data_H3T # _chem_comp.id H3T _chem_comp.name "Phospholipid PG(16:0/cy17:0)" _chem_comp.type NON-POLYMER _chem_comp.pdbx_type HETAIN _chem_comp.formula "C39 H75 O10 P" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms ? _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 2018-11-14 _chem_comp.pdbx_modified_date 2019-10-18 _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 734.981 _chem_comp.one_letter_code ? _chem_comp.three_letter_code H3T _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 6HSY _chem_comp.pdbx_subcomponent_list ? _chem_comp.pdbx_processing_site EBI # # 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 H3T C10 C1 C 0 1 N N N 46.152 18.570 28.680 -7.445 -0.846 0.666 C10 H3T 1 H3T C11 C2 C 0 1 N N N 46.887 19.917 28.529 -8.733 -1.268 1.377 C11 H3T 2 H3T C12 C3 C 0 1 N N N 48.177 20.063 29.367 -9.659 -1.968 0.380 C12 H3T 3 H3T C01 C4 C 0 1 N N R 38.923 15.321 25.713 1.231 3.652 2.173 C01 H3T 4 H3T C02 C5 C 0 1 N N N 38.859 16.913 25.972 -0.083 3.200 2.814 C02 H3T 5 H3T C04 C6 C 0 1 N N N 41.092 17.179 24.995 -2.104 2.087 2.218 C04 H3T 6 H3T C06 C7 C 0 1 N N N 42.181 17.858 25.897 -3.017 1.398 1.237 C06 H3T 7 H3T C07 C8 C 0 1 N N N 43.326 16.894 26.357 -4.305 0.976 1.948 C07 H3T 8 H3T C08 C9 C 0 1 N N N 44.090 17.340 27.634 -5.231 0.276 0.951 C08 H3T 9 H3T C09 C10 C 0 1 N N N 45.459 18.027 27.406 -6.518 -0.146 1.662 C09 H3T 10 H3T C13 C11 C 0 1 N N N 48.944 21.391 29.209 -10.947 -2.390 1.091 C13 H3T 11 H3T C14 C12 C 0 1 N N N 50.476 21.288 29.110 -11.873 -3.090 0.095 C14 H3T 12 H3T C15 C13 C 0 1 N N N 51.243 22.382 29.878 -13.161 -3.512 0.805 C15 H3T 13 H3T C16 C14 C 0 1 N N N 52.775 22.295 29.772 -14.087 -4.212 -0.191 C16 H3T 14 H3T C17 C15 C 0 1 N N N 53.555 22.551 31.078 -15.375 -4.634 0.520 C17 H3T 15 H3T C18 C16 C 0 1 N N N 55.060 22.215 31.009 -16.301 -5.334 -0.477 C18 H3T 16 H3T C19 C17 C 0 1 N N N 56.003 23.423 31.118 -17.589 -5.756 0.234 C19 H3T 17 H3T C20 C18 C 0 1 N N N 57.402 23.191 30.547 -18.515 -6.456 -0.762 C20 H3T 18 H3T C21 C19 C 0 1 N N N 38.421 14.997 24.246 0.928 4.534 0.960 C21 H3T 19 H3T C27 C20 C 0 1 N N N 35.309 15.683 22.770 -2.222 3.763 -3.205 C27 H3T 20 H3T C28 C21 C 0 1 N N S 33.873 16.191 22.453 -3.124 2.587 -3.584 C28 H3T 21 H3T C30 C22 C 0 1 N N N 33.241 15.549 21.169 -3.802 2.875 -4.925 C30 H3T 22 H3T C33 C23 C 0 1 N N N 38.502 14.570 27.956 3.326 2.599 1.751 C33 H3T 23 H3T C35 C24 C 0 1 N N N 39.607 13.531 28.356 4.179 1.432 1.324 C35 H3T 24 H3T C36 C25 C 0 1 N N N 40.638 14.088 