C36 F8L 21 F8L C37 C22 C 0 1 N N N 166.476 156.254 135.079 1.452 2.274 1.725 C37 F8L 22 F8L C38 C23 C 0 1 N N N 166.955 156.504 133.629 2.622 1.866 2.584 C38 F8L 23 F8L C39 C24 C 0 1 N N N 165.861 157.222 135.792 1.463 2.018 0.440 C39 F8L 24 F8L C40 C25 C 0 1 N N N 165.712 158.553 134.997 2.584 1.209 -0.158 C40 F8L 25 F8L C41 C26 C 0 1 N N N 165.123 159.645 135.946 2.001 0.036 -0.949 C41 F8L 26 F8L C42 C27 C 0 1 N N N 163.692 160.018 135.452 3.121 -0.841 -1.447 C42 F8L 27 F8L C43 C28 C 0 1 N N N 163.349 159.859 133.960 3.826 -0.502 -2.735 C43 F8L 28 F8L C44 C29 C 0 1 N N N 162.779 160.463 136.344 3.482 -1.896 -0.761 C44 F8L 29 F8L C45 C30 C 0 1 N N N 161.412 160.785 135.692 4.653 -2.727 -1.217 C45 F8L 30 F8L C46 C31 C 0 1 N N N 160.304 159.946 136.401 5.653 -2.873 -0.068 C46 F8L 31 F8L C47 C32 C 0 1 N N N 159.372 159.309 135.334 6.766 -3.799 -0.485 C47 F8L 32 F8L C48 C33 C 0 1 N N N 159.698 159.464 133.833 6.619 -5.287 -0.295 C48 F8L 33 F8L C49 C34 C 0 1 N N N 158.281 158.614 135.699 7.862 -3.312 -1.012 C49 F8L 34 F8L C50 C35 C 0 1 N N N 158.087 158.543 137.239 8.044 -1.821 -1.126 C50 F8L 35 F8L C55 C36 C 0 1 N N S 155.036 159.685 135.431 12.077 1.306 0.224 C55 F8L 36 F8L C57 C37 C 0 1 N N S 154.032 159.805 134.574 13.050 1.136 1.419 C57 F8L 37 F8L C59 C38 C 0 1 N N S 154.018 161.338 134.015 14.110 2.228 1.132 C59 F8L 38 F8L C61 C39 C 0 1 N N R 154.901 162.064 134.763 13.961 2.511 -0.376 C61 F8L 39 F8L C62 C40 C 0 1 N N N 154.176 162.786 135.893 15.290 2.247 -1.088 C62 F8L 40 F8L O51 O1 O 0 1 N N N 156.763 158.122 137.519 9.361 -1.468 -0.698 O51 F8L 41 F8L O53 O2 O 0 1 N N N 154.929 158.848 139.204 9.979 0.603 -2.196 O53 F8L 42 F8L O54 O3 O 0 1 N N N 154.555 159.488 136.717 11.370 0.090 -0.025 O54 F8L 43 F8L O56 O4 O 0 1 N N N 155.875 161.041 135.354 12.949 1.623 -0.882 O56 F8L 44 F8L O58 O5 O 0 1 N N N 152.789 159.516 135.250 13.643 -0.164 1.412 O58 F8L 45 F8L O60 O6 O 0 1 N N N 154.413 161.348 132.650 13.833 3.406 1.891 O60 F8L 46 F8L O63 O7 O 0 1 N N N 155.103 163.622 136.545 15.176 2.623 -2.462 O63 F8L 47 F8L O64 O8 O 0 1 N N N 156.375 160.580 138.204 8.981 0.896 0.104 O64 F8L 48 F8L P52 P1 P 0 1 N N N 155.652 159.279 137.947 9.902 0.049 -0.687 P52 F8L 49 F8L H1 H1 H 0 1 N N N 171.201 146.450 130.627 -6.694 -1.483 2.799 H1 F8L 50 F8L H2 H2 H 0 1 N N N 172.141 146.688 129.116 -6.542 -2.291 1.220 H2 F8L 51 F8L H5 H5 H 0 1 N N N 172.233 144.288 127.868 -4.708 -2.785 4.539 H5 F8L 52 F8L H6 H6 H 0 1 N N N 171.036 143.021 128.302 -6.440 -3.002 4.890 H6 F8L 53 F8L H7 H7 H 0 1 N N N 170.717 144.121 126.919 -5.382 -4.423 