data_PH1 # _chem_comp.id PH1 _chem_comp.name "1,2-[DI-2,6,10,14-TETRAMETHYL-HEXADECAN-16-OXY]-PROPANE" _chem_comp.type NON-POLYMER _chem_comp.pdbx_type HETAIN _chem_comp.formula "C43 H88 O2" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms "PHYTANYL MOIETY" _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 1999-07-08 _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 637.158 _chem_comp.one_letter_code ? _chem_comp.three_letter_code PH1 _chem_comp.pdbx_model_coordinates_details ? _chem_comp.pdbx_model_coordinates_missing_flag N _chem_comp.pdbx_ideal_coordinates_details ? _chem_comp.pdbx_ideal_coordinates_missing_flag N _chem_comp.pdbx_model_coordinates_db_code 1QHJ _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 PH1 O1 O1 O 0 1 N N N 0.937 62.223 -7.394 -4.679 -0.162 1.226 O1 PH1 1 PH1 C1 C1 C 0 1 N N N -0.120 62.101 -6.674 -4.661 0.137 2.623 C1 PH1 2 PH1 C2 C2 C 0 1 N N N -0.083 61.552 -5.230 -3.281 -0.189 3.197 C2 PH1 3 PH1 C3 C3 C 0 1 N N S 0.614 62.418 -4.212 -3.262 0.131 4.693 C3 PH1 4 PH1 C4 C4 C 0 1 N N N 0.146 63.896 -4.182 -4.324 -0.705 5.408 C4 PH1 5 PH1 C5 C5 C 0 1 N N N 0.694 61.783 -2.837 -1.882 -0.195 5.267 C5 PH1 6 PH1 C6 C6 C 0 1 N N N 1.722 62.450 -1.897 -1.863 0.125 6.763 C6 PH1 7 PH1 C7 C7 C 0 1 N N N 1.154 63.009 -0.577 -0.483 -0.201 7.337 C7 PH1 8 PH1 C8 C8 C 0 1 N N S 1.358 62.140 0.676 -0.464 0.119 8.833 C8 PH1 9 PH1 C9 C9 C 0 1 N N N 1.653 60.647 0.416 -1.526 -0.717 9.548 C9 PH1 10 PH1 C10 C10 C 0 1 N N N 2.183 62.814 1.776 0.915 -0.207 9.407 C10 PH1 11 PH1 C11 C11 C 0 1 N N N 2.379 62.007 3.050 0.935 0.113 10.902 C11 PH1 12 PH1 C12 C12 C 0 1 N N N 3.859 61.754 3.364 2.314 -0.213 11.477 C12 PH1 13 PH1 C13 C13 C 0 1 N N S 4.468 60.499 2.706 2.334 0.107 12.972 C13 PH1 14 PH1 C14 C14 C 0 1 N N N 5.973 60.523 2.595 1.272 -0.730 13.688 C14 PH1 15 PH1 C15 C15 C 0 1 N N N 3.949 59.209 3.253 3.714 -0.220 13.547 C15 PH1 16 PH1 C16 C16 C 0 1 N N N 4.451 58.861 4.652 3.733 0.101 15.042 C16 PH1 17 PH1 C17 C17 C 0 1 N N N 3.667 57.748 5.272 5.113 -0.226 15.617 C17 PH1 18 PH1 C18 C18 C 0 1 N N N 4.384 56.435 5.411 5.132 0.095 17.112 C18 PH1 19 PH1 C19 C19 C 0 1 N N N 3.438 55.339 5.743 6.512 -0.232 17.686 C19 PH1 20 PH1 C20 C20 C 0 1 N N N 5.295 56.063 4.252 4.834 1.581 17.318 C20 PH1 21 PH1 O31 O31 O 0 1 N N