29.408 5.656 1.818 1.418 C36 H3T 25 H3T C37 C26 C 0 1 N N N 41.580 13.042 30.072 6.522 0.634 0.984 C37 H3T 26 H3T C38 C27 C 0 1 N N N 43.074 13.466 30.218 7.999 1.020 1.079 C38 H3T 27 H3T C39 C28 C 0 1 N N N 43.790 13.018 31.516 8.865 -0.165 0.645 C39 H3T 28 H3T C40 C29 C 0 1 N N N 44.989 12.039 31.326 10.342 0.221 0.740 C40 H3T 29 H3T C41 C30 C 0 1 N N N 46.137 12.205 32.346 11.208 -0.963 0.306 C41 H3T 30 H3T C42 C31 C 0 1 N N S 46.713 13.610 32.506 12.685 -0.577 0.400 C42 H3T 31 H3T C43 C32 C 0 1 N N N 47.385 14.248 31.338 13.493 -0.549 -0.899 C43 H3T 32 H3T C44 C33 C 0 1 N N R 48.223 13.915 32.518 13.720 -1.668 0.119 C44 H3T 33 H3T C45 C34 C 0 1 N N N 49.308 12.847 32.394 13.198 -3.062 -0.235 C45 H3T 34 H3T C46 C35 C 0 1 N N N 50.651 13.349 31.873 14.376 -4.032 -0.356 C46 H3T 35 H3T C47 C36 C 0 1 N N N 51.894 12.537 32.246 13.854 -5.426 -0.711 C47 H3T 36 H3T C48 C37 C 0 1 N N N 53.191 13.115 31.642 15.031 -6.395 -0.832 C48 H3T 37 H3T C49 C38 C 0 1 N N N 54.369 12.145 31.534 14.509 -7.789 -1.186 C49 H3T 38 H3T C50 C39 C 0 1 N N N 55.628 12.628 32.254 15.687 -8.759 -1.307 C50 H3T 39 H3T O03 O1 O 0 1 N N N 39.774 17.657 25.099 -0.909 2.547 1.815 O03 H3T 40 H3T O05 O2 O 0 1 N N N 41.349 16.288 24.253 -2.448 2.227 3.368 O05 H3T 41 H3T O22 O3 O 0 1 N N N 37.971 13.698 24.133 0.068 3.830 0.061 O22 H3T 42 H3T O24 O4 O 0 1 N N N 35.773 12.394 24.727 0.794 4.693 -2.314 O24 H3T 43 H3T O25 O5 O 0 1 N N N 36.342 12.955 22.244 -1.123 5.753 -1.060 O25 H3T 44 H3T O26 O6 O 0 1 N N N 35.349 14.808 23.828 -1.500 3.446 -2.013 O26 H3T 45 H3T O29 O7 O 0 1 N N N 33.962 17.557 22.215 -4.120 2.407 -2.575 O29 H3T 46 H3T O31 O8 O 0 1 N N N 31.930 16.000 21.064 -4.552 1.729 -5.335 O31 H3T 47 H3T O32 O9 O 0 1 N N N 38.066 14.595 26.629 1.988 2.489 1.748 O32 H3T 48 H3T O34 O10 O 0 1 N N N 38.040 15.344 28.718 3.847 3.633 2.097 O34 H3T 49 H3T P23 P1 P 0 1 N N N 36.289 13.324 23.690 -0.455 4.459 -1.326 P23 H3T 50 H3T H102 H1 H 0 0 N N N 45.382 18.692 29.456 -6.946 -1.728 0.263 H102 H3T 51 H3T H101 H2 H 0 0 N N N 46.887 17.821 29.008 -7.687 -0.162 -0.148 H101 H3T 52 H3T H111 H3 H 0 0 N N N 47.154 20.041 27.469 -8.491 -1.952 2.190 H111 H3T 53 H3T H112 H4 H 0 0 N N N 46.195 20.717 28.829 -9.231 -0.386 1.779 H112 H3T 54 H3T H121 H5 H 0 0 N N N 47.902 19.958 30.427 -9.901 -1.284 -0.433 H121 H3T 55 H3T H122 H6 H 0 0 N N N 48.857 19.247 29.082 -9.160 -2.850 -0.022 H122 H3T 56 H3T H011 H7 H 0 0 N N N 39.968 14.992 25.813 1.813 4.220 2.899 H011 H3T 57 H3T H022 H8 H 0 0 N N N 39.130 