4.717 H7 F8L 54 F8L H8 H8 H 0 1 N N N 168.503 144.173 128.635 -4.586 -5.040 2.544 H8 F8L 55 F8L H10 H10 H 0 1 N N N 169.175 145.961 131.013 -6.132 -5.509 0.510 H10 F8L 56 F8L H11 H11 H 0 1 N N N 168.729 147.007 129.622 -6.505 -3.769 0.454 H11 F8L 57 F8L H12 H12 H 0 1 N N N 166.608 146.751 130.575 -4.075 -3.308 0.022 H12 F8L 58 F8L H13 H13 H 0 1 N N N 166.615 145.294 129.524 -3.787 -5.064 -0.043 H13 F8L 59 F8L H15 H15 H 0 1 N N N 166.910 142.860 132.475 -6.008 -6.032 -2.297 H15 F8L 60 F8L H16 H16 H 0 1 N N N 166.263 142.980 130.804 -4.813 -5.418 -3.465 H16 F8L 61 F8L H17 H17 H 0 1 N N N 168.034 143.073 131.090 -4.270 -6.284 -2.007 H17 F8L 62 F8L H18 H18 H 0 1 N N N 166.608 144.807 133.765 -5.543 -3.181 -3.304 H18 F8L 63 F8L H20 H20 H 0 1 N N N 167.606 147.376 132.542 -6.233 -1.405 -1.554 H20 F8L 64 F8L H21 H21 H 0 1 N N N 165.855 147.283 132.152 -5.006 -2.071 -0.451 H21 F8L 65 F8L H22 H22 H 0 1 N N N 165.324 147.050 134.602 -3.235 -1.445 -2.117 H22 F8L 66 F8L H23 H23 H 0 1 N N N 167.075 147.151 134.989 -4.492 -0.676 -3.115 H23 F8L 67 F8L H25 H25 H 0 1 N N N 166.691 150.910 133.287 -5.917 1.346 -0.843 H25 F8L 68 F8L H26 H26 H 0 1 N N N 167.935 149.627 133.099 -4.549 2.395 -1.286 H26 F8L 69 F8L H27 H27 H 0 1 N N N 166.402 149.535 132.167 -5.382 1.443 -2.538 H27 F8L 70 F8L H28 H28 H 0 1 N N N 165.070 149.147 136.101 -2.443 -0.377 -0.222 H28 F8L 71 F8L H30 H30 H 0 1 N N N 166.574 151.592 135.270 -2.239 2.152 0.443 H30 F8L 72 F8L H31 H31 H 0 1 N N N 165.210 151.476 134.107 -4.015 2.239 0.369 H31 F8L 73 F8L H32 H32 H 0 1 N N N 164.146 152.764 135.755 -4.210 0.637 2.212 H32 F8L 74 F8L H33 H33 H 0 1 N N N 163.802 151.136 136.431 -2.445 0.408 2.238 H33 F8L 75 F8L H35 H35 H 0 1 N N N 166.273 151.559 139.344 -4.765 2.681 4.256 H35 F8L 76 F8L H36 H36 H 0 1 N N N 164.765 150.696 138.886 -4.033 4.137 3.540 H36 F8L 77 F8L H37 H37 H 0 1 N N N 166.305 150.327 138.037 -5.053 3.071 2.543 H37 F8L 78 F8L H38 H38 H 0 1 N N N 166.386 153.792 138.556 -1.844 3.402 4.186 H38 F8L 79 F8L H40 H40 H 0 1 N N N 164.955 155.359 136.950 -0.209 1.407 3.740 H40 F8L 80 F8L H41 H41 H 0 1 N N N 164.713 153.956 135.856 -0.972 1.229 2.142 H41 F8L 81 F8L H42 H42 H 0 1 N N N 166.897 154.111 134.948 -0.241 3.566 1.584 H42 F8L 82 F8L H43 H43 H 0 1 N N N 167.563 154.905 136.416 0.617 3.634 3.142 H43 F8L 83 F8L H45 H45 H 0 1 N N N 166.714 157.536 133.336 2.490 0.835 2.912 H45 F8L 84 F8L H46 H46 H 0 1 N N N 168.043 156.351 133.571 3.543 1.949 2.007 H46 F8L 85 F8L H47 H47 H 0 1 N N N 166.449 155.802 132.950 2.679 2.520 3.454 H47 F8L 86 F8L H48 H48 H 0 1 N N N 165.510 