N 0.447 62.699 -11.003 -5.105 0.646 -1.446 O31 PH1 22 PH1 C31 C31 C 0 1 N N N 1.490 63.054 -11.717 -4.722 -0.105 -2.600 C31 PH1 23 PH1 C32 C32 C 0 1 N N N 1.997 62.242 -12.930 -3.679 0.680 -3.398 C32 PH1 24 PH1 C33 C33 C 0 1 N N S 2.694 60.920 -12.584 -3.269 -0.123 -4.633 C33 PH1 25 PH1 C34 C34 C 0 1 N N N 2.728 59.935 -13.766 -4.498 -0.375 -5.509 C34 PH1 26 PH1 C35 C35 C 0 1 N N N 4.046 61.066 -11.838 -2.227 0.662 -5.431 C35 PH1 27 PH1 C36 C36 C 0 1 N N N 4.357 59.959 -10.808 -1.817 -0.142 -6.666 C36 PH1 28 PH1 C37 C37 C 0 1 N N N 4.377 60.462 -9.338 -0.775 0.643 -7.463 C37 PH1 29 PH1 C38 C38 C 0 1 N N S 4.510 59.399 -8.240 -0.365 -0.160 -8.699 C38 PH1 30 PH1 C39 C39 C 0 1 N N N 5.730 58.483 -8.426 -1.594 -0.412 -9.574 C39 PH1 31 PH1 C40 C40 C 0 1 N N N 4.411 59.993 -6.817 0.677 0.625 -9.496 C40 PH1 32 PH1 C41 C41 C 0 1 N N N 4.238 58.983 -5.689 1.087 -0.179 -10.731 C41 PH1 33 PH1 C42 C42 C 0 1 N N N 5.098 59.258 -4.439 2.129 0.607 -11.529 C42 PH1 34 PH1 C43 C43 C 0 1 N N S 4.337 59.527 -3.120 2.539 -0.197 -12.764 C43 PH1 35 PH1 C44 C44 C 0 1 N N N 3.138 58.630 -2.887 1.310 -0.449 -13.640 C44 PH1 36 PH1 C45 C45 C 0 1 N N N 5.241 59.658 -1.859 3.582 0.588 -13.562 C45 PH1 37 PH1 C46 C46 C 0 1 N N N 6.416 58.655 -1.756 3.992 -0.215 -14.797 C46 PH1 38 PH1 C47 C47 C 0 1 N N N 6.762 58.198 -0.314 5.034 0.570 -15.595 C47 PH1 39 PH1 C48 C48 C 0 1 N N N 8.260 58.157 0.068 5.444 -0.234 -16.830 C48 PH1 40 PH1 C49 C49 C 0 1 N N N 8.517 57.721 1.513 6.486 0.551 -17.628 C49 PH1 41 PH1 C50 C50 C 0 1 N N N 9.143 57.421 -0.919 6.041 -1.573 -16.392 C50 PH1 42 PH1 C51 C51 C 0 1 N N N 0.950 62.026 -8.678 -5.987 0.163 0.750 C51 PH1 43 PH1 C52 C52 C 0 1 N N R 0.354 63.014 -9.749 -6.074 -0.136 -0.747 C52 PH1 44 PH1 C53 C53 C 0 1 N N N 0.466 64.507 -9.359 -7.474 0.211 -1.256 C53 PH1 45 PH1 H11 1H1 H 0 1 N N N -0.622 63.095 -6.643 -5.418 -0.458 3.132 H11 PH1 46 PH1 H12 2H1 H 0 1 N N N -0.850 61.485 -7.249 -4.874 1.196 2.770 H12 PH1 47 PH1 H21 1H2 H 0 1 N N N -1.118 61.321 -4.885 -2.525 0.407 2.687 H21 PH1 48 PH1 H22 2H2 H 0 1 N N N 0.361 60.529 -5.225 -3.069 -1.248 3.050 H22 PH1 49 PH1 H3 H3 H 0 1 N N N 1.664 62.477 -4.581 -3.475 1.190 4.840 H3 PH1 50 PH1 H41 1H4 H 0 1 N N N 0.661 64.536 -3.429 -4.111 -1.764 5.261 H41 PH1 51 PH1 H42 2H4 H 0 1 N N N 0.232 64.348 -5.197 -4.310 -0.476 6.474 H42 PH1 52 PH1 H43A 3H4 H 0 0 N N N -0.958 63.947 -4.040 -5.307 -0.472 4.999 H43A PH1 53 PH1 H51 1H5 H 0 1 N N N -0.313 61.754 -2.359 -1.126 0.400 4.757 H51 PH1 54 PH1 H52A 2H5 H 0 0 N N N 0.892 60.689 -2.921 -1.670 -1.254 5.120 H52A PH1 55 PH1 H61 1H6 H 0 1 N N N 2.557 61.743 -1.683 -2.619 -0.471 7.272 H61 PH1 56 PH1 H62 2H6 H 0 1 N N N 2.274 63.250 -2.443 -2.076 1.184 6.909 H62 PH1 57 PH1 H71 1H7 H 0 1 N N N 1.560 64.031 -0.395 0.273 0.394 6.827 H71 PH1 58 PH1 H72 2H7 H 0 1 N N N 0.070 63.240 -0.701 -0.270 -1.260 7.190 H72 PH1 59 PH1 H8 H8 H 0 1 N N N 0.340 62.075 1.126 -0.676 1.178 8.979 H8 PH1 60 PH1 H91 1H9 H 0 1 N N N 1.800 60.017 1.324 -1.313 -1.776 9.401 H91 PH1 61 PH1 H92 2H9 H 0 1 N N N 0.853 60.207 -0.225 -1.512 -0.488 10.613 H92 PH1 62 PH1 H93 3H9 H 0 1 N N N 2.531 60.545 -0.263 -2.509 -0.484 9.139 H93 PH1 63 PH1 H101 1H10 H 0 0 N N N 3.173 63.126 1.369 1.672 0.388 8.897 H101 PH1 64 PH1 H102 2H10 H 0 0 N N N 1.744 63.809 2.021 1.128 -1.266 9.260 H102 PH1 65 PH1 H111 1H11 H 0 0 N N N 1.862 62.488 3.913 0.178 -0.483 11.412 H111 PH1 66 PH1 H112 2H11 H 0 0 N N N 1.808 61.050 3.010 0.722 1.172 11.049 H112 PH1 67 PH1 H121 1H12 H 0 0 N N N 4.464 62.653 3.105 3.071 0.382 10.967 H121 PH1 68 PH1 H122 2H12 H 0 0 N N N 4.016 61.722 4.467 2.527 -1.272 11.330 H122 PH1 69 PH1 H13 H13 H 0 1 N N N 4.095 60.548 1.656 2.121 1.166 13.119 H13 PH1 70 PH1 H141 1H14 H 0 0 N N N 6.413 59.615 2.119 1.485 -1.788 13.541 H141 PH1 71 PH1 H142 2H14 H 0 0 N N N 6.309 61.443 2.063 1.286 -0.501 14.753 H142 PH1 72 PH1 H143 3H14 H 0 0 N N N 6.434 60.701 3.594 0.289 -0.496 13.279 H143 PH1 73 PH1 H151 1H15 H 0 0 N N N 2.834 59.199 3.228 4.470 0.376 13.037 H151 PH1 74 PH1 H152 2H15 H 0 0 N N N 4.164 58.374 2.545 3.926 -1.278 13.400 H152 PH1 75 PH1 H161 1H16 H 0 0 N N N 5.541 58.630 4.643 2.976 -0.495 15.552 H161 PH1 76 PH1 H162 2H16 H 0 0 N N N 4.465 59.760 5.310 3.520 1.160 15.189 H162 PH1 77 PH1 H171 1H17 H 0 0 N N N 3.271 58.070 6.263 5.869 0.370 15.107 H171 PH1 78 PH1 H172 2H17 H 0 0 N N N 2.712 57.600 4.714 5.326 -1.285 15.470 H172 PH1 79 PH1 H18 H18 H 0 1 N N N 5.082 56.582 6.267 4.376 -0.501 17.622 H18 PH1 80 PH1 H191 1H19 H 0 0 N N N 3.970 54.364 5.846 6.526 -0.003 18.752 H191 PH1 81 PH1 H192 2H19 H 0 0 N N N 2.838 55.576 6.652 6.725 -1.291 17.540 H192 PH1 82 PH1 H193 3H19 H 0 0 N N N 2.607 55.276 5.002 7.269 0.364 17.177 H193 PH1 83 PH1 H201 1H20 H 0 0 N N N 5.827 55.088 4.355 5.590 2.178 16.809 H201 PH1 84 PH1 H202 2H20 H 0 0 N N N 4.724 56.087 3.294 3.851 1.815 16.909 H202 PH1 85 PH1 H203 3H20 H 0 0 N N N 6.028 56.881 4.064 4.847 1.810 18.384 H203 PH1 86 PH1 H311 1H31 H 0 0 N N N 1.315 64.098 -12.064 -4.297 -1.059 -2.288 H311 PH1 87 PH1 H312 2H31 H 0 0 N N N 2.348 63.175 -11.015 -5.597 -0.284 -3.224 H312 PH1 88 PH1 H321 1H32 H 0 0 N N N 1.162 62.059 -13.646 -4.104 1.634 -3.710 H321 PH1 89 PH1 H322 2H32 H 0 0 N N N 2.663 62.873 -13.563 -2.804 0.860 -2.774 H322 PH1 90 PH1 H33 H33 H 0 1 N N N 2.036 60.447 -11.817 -2.844 -1.077 -4.320 H33 PH1 91 PH1 H341 1H34 H 0 0 N N N 3.234 58.974 -13.514 -4.923 0.578 -5.821 H341 PH1 92 PH1 H342 2H34 H 0 0 N N N 1.702 59.753 -14.163 -4.206 -0.948 -6.388 H342 PH1 93 PH1 H343 3H34 H 0 0 N N N 3.189 60.406 -14.664 -5.241 -0.935 -4.940 H343 PH1 94 PH1 H351 1H35 H 0 0 N N N 4.880 61.150 -12.572 -2.652 1.616 -5.743 H351 PH1 95 PH1 H352 2H35 H 0 0 N N N 4.108 62.068 -11.352 -1.351 0.841 -4.807 H352 PH1 96 PH1 H361 1H36 H 0 0 N N N 3.649 59.105 -10.922 -1.392 -1.096 -6.353 H361 PH1 97 PH1 H362 2H36 H 0 0 N N N 5.313 59.443 -11.060 -2.692 -0.321 -7.290 H362 PH1 98 PH1 H371 1H37 H 0 0 N N N 5.181 61.224 -9.216 -1.200 1.597 -7.776 H371 PH1 99 PH1 H372 2H37 H 0 0 N N N 3.472 61.084 -9.145 0.100 0.823 -6.839 H372 PH1 100 PH1 H38 H38 H 0 1 N N N 3.622 58.734 -8.356 0.060 -1.114 -8.386 H38 PH1 101 PH1 H391 1H39 H 0 0 N N N 5.826 57.710 -7.627 -2.019 0.541 -9.887 H391 PH1 102 PH1 H392 2H39 H 0 0 N N N 5.720 58.010 -9.435 -1.301 -0.985 -10.454 H392 PH1 103 PH1 H393 3H39 H 0 0 N N N 6.666 59.082 -8.512 -2.336 -0.972 -9.006 H393 PH1 104 PH1 H401 1H40 H 0 0 N N N 5.294 60.642 -6.613 0.252 1.579 -9.809 H401 PH1 105 PH1 H402 2H40 H 0 0 N N N 3.594 60.750 -6.777 1.553 0.804 -8.872 H402 PH1 106 PH1 H411 1H41 H 0 0 N N N 3.162 58.898 -5.407 1.512 -1.132 -10.419 H411 PH1 107 PH1 H412 2H41 H 0 0 N N N 4.421 57.949 -6.064 0.211 -0.358 -11.355 H412 PH1 108 PH1 H421 1H42 H 0 0 N N N 5.820 58.422 -4.290 1.704 1.560 -11.842 H421 PH1 109 PH1 H422 2H42 H 0 0 N N N 5.799 60.099 -4.644 3.005 0.786 -10.905 H422 PH1 110 PH1 H43 H43 H 0 1 N N N 3.916 60.546 -3.285 2.964 -1.151 -12.452 H43 PH1 111 PH1 H441 1H44 H 0 0 N N N 2.589 58.824 -1.935 0.885 0.504 -13.952 H441 PH1 112 PH1 H442 2H44 H 0 0 N N N 2.439 58.684 -3.754 1.602 -1.022 -14.520 H442 PH1 113 PH1 H443 3H44 H 0 0 N N N 3.438 57.558 -2.948 0.568 -1.009 -13.072 H443 PH1 114 PH1 H451 1H45 H 0 0 N N N 5.626 60.701 -1.777 3.157 1.542 -13.874 H451 PH1 115 PH1 H452 2H45 H 0 0 N N N 4.615 59.602 -0.938 4.457 0.767 -12.938 H452 PH1 116 PH1 H461 1H46 H 0 0 N N N 6.224 57.769 -2.405 4.417 -1.169 -14.485 H461 PH1 117 PH1 H462 2H46 H 0 0 N N N 7.321 59.070 -2.256 3.116 -0.395 -15.421 H462 PH1 118 PH1 H471 1H47 H 0 0 N N N 6.208 58.829 0.419 4.609 1.524 -15.907 H471 PH1 119 PH1 H472 2H47 H 0 0 N N N 6.300 57.201 -0.118 5.910 0.749 -14.971 H472 PH1 120 PH1 H48 H48 H 0 1 N N N 8.573 59.225 0.002 4.569 -0.413 -17.454 H48 PH1 121 PH1 H491 1H49 H 0 0 N N N 9.597 57.691 1.788 6.779 -0.021 -18.508 H491 PH1 122 PH1 H492 2H49 H 0 0 N N N 7.947 58.363 2.224 6.061 1.505 -17.940 H492 PH1 123 PH1 H493 3H49 H 0 0 N N N 8.032 56.738 1.719 7.362 0.731 -17.004 H493 PH1 124 PH1 H501 1H50 H 0 0 N N N 10.223 57.391 -0.643 6.916 -1.393 -15.768 H501 PH1 125 PH1 H502 2H50 H 0 0 N N N 8.757 56.388 -1.088 5.298 -2.133 -15.823 H502 PH1 126 PH1 H503 3H50 H 0 0 N N N 9.015 57.843 -1.942 6.333 -2.146 -17.272 H503 PH1 127 PH1 H511 1H51 H 0 0 N N N 2.012 61.845 -8.964 -6.727 -0.433 1.284 H511 PH1 128 PH1 H512 2H51 H 0 0 N N N 0.472 61.034 -8.855 -6.183 1.221 0.921 H512 PH1 129 PH1 H52 H52 H 0 1 N N N -0.740 62.816 -9.675 -5.878 -1.195 -0.918 H52 PH1 130 PH1 H531 1H53 H 0 0 N N N 0.386 64.777 -8.280 -7.670 1.270 -1.085 H531 PH1 131 PH1 H532 2H53 H 0 0 N N N 1.417 64.919 -9.768 -7.536 -0.001 -2.323 H532 PH1 132 PH1 H533 3H53 H 0 0 N N N -0.286 65.091 -9.937 -8.214 -0.385 -0.722 H533 PH1 133 # # 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 PH1 O1 C1 SING N N 1 PH1 O1 C51 SING N N 2 PH1 C1 C2 SING N N 3 PH1 C1 H11 SING N N 4 PH1 C1 H12 SING N N 5 PH1 C2 C3 SING N N 6 PH1 C2 H21 SING N N 7 PH1 C2 H22 SING N N 8 PH1 C3 C4 SING N N 9 PH1 C3 C5 SING N N 10 PH1 C3 H3 SING N N 11 PH1 C4 H41 SING N N 12 PH1 C4 H42 SING N N 13 PH1 C4 H43A SING N N 14 PH1 C5 C6 SING N N 15 PH1 C5 H51 SING N N 16 PH1 C5 H52A SING N N 17 PH1 C6 C7 SING N N 18 PH1 C6 H61 SING N N 19 PH1 C6 H62 SING N N 20 PH1 C7 