17.112 27.019 0.130 2.501 3.623 H022 H3T 58 H3T H021 H9 H 0 0 N N N 37.832 17.261 25.786 -0.610 4.067 3.212 H021 H3T 59 H3T H061 H10 H 0 0 N N N 42.633 18.684 25.329 -3.259 2.082 0.423 H061 H3T 60 H3T H062 H11 H 0 0 N N N 41.686 18.258 26.794 -2.518 0.516 0.835 H062 H3T 61 H3T H072 H12 H 0 0 N N N 42.882 15.907 26.553 -4.063 0.292 2.761 H072 H3T 62 H3T H071 H13 H 0 0 N N N 44.053 16.813 25.536 -4.803 1.858 2.350 H071 H3T 63 H3T H082 H14 H 0 0 N N N 43.447 18.046 28.181 -5.473 0.960 0.138 H082 H3T 64 H3T H081 H15 H 0 0 N N N 44.262 16.446 28.252 -4.732 -0.606 0.549 H081 H3T 65 H3T H091 H16 H 0 0 N N N 46.133 17.293 26.940 -7.017 0.736 2.065 H091 H3T 66 H3T H092 H17 H 0 0 N N N 45.304 18.871 26.718 -6.277 -0.830 2.476 H092 H3T 67 H3T H131 H18 H 0 0 N N N 48.706 22.020 30.079 -10.705 -3.074 1.905 H131 H3T 68 H3T H132 H19 H 0 0 N N N 48.581 21.880 28.293 -11.445 -1.508 1.493 H132 H3T 69 H3T H142 H20 H 0 0 N N N 50.781 20.310 29.510 -12.115 -2.406 -0.719 H142 H3T 70 H3T H141 H21 H 0 0 N N N 50.756 21.353 28.048 -11.375 -3.972 -0.308 H141 H3T 71 H3T H151 H22 H 0 0 N N N 50.928 23.360 29.485 -12.919 -4.196 1.619 H151 H3T 72 H3T H152 H23 H 0 0 N N N 50.969 22.309 30.941 -13.659 -2.630 1.208 H152 H3T 73 H3T H161 H24 H 0 0 N N N 53.032 21.286 29.418 -14.329 -3.528 -1.005 H161 H3T 74 H3T H162 H25 H 0 0 N N N 53.105 23.038 29.031 -13.589 -5.094 -0.593 H162 H3T 75 H3T H171 H26 H 0 0 N N N 53.453 23.616 31.334 -15.133 -5.318 1.334 H171 H3T 76 H3T H172 H27 H 0 0 N N N 53.104 21.938 31.872 -15.873 -3.752 0.922 H172 H3T 77 H3T H182 H28 H 0 0 N N N 55.293 21.525 31.833 -16.543 -4.650 -1.290 H182 H3T 78 H3T H181 H29 H 0 0 N N N 55.254 21.717 30.048 -15.802 -6.216 -0.879 H181 H3T 79 H3T H192 H30 H 0 0 N N N 56.105 23.684 32.182 -17.347 -6.440 1.048 H192 H3T 80 H3T H191 H31 H 0 0 N N N 55.547 24.265 30.577 -18.087 -4.874 0.637 H191 H3T 81 H3T H201 H32 H 0 0 N N N 58.004 24.104 30.668 -18.757 -5.772 -1.576 H201 H3T 82 H3T H202 H33 H 0 0 N N N 57.884 22.360 31.084 -18.017 -7.338 -1.164 H202 H3T 83 H3T H203 H34 H 0 0 N N N 57.325 22.942 29.478 -19.433 -6.757 -0.256 H203 H3T 84 H3T H212 H35 H 0 0 N N N 39.254 15.148 23.543 0.438 5.450 1.289 H212 H3T 85 H3T H211 H36 H 0 0 N N N 37.599 15.682 23.992 1.860 4.784 0.451 H211 H3T 86 H3T H272 H37 H 0 0 N N N 35.705 15.174 21.879 -1.518 3.957 -4.015 H272 H3T 87 H3T H271 H38 H 0 0 N N N 35.943 16.550 23.008 -2.833 4.650 -3.035 H271 H3T 88 H3T H281 H39 H 0 0 N N N 33.221 15.977 23.313 -2.523 1.681 -3.667 H281 H3T 89 H3T H301 H40 H 