157.088 136.805 0.668 2.388 -0.190 H48 F8L 87 F8L H50 H50 H 0 1 N N N 166.697 158.876 134.629 3.172 1.839 -0.824 H50 F8L 88 F8L H51 H51 H 0 1 N N N 165.034 158.400 134.144 3.223 0.827 0.639 H51 F8L 89 F8L H52 H52 H 0 1 N N N 165.070 159.254 136.973 1.344 -0.547 -0.303 H52 F8L 90 F8L H53 H53 H 0 1 N N N 165.766 160.538 135.927 1.432 0.417 -1.797 H53 F8L 91 F8L H55 H55 H 0 1 N N N 162.306 160.165 133.788 4.674 0.150 -2.525 H55 F8L 92 F8L H56 H56 H 0 1 N N N 164.020 160.491 133.360 4.181 -1.418 -3.207 H56 F8L 93 F8L H57 H57 H 0 1 N N N 163.476 158.807 133.665 3.134 0.007 -3.406 H57 F8L 94 F8L H58 H58 H 0 1 N N N 162.981 160.581 137.398 2.939 -2.171 0.132 H58 F8L 95 F8L H60 H60 H 0 1 N N N 161.192 161.857 135.805 4.303 -3.714 -1.520 H60 F8L 96 F8L H61 H61 H 0 1 N N N 161.443 160.528 134.623 5.139 -2.239 -2.062 H61 F8L 97 F8L H62 H62 H 0 1 N N N 159.714 160.600 137.059 6.068 -1.895 0.178 H62 F8L 98 F8L H63 H63 H 0 1 N N N 160.773 159.151 136.999 5.147 -3.283 0.805 H63 F8L 99 F8L H65 H65 H 0 1 N N N 160.617 160.057 133.716 6.918 -5.555 0.719 H65 F8L 100 F8L H66 H66 H 0 1 N N N 159.843 158.470 133.385 5.578 -5.572 -0.454 H66 F8L 101 F8L H67 H67 H 0 1 N N N 158.865 159.976 133.328 7.252 -5.810 -1.011 H67 F8L 102 F8L H68 H68 H 0 1 N N N 157.607 158.152 134.993 8.634 -3.979 -1.365 H68 F8L 103 F8L H70 H70 H 0 1 N N N 158.801 157.824 137.668 7.906 -1.516 -2.164 H70 F8L 104 F8L H71 H71 H 0 1 N N N 158.259 159.537 137.678 7.310 -1.316 -0.498 H71 F8L 105 F8L H72 H72 H 0 1 N N N 155.708 158.863 135.145 11.380 2.123 0.410 H72 F8L 106 F8L H73 H73 H 0 1 N N N 154.152 159.137 133.708 12.542 1.325 2.364 H73 F8L 107 F8L H74 H74 H 0 1 N N N 152.993 161.723 134.121 15.110 1.856 1.353 H74 F8L 108 F8L H75 H75 H 0 1 N N N 155.456 162.793 134.154 13.655 3.545 -0.530 H75 F8L 109 F8L H76 H76 H 0 1 N N N 153.354 163.390 135.482 16.078 2.833 -0.615 H76 F8L 110 F8L H77 H77 H 0 1 N N N 153.771 162.052 136.605 15.535 1.188 -1.020 H77 F8L 111 F8L H78 H78 H 0 1 N N N 155.081 159.486 139.892 10.566 0.094 -2.773 H78 F8L 112 F8L H79 H79 H 0 1 N N N 152.804 158.623 135.573 13.007 -0.887 1.498 H79 F8L 113 F8L H80 H80 H 0 1 N N N 154.405 162.240 132.324 13.854 3.270 2.849 H80 F8L 114 F8L H81 H81 H 0 1 N N N 154.670 164.082 137.255 15.983 2.483 -2.976 H81 F8L 115 F8L C15 C41 C 0 1 N N N ? ? ? -8.245 -2.918 2.381 C15 F8L 116 F8L C14 C42 C 0 1 N N N ? ? ? -9.177 -1.846 1.878 C14 F8L 117 F8L C12 C43 C 0 1 N N N ? ? ? -9.949 -2.081 0.846 C12 F8L 118 F8L C11 C44 C 0 1 N N N ? ? ? -10.919 -1.027 0.375 C11 F8L 119 F8L C10 C45 C 0 1 N N N ? ? ? -10.282 -0.218 -0.756 C10 