C8 SING N N 21 PH1 C7 H71 SING N N 22 PH1 C7 H72 SING N N 23 PH1 C8 C9 SING N N 24 PH1 C8 C10 SING N N 25 PH1 C8 H8 SING N N 26 PH1 C9 H91 SING N N 27 PH1 C9 H92 SING N N 28 PH1 C9 H93 SING N N 29 PH1 C10 C11 SING N N 30 PH1 C10 H101 SING N N 31 PH1 C10 H102 SING N N 32 PH1 C11 C12 SING N N 33 PH1 C11 H111 SING N N 34 PH1 C11 H112 SING N N 35 PH1 C12 C13 SING N N 36 PH1 C12 H121 SING N N 37 PH1 C12 H122 SING N N 38 PH1 C13 C14 SING N N 39 PH1 C13 C15 SING N N 40 PH1 C13 H13 SING N N 41 PH1 C14 H141 SING N N 42 PH1 C14 H142 SING N N 43 PH1 C14 H143 SING N N 44 PH1 C15 C16 SING N N 45 PH1 C15 H151 SING N N 46 PH1 C15 H152 SING N N 47 PH1 C16 C17 SING N N 48 PH1 C16 H161 SING N N 49 PH1 C16 H162 SING N N 50 PH1 C17 C18 SING N N 51 PH1 C17 H171 SING N N 52 PH1 C17 H172 SING N N 53 PH1 C18 C19 SING N N 54 PH1 C18 C20 SING N N 55 PH1 C18 H18 SING N N 56 PH1 C19 H191 SING N N 57 PH1 C19 H192 SING N N 58 PH1 C19 H193 SING N N 59 PH1 C20 H201 SING N N 60 PH1 C20 H202 SING N N 61 PH1 C20 H203 SING N N 62 PH1 O31 C31 SING N N 63 PH1 O31 C52 SING N N 64 PH1 C31 C32 SING N N 65 PH1 C31 H311 SING N N 66 PH1 C31 H312 SING N N 67 PH1 C32 C33 SING N N 68 PH1 C32 H321 SING N N 69 PH1 C32 H322 SING N N 70 PH1 C33 C34 SING N N 71 PH1 C33 C35 SING N N 72 PH1 C33 H33 SING N N 73 PH1 C34 H341 SING N N 74 PH1 C34 H342 SING N N 75 PH1 C34 H343 SING N N 76 PH1 C35 C36 SING N N 77 PH1 C35 H351 SING N N 78 PH1 C35 H352 SING N N 79 PH1 C36 C37 SING N N 80 PH1 C36 H361 SING N N 81 PH1 C36 H362 SING N N 82 PH1 C37 C38 SING N N 83 PH1 C37 H371 SING N N 84 PH1 C37 H372 SING N N 85 PH1 C38 C39 SING N N 86 PH1 C38 C40 SING N N 87 PH1 C38 H38 SING N N 88 PH1 C39 H391 SING N N 89 PH1 C39 H392 SING N N 90 PH1 C39 H393 SING N N 91 PH1 C40 C41 SING N N 92 PH1 C40 H401 SING N N 93 PH1 C40 H402 SING N N 94 PH1 C41 C42 SING N N 95 PH1 C41 H411 SING N N 96 PH1 C41 H412 SING N N 97 PH1 C42 C43 SING N N 98 PH1 C42 H421 SING N N 99 PH1 C42 H422 SING N N 100 PH1 C43 C44 SING N N 101 PH1 C43 C45 SING N N 102 PH1 C43 H43 SING N N 103 PH1 C44 H441 SING N N 104 PH1 C44 H442 SING N N 105 PH1 C44 H443 SING N N 106 PH1 C45 C46 SING N N 107 PH1 C45 H451 SING N N 108 PH1 C45 H452 SING N N 109 PH1 C46 C47 SING N N 110 PH1 C46 H461 SING N N 111 PH1 C46 H462 SING N N 112 PH1 C47 C48 SING N N 113 PH1 