0 0 N N N 33.253 14.452 21.255 -4.471 3.728 -4.818 H301 H3T 90 H3T H302 H41 H 0 0 N N N 33.813 15.853 20.280 -3.043 3.099 -5.674 H302 H3T 91 H3T H351 H42 H 0 0 N N N 39.114 12.646 28.785 3.983 0.581 1.975 H351 H3T 92 H3T H352 H43 H 0 0 N N N 40.157 13.240 27.449 3.939 1.164 0.294 H352 H3T 93 H3T H361 H44 H 0 0 N N N 41.269 14.831 28.898 5.852 2.670 0.767 H361 H3T 94 H3T H362 H45 H 0 0 N N N 40.067 14.580 30.209 5.896 2.086 2.447 H362 H3T 95 H3T H371 H46 H 0 0 N N N 41.190 12.829 31.078 6.326 -0.218 1.636 H371 H3T 96 H3T H372 H47 H 0 0 N N N 41.548 12.126 29.464 6.282 0.366 -0.045 H372 H3T 97 H3T H382 H48 H 0 0 N N N 43.627 13.043 29.367 8.195 1.871 0.427 H382 H3T 98 H3T H381 H49 H 0 0 N N N 43.117 14.564 30.174 8.239 1.287 2.108 H381 H3T 99 H3T H392 H50 H 0 0 N N N 44.167 13.919 32.022 8.669 -1.016 1.297 H392 H3T 100 H3T H391 H51 H 0 0 N N N 43.047 12.521 32.157 8.625 -0.432 -0.384 H391 H3T 101 H3T H401 H52 H 0 0 N N N 44.606 11.011 31.408 10.538 1.073 0.088 H401 H3T 102 H3T H402 H53 H 0 0 N N N 45.402 12.197 30.319 10.582 0.489 1.769 H402 H3T 103 H3T H412 H54 H 0 0 N N N 45.759 11.886 33.328 11.012 -1.814 0.957 H412 H3T 104 H3T H411 H55 H 0 0 N N N 46.958 11.542 32.035 10.968 -1.230 -0.724 H411 H3T 105 H3T H421 H56 H 0 0 N N N 46.107 14.286 33.127 12.929 0.164 1.162 H421 H3T 106 H3T H431 H57 H 0 0 N N N 47.509 13.679 30.405 12.972 -0.805 -1.821 H431 H3T 107 H3T H432 H58 H 0 0 N N N 47.176 15.301 31.100 14.269 0.211 -0.992 H432 H3T 108 H3T H441 H59 H 0 0 N N N 48.502 14.773 33.147 14.645 -1.645 0.695 H441 H3T 109 H3T H451 H60 H 0 0 N N N 48.944 12.069 31.706 12.522 -3.407 0.547 H451 H3T 110 H3T H452 H61 H 0 0 N N N 49.471 12.409 33.390 12.664 -3.019 -1.184 H452 H3T 111 H3T H461 H62 H 0 0 N N N 50.795 14.369 32.258 15.052 -3.687 -1.138 H461 H3T 112 H3T H462 H63 H 0 0 N N N 50.591 13.376 30.775 14.910 -4.075 0.593 H462 H3T 113 H3T H471 H64 H 0 0 N N N 51.764 11.508 31.880 13.178 -5.771 0.072 H471 H3T 114 H3T H472 H65 H 0 0 N N N 51.991 12.527 33.342 13.320 -5.383 -1.660 H472 H3T 115 H3T H481 H66 H 0 0 N N N 53.507 13.961 32.270 15.707 -6.050 -1.614 H481 H3T 116 H3T H482 H67 H 0 0 N N N 52.959 13.477 30.630 15.566 -6.438 0.117 H482 H3T 117 H3T H492 H68 H 0 0 N N N 54.067 11.181 31.970 13.833 -8.134 -0.404 H492 H3T 118 H3T H491 H69 H 0 0 N N N 54.609 12.006 30.469 13.975 -7.747 -2.135 H491 H3T 119 H3T H501 H70 H 0 0 N N N 56.428 11.883 32.134 16.363 -8.414 -2.089 H501 H3T 120 H3T H502 H71 H 0 0 N N N 55.952 13.587 31.823 16.221 -8.802 -0.358 H502 