F8L 120 F8L C9 C46 C 0 1 N N N ? ? ? -11.292 0.757 -1.306 C9 F8L 121 F8L C7 C47 C 0 1 N N N ? ? ? -11.054 2.044 -1.257 C7 F8L 122 F8L C6 C48 C 0 1 N N N ? ? ? -11.998 3.010 -1.924 C6 F8L 123 F8L C5 C49 C 0 1 N N N ? ? ? -13.008 3.528 -0.899 C5 F8L 124 F8L C4 C50 C 0 1 N N N ? ? ? -13.952 4.495 -1.566 C4 F8L 125 F8L C3 C51 C 0 1 N N N ? ? ? -15.237 4.241 -1.595 C3 F8L 126 F8L C2 C52 C 0 1 N N N ? ? ? -15.756 2.921 -1.086 C2 F8L 127 F8L C13 C53 C 0 1 N N N ? ? ? -9.869 -3.405 0.131 C13 F8L 128 F8L C8 C54 C 0 1 N N N ? ? ? -9.837 2.558 -0.532 C8 F8L 129 F8L C1 C55 C 0 1 N N N ? ? ? -16.195 5.270 -2.136 C1 F8L 130 F8L H3 H3 H 0 1 N N N ? ? ? -8.371 -3.819 1.782 H3 F8L 131 F8L H4 H4 H 0 1 N N N ? ? ? -8.475 -3.139 3.423 H4 F8L 132 F8L H9 H9 H 0 1 N N N ? ? ? -9.208 -0.883 2.367 H9 F8L 133 F8L H14 H14 H 0 1 N N N ? ? ? -11.828 -1.507 0.012 H14 F8L 134 F8L H19 H19 H 0 1 N N N ? ? ? -11.164 -0.363 1.204 H19 F8L 135 F8L H24 H24 H 0 1 N N N ? ? ? -9.421 0.329 -0.372 H24 F8L 136 F8L H29 H29 H 0 1 N N N ? ? ? -9.959 -0.893 -1.549 H29 F8L 137 F8L H34 H34 H 0 1 N N N ? ? ? -12.211 0.394 -1.741 H34 F8L 138 F8L H39 H39 H 0 1 N N N ? ? ? -11.432 3.848 -2.332 H39 F8L 139 F8L H44 H44 H 0 1 N N N ? ? ? -12.527 2.503 -2.731 H44 F8L 140 F8L H49 H49 H 0 1 N N N ? ? ? -13.574 2.690 -0.491 H49 F8L 141 F8L H54 H54 H 0 1 N N N ? ? ? -12.479 4.035 -0.092 H54 F8L 142 F8L H59 H59 H 0 1 N N N ? ? ? -13.569 5.396 -2.021 H59 F8L 143 F8L H64 H64 H 0 1 N N N ? ? ? -15.876 2.971 -0.004 H64 F8L 144 F8L H69 H69 H 0 1 N N N ? ? ? -16.719 2.707 -1.550 H69 F8L 145 F8L H82 H82 H 0 1 N N N ? ? ? -15.048 2.131 -1.337 H82 F8L 146 F8L H83 H83 H 0 1 N N N ? ? ? -10.484 -4.138 0.652 H83 F8L 147 F8L H84 H84 H 0 1 N N N ? ? ? -10.230 -3.288 -0.891 H84 F8L 148 F8L H85 H85 H 0 1 N N N ? ? ? -8.834 -3.746 0.113 H85 F8L 149 F8L H86 H86 H 0 1 N N N ? ? ? -8.981 2.548 -1.207 H86 F8L 150 F8L H87 H87 H 0 1 N N N ? ? ? -10.019 3.578 -0.193 H87 F8L 151 F8L H88 H88 H 0 1 N N N ? ? ? -9.629 1.921 0.327 H88 F8L 152 F8L H89 H89 H 0 1 N N N ? ? ? -15.640 6.153 -2.454 H89 F8L 153 F8L H90 H90 H 0 1 N N N ? ? ? -16.733 4.853 -2.988 H90 F8L 154 F8L H91 H91 H 0 1 N N N ? ? ? -16.907 5.549 -1.359 H91 F8L 155 # # 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 F8L C18 C17 SING N N 1 F8L C17 C19 DOUB N Z 2 F8L C17 C16 SING N N 3 F8L C19 C20 SING N N 4 F8L C20 C21 SING N N 5 F8L C21 C22 SING N N 6 F8L C23 C22 SING N N 7 F8L C22 C24 DOUB N Z 8 F8L O60 C59 SING N N 9 F8L C25 C24 SING N N 10 F8L C25 C26 SING N N 11 F8L C28 C27 SING N N 12 F8L C38 C37 SING N N 13 F8L C48 C47 SING N N 14 F8L