C47 H471 SING N N 114 PH1 C47 H472 SING N N 115 PH1 C48 C49 SING N N 116 PH1 C48 C50 SING N N 117 PH1 C48 H48 SING N N 118 PH1 C49 H491 SING N N 119 PH1 C49 H492 SING N N 120 PH1 C49 H493 SING N N 121 PH1 C50 H501 SING N N 122 PH1 C50 H502 SING N N 123 PH1 C50 H503 SING N N 124 PH1 C51 C52 SING N N 125 PH1 C51 H511 SING N N 126 PH1 C51 H512 SING N N 127 PH1 C52 C53 SING N N 128 PH1 C52 H52 SING N N 129 PH1 C53 H531 SING N N 130 PH1 C53 H532 SING N N 131 PH1 C53 H533 SING N N 132 # # 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 PH1 SMILES ACDLabs 10.04 "O(CCC(C)CCCC(C)CCCC(C)CCCC(C)C)CC(OCCC(CCCC(CCCC(C)CCCC(C)C)C)C)C" PH1 SMILES_CANONICAL CACTVS 3.341 "CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCOC[C@@H](C)OCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C" PH1 SMILES CACTVS 3.341 "CC(C)CCC[CH](C)CCC[CH](C)CCC[CH](C)CCOC[CH](C)OCC[CH](C)CCC[CH](C)CCC[CH](C)CCCC(C)C" PH1 SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 "CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCOC[C@@H](C)OCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C" PH1 SMILES "OpenEye OEToolkits" 1.5.0 "CC(C)CCCC(C)CCCC(C)CCCC(C)CCOCC(C)OCCC(C)CCCC(C)CCCC(C)CCCC(C)C" PH1 InChI InChI 1.03 "InChI=1S/C43H88O2/c1-35(2)18-12-20-37(5)22-14-24-39(7)26-16-28-41(9)30-32-44-34-43(11)45-33-31-42(10)29-17-27-40(8)25-15-23-38(6)21-13-19-36(3)4/h35-43H,12-34H2,1-11H3/t37-,38-,39-,40-,41-,42-,43+/m0/s1" PH1 InChIKey InChI 1.03 ICKFQWWHLUUVMF-FYYCEQFTSA-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 PH1 "SYSTEMATIC NAME" ACDLabs 10.04 "(3S,7S,11S,3'S,7'S,11'S)-1,1'-[(2R)-propane-1,2-diylbis(oxy)]bis(3,7,11,15-tetramethylhexadecane)" PH1 "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 "(3S,7S,11S)-3,7,11,15-tetramethyl-1-[(2R)-2-[(3S,7S,11S)-3,7,11,15-tetramethylhexadecoxy]propoxy]hexadecane" # # loop_ _pdbx_chem_comp_audit.comp_id _pdbx_chem_comp_audit.action_type _pdbx_chem_comp_audit.date _pdbx_chem_comp_audit.processing_site PH1 "Create component" 1999-07-08 RCSB PH1 "Modify descriptor" 2011-06-04 RCSB PH1 "Modify synonyms" 2021-03-01 PDBE # _pdbx_chem_comp_synonyms.ordinal 1 _pdbx_chem_comp_synonyms.comp_id PH1 _pdbx_chem_comp_synonyms.name "PHYTANYL MOIETY" _pdbx_chem_comp_synonyms.provenance ? _pdbx_chem_comp_synonyms.type ? ##