H3T 121 H3T H503 H72 H 0 0 N N N 55.410 12.762 33.324 15.315 -9.752 -1.560 H503 H3T 122 H3T H1 H73 H 0 1 N N N 35.504 11.580 24.317 1.280 3.886 -2.532 H1 H3T 123 H3T H291 H74 H 0 0 N N N 34.342 17.987 22.972 -4.693 3.175 -2.447 H291 H3T 124 H3T H311 H75 H 0 0 N N N 31.526 15.623 20.291 -5.009 1.841 -6.180 H311 H3T 125 # # 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 H3T O31 C30 SING N N 1 H3T C30 C28 SING N N 2 H3T O29 C28 SING N N 3 H3T O25 P23 DOUB N N 4 H3T C28 C27 SING N N 5 H3T C27 O26 SING N N 6 H3T P23 O26 SING N N 7 H3T P23 O22 SING N N 8 H3T P23 O24 SING N N 9 H3T O22 C21 SING N N 10 H3T C21 C01 SING N N 11 H3T O05 C04 DOUB N N 12 H3T C04 O03 SING N N 13 H3T C04 C06 SING N N 14 H3T O03 C02 SING N N 15 H3T C01 C02 SING N N 16 H3T C01 O32 SING N N 17 H3T C06 C07 SING N N 18 H3T C07 C08 SING N N 19 H3T O32 C33 SING N N 20 H3T C09 C08 SING N N 21 H3T C09 C10 SING N N 22 H3T C33 C35 SING N N 23 H3T C33 O34 DOUB N N 24 H3T C35 C36 SING N N 25 H3T C11 C10 SING N N 26 H3T C11 C12 SING N N 27 H3T C14 C13 SING N N 28 H3T C14 C15 SING N N 29 H3T C13 C12 SING N N 30 H3T C36 C37 SING N N 31 H3T C16 C15 SING N N 32 H3T C16 C17 SING N N 33 H3T C37 C38 SING N N 34 H3T C38 C39 SING N N 35 H3T C20 C19 SING N N 36 H3T C18 C17 SING N N 37 H3T C18 C19 SING N N 38 H3T C40 C39 SING N N 39 H3T C40 C41 SING N N 40 H3T C43 C42 SING N N 41 H3T C43 C44 SING N N 42 H3T C49 C48 SING N N 43 H3T C49 C50 SING N N 44 H3T C48 C47 SING N N 45 H3T C46 C47 SING N N 46 H3T C46 C45 SING N N 47 H3T C41 C42 SING N N 48 H3T C45 C44 SING N N 49 H3T C42 C44 SING N N 50 H3T C10 H102 SING N N 51 H3T C10 H101 SING N N 52 H3T C11 H111 SING N N 53 H3T C11 H112 SING N N 54 H3T C12 H121 SING N N 55 H3T C12 H122 SING N N 56 H3T C01 H011 SING N N 57 H3T C02 H022 SING N N 58 H3T C02 H021 SING N N 59 H3T C06 H061 SING N N 60 H3T C06 H062 SING N N 61 H3T C07 H072 SING N N 62 H3T C07 H071 SING N N 63 H3T C08 H082 SING N N 64 H3T C08 H081 SING N N 65 H3T C09 H091 SING N N 66 H3T C09 H092 SING N N 67 H3T C13 H131 SING N N 68 H3T C13 H132 SING N N 69 H3T C14 H142 SING N N 70 H3T C14 H141 SING N N 71 H3T C15 H151 SING N N 72 H3T C15 H152 SING N N 73 H3T C16 H161 SING N N 74 H3T C16 H162 SING N N 75 H3T C17 H171 SING N N 76 H3T C17 H172 SING N N 77 H3T C18 H182 SING N N 78 H3T C18 H181 SING N N 79 H3T C19 H192 SING N N 80 H3T C19 H191 SING N N 81 H3T C20 H201 SING N N 82 H3T C20 H202 SING N N 83 H3T C20 H203 SING N N 84 H3T C21 H212 SING N N 85 H3T C21 H211 SING N N 86 H3T C27 H272 SING N N 