C43 C42 SING N N 15 F8L C59 C57 SING N N 16 F8L C59 C61 SING N N 17 F8L C27 C26 SING N N 18 F8L C27 C29 DOUB N E 19 F8L C57 O58 SING N N 20 F8L C57 C55 SING N N 21 F8L C61 O56 SING N N 22 F8L C61 C62 SING N N 23 F8L C40 C39 SING N N 24 F8L C40 C41 SING N N 25 F8L C37 C36 SING N N 26 F8L C37 C39 DOUB N E 27 F8L C30 C29 SING N N 28 F8L C30 C31 SING N N 29 F8L C47 C49 DOUB N Z 30 F8L C47 C46 SING N N 31 F8L O56 C55 SING N N 32 F8L C55 O54 SING N N 33 F8L C42 C41 SING N N 34 F8L C42 C44 DOUB N E 35 F8L C45 C44 SING N N 36 F8L C45 C46 SING N N 37 F8L C49 C50 SING N N 38 F8L C36 C35 SING N N 39 F8L C62 O63 SING N N 40 F8L C31 C32 SING N N 41 F8L C35 C34 SING N N 42 F8L O54 P52 SING N N 43 F8L C50 O51 SING N N 44 F8L C32 C34 DOUB N Z 45 F8L C32 C33 SING N N 46 F8L O51 P52 SING N N 47 F8L P52 O64 DOUB N N 48 F8L P52 O53 SING N N 49 F8L C16 H1 SING N N 50 F8L C16 H2 SING N N 51 F8L C18 H5 SING N N 52 F8L C18 H6 SING N N 53 F8L C18 H7 SING N N 54 F8L C19 H8 SING N N 55 F8L C20 H10 SING N N 56 F8L C20 H11 SING N N 57 F8L C21 H12 SING N N 58 F8L C21 H13 SING N N 59 F8L C23 H15 SING N N 60 F8L C23 H16 SING N N 61 F8L C23 H17 SING N N 62 F8L C24 H18 SING N N 63 F8L C25 H20 SING N N 64 F8L C25 H21 SING N N 65 F8L C26 H22 SING N N 66 F8L C26 H23 SING N N 67 F8L C28 H25 SING N N 68 F8L C28 H26 SING N N 69 F8L C28 H27 SING N N 70 F8L C29 H28 SING N N 71 F8L C30 H30 SING N N 72 F8L C30 H31 SING N N 73 F8L C31 H32 SING N N 74 F8L C31 H33 SING N N 75 F8L C33 H35 SING N N 76 F8L C33 H36 SING N N 77 F8L C33 H37 SING N N 78 F8L C34 H38 SING N N 79 F8L C35 H40 SING N N 80 F8L C35 H41 SING N N 81 F8L C36 H42 SING N N 82 F8L C36 H43 SING N N 83 F8L C38 H45 SING N N 84 F8L C38 H46 SING N N 85 F8L C38 H47 SING N N 86 F8L C39 H48 SING N N 87 F8L C40 H50 SING N N 88 F8L C40 H51 SING N N 89 F8L C41 H52 SING N N 90 F8L C41 H53 SING N N 91 F8L C43 H55 SING N N 92 F8L C43 H56 SING N N 93 F8L C43 H57 SING N N 94 F8L C44 H58 SING N N 95 F8L C45 H60 SING N N 96 F8L C45 H61 SING N N 97 F8L C46 H62 SING N N 98 F8L C46 H63 SING N N 99 F8L C48 H65 SING N N 100 F8L C48 H66 SING N N 101 F8L C48 H67 SING N N 102 F8L C49 H68 SING N N 103 F8L C50 H70 SING N N 104 F8L C50 H71 SING N N 105 F8L C55 H72 SING N N 106 F8L C57 H73 SING N N 107 F8L C59 H74 SING N N 108 F8L C61 H75 SING N N 109 F8L C62 H76 SING N N 110 F8L C62 H77 SING N N 111 F8L O53 H78 SING N N 112 F8L O58 H79 SING N N 113 F8L O60 H80 SING N N 114 F8L O63 H81 SING N N 115 F8L C16 C15 SING N N 116 F8L C15 C14 SING N N 117 F8L C14 C12 DOUB N N 118 F8L C12 C11 SING N N 119 F8L C11 C10 SING N N 120 F8L C10 C9 SING N N 121 F8L C9 C7 DOUB N N 122 F8L C7 C6 SING N N 123 F8L C6 C5 SING N N 124 F8L C5 C4 SING N N 125 F8L C4 C3 DOUB N N 126 F8L C3 C2 SING N N 127 F8L C12 C13 SING N N 128 F8L C7 C8 SING N N 129 F8L C3 C1 SING N N 130 F8L C15 H3 SING N N 131 F8L C15 H4 SING N N 132 F8L C14 H9 SING N N 133 F8L C11 H14 SING N N 134 F8L C11 H19 SING N N 135 F8L C10 H24 SING N N 136 F8L C10 H29 SING N N 137 F8L C9 H34 SING N N 138 F8L C6 H39 SING N N 139 F8L C6 H44 SING N N 140 F8L C5 H49 SING N N 141 F8L C5 H54 SING N N 142 F8L C4 H59 SING N N 143 F8L C2 H64 SING N N 144 F8L C2 H69 SING N N 145 F8L C2 H82 SING N N 146 F8L C13 H83 SING N N 147 F8L C13 H84 SING N N 148 F8L C13 H85 SING N N 149 F8L C8 H86 SING N N 150 F8L C8 H87 SING N N 151 F8L C8 H88 SING N N 152 F8L C1 H89 SING N N 153 F8L C1 H90 SING N N 154 F8L C1 H91 SING N N 155 # # 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 F8L InChI InChI 1.03 "InChI=1S/C55H91O8P/c1-42(2)21-12-22-43(3)23-13-24-44(4)25-14-26-45(5)27-15-28-46(6)29-16-30-47(7)31-17-32-48(8)33-18-34-49(9)35-19-36-50(10)37-20-38-51(11)39-40-61-64(59,60)63-55-54(58)53(57)52(41-56)62-55/h21,23,25,27,29,31,33,35,37,39,52-58H,12-20,22,24,26,28,30,32,34,36,38,40-41H2,1-11H3,(H,59,60)/b43-23?,44-25?,45-27-,46-29-,47-31+,48-33-,49-35+,50-37+,51-39-/t52-,53-,54+,55+/m1/s1" F8L InChIKey InChI 1.03 YRIPSPRNAZBQAG-KAKITAEPSA-N F8L SMILES_CANONICAL CACTVS 3.385 "CC(C)=CCCC(C)=CCCC(C)=CCC\C(C)=C/CC\C(C)=C/CC\C(C)=C\CC\C(C)=C/CC\C(C)=C\CC\C(C)=C\CC\C(C)=C/CO[P](O)(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O" F8L SMILES CACTVS 3.385 "CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCO[P](O)(=O)O[CH]1O[CH](CO)[CH](O)[CH]1O" F8L SMILES_CANONICAL "OpenEye OEToolkits" 2.0.7 "CC(=CCCC(=CCCC(=CCC/C(=C\CC/C(=C\CC/C(=C/CC/C(=C\CC/C(=C/CC/C(=C/CC/C(=C\COP(=O)(O)O[C@H]1[C@H]([C@@H]([C@H](O1)CO)O)O)/C)/C)/C)/C)/C)/C)/C)C)C)C" F8L SMILES "OpenEye OEToolkits" 2.0.7 "CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCOP(=O)(O)OC1C(C(C(O1)CO)O)O)C)C)C)C)C)C)C)C)C)C" # _pdbx_chem_comp_identifier.comp_id F8L _pdbx_chem_comp_identifier.type "SYSTEMATIC NAME" _pdbx_chem_comp_identifier.program "OpenEye OEToolkits" _pdbx_chem_comp_identifier.program_version 2.0.7 _pdbx_chem_comp_identifier.identifier "[(2~{Z},6~{E},10~{E},14~{Z},18~{E},22~{Z},26~{Z})-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaenyl] [(2~{S},3~{S},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl] hydrogen 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 F8L "Create component" 2020-04-14 PDBJ F8L "Initial release" 2020-04-29 RCSB ##