87 H3T C27 H271 SING N N 88 H3T C28 H281 SING N N 89 H3T C30 H301 SING N N 90 H3T C30 H302 SING N N 91 H3T C35 H351 SING N N 92 H3T C35 H352 SING N N 93 H3T C36 H361 SING N N 94 H3T C36 H362 SING N N 95 H3T C37 H371 SING N N 96 H3T C37 H372 SING N N 97 H3T C38 H382 SING N N 98 H3T C38 H381 SING N N 99 H3T C39 H392 SING N N 100 H3T C39 H391 SING N N 101 H3T C40 H401 SING N N 102 H3T C40 H402 SING N N 103 H3T C41 H412 SING N N 104 H3T C41 H411 SING N N 105 H3T C42 H421 SING N N 106 H3T C43 H431 SING N N 107 H3T C43 H432 SING N N 108 H3T C44 H441 SING N N 109 H3T C45 H451 SING N N 110 H3T C45 H452 SING N N 111 H3T C46 H461 SING N N 112 H3T C46 H462 SING N N 113 H3T C47 H471 SING N N 114 H3T C47 H472 SING N N 115 H3T C48 H481 SING N N 116 H3T C48 H482 SING N N 117 H3T C49 H492 SING N N 118 H3T C49 H491 SING N N 119 H3T C50 H501 SING N N 120 H3T C50 H502 SING N N 121 H3T C50 H503 SING N N 122 H3T O24 H1 SING N N 123 H3T O29 H291 SING N N 124 H3T O31 H311 SING N N 125 # # 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 H3T InChI InChI 1.03 "InChI=1S/C39H75O10P/c1-3-5-7-9-10-11-12-13-14-15-16-19-23-27-38(42)46-32-37(33-48-50(44,45)47-31-36(41)30-40)49-39(43)28-24-20-17-18-22-26-35-29-34(35)25-21-8-6-4-2/h34-37,40-41H,3-33H2,1-2H3,(H,44,45)/t34-,35+,36-,37+/m0/s1" H3T InChIKey InChI 1.03 JWIOKCJPLNKYBQ-TWHRXLCVSA-N H3T SMILES_CANONICAL CACTVS 3.385 "CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P](O)(=O)OC[C@@H](O)CO)OC(=O)CCCCCCC[C@@H]1C[C@@H]1CCCCCC" H3T SMILES CACTVS 3.385 "CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OC[CH](O)CO)OC(=O)CCCCCCC[CH]1C[CH]1CCCCCC" H3T SMILES_CANONICAL "OpenEye OEToolkits" 2.0.6 "CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCC[C@@H]1C[C@@H]1CCCCCC" H3T SMILES "OpenEye OEToolkits" 2.0.6 "CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(CO)O)OC(=O)CCCCCCCC1CC1CCCCCC" # _pdbx_chem_comp_identifier.comp_id H3T _pdbx_chem_comp_identifier.type "SYSTEMATIC NAME" _pdbx_chem_comp_identifier.program "OpenEye OEToolkits" _pdbx_chem_comp_identifier.program_version 2.0.6 _pdbx_chem_comp_identifier.identifier "[(2~{R})-3-[[(2~{S})-2,3-bis(oxidanyl)propoxy]-oxidanyl-phosphoryl]oxy-2-[8-[(1~{R},2~{S})-2-hexylcyclopropyl]octanoyloxy]propyl] hexadecanoate" # # loop_ _pdbx_chem_comp_audit.comp_id _pdbx_chem_comp_audit.action_type _pdbx_chem_comp_audit.date _pdbx_chem_comp_audit.processing_site H3T "Create component" 2018-11-14 EBI H3T "Modify name" 2018-11-19 EBI H3T "Initial release" 2019-10-23 RCSB ##