data_UQ7 # _chem_comp.id UQ7 _chem_comp.name UBIQUINONE-7 _chem_comp.type NON-POLYMER _chem_comp.pdbx_type HETAIN _chem_comp.formula "C44 H66 O4" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms ? _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 2005-03-15 _chem_comp.pdbx_modified_date 2011-06-04 _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 658.992 _chem_comp.one_letter_code ? _chem_comp.three_letter_code UQ7 _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 1VRN _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 UQ7 C1 C1 C 0 1 N N N 40.227 -20.317 3.704 -0.362 0.500 -10.696 C1 UQ7 1 UQ7 C2 C2 C 0 1 N N N 38.798 -20.513 3.452 0.915 0.971 -11.263 C2 UQ7 2 UQ7 C3 C3 C 0 1 N N N 38.291 -20.341 2.197 1.916 0.090 -11.494 C3 UQ7 3 UQ7 C4 C4 C 0 1 N N N 39.171 -19.972 1.097 1.723 -1.338 -11.183 C4 UQ7 4 UQ7 C5 C5 C 0 1 N N N 40.596 -19.779 1.340 0.442 -1.804 -10.608 C5 UQ7 5 UQ7 C6 C6 C 0 1 N N N 41.122 -19.944 2.606 -0.547 -0.932 -10.380 C6 UQ7 6 UQ7 CM2 CM2 C 0 1 N N N 38.098 -22.268 4.860 0.216 2.584 -12.648 CM2 UQ7 7 UQ7 CM3 CM3 C 0 1 N N N 36.487 -21.430 1.004 4.078 0.371 -10.992 CM3 UQ7 8 UQ7 CM5 CM5 C 0 1 N N N 41.432 -19.403 0.124 0.249 -3.263 -10.285 CM5 UQ7 9 UQ7 C7 C7 C 0 1 N N N 42.627 -19.772 2.854 -1.852 -1.412 -9.800 C7 UQ7 10 UQ7 C8 C8 C 0 1 N N N 43.005 -18.475 3.373 -1.787 -1.348 -8.296 C8 UQ7 11 UQ7 C9 C9 C 0 1 N N N 43.991 -18.120 4.289 -2.721 -0.720 -7.626 C9 UQ7 12 UQ7 C10 C10 C 0 1 N N N 44.914 -19.117 5.016 -3.943 -0.203 -8.341 C10 UQ7 13 UQ7 C11 C11 C 0 1 N N N 44.268 -16.657 4.665 -2.574 -0.513 -6.140 C11 UQ7 14 UQ7 C12 C12 C 0 1 N N N 45.135 -16.133 3.527 -1.853 0.810 -5.879 C12 UQ7 15 UQ7 C13 C13 C 0 1 N N N 45.469 -14.731 3.566 -1.706 1.016 -4.393 C13 UQ7 16 UQ7 C14 C14 C 0 1 N N N 45.920 -13.940 2.511 -0.528 1.275 -3.881 C14 UQ7 17 UQ7 C15 C15 C 0 1 N N N 46.120 -14.496 1.084 0.648 1.529 -4.789 C15 UQ7 18 UQ7 C16 C16 C 0 1 N N N 46.262 -12.443 2.613 -0.349 1.320 -2.386 C16 UQ7 19 UQ7 O1 O1 O 0 1 N N N 40.680 -20.460 4.832 -1.262 1.288 -10.488 O1 UQ7 20 UQ7 O2 O2 O 0 1 N N N 38.050 -20.930 4.479 1.086 2.286 -11.554 O2 UQ7 21 UQ7 O3 O3 O 0 1 N N N 36.978 -20.475 1.878 3.093 0.520 -12.016 O3 UQ7 22 UQ7 O4 O4 O 0 1 N N N 38.727 -19.848 -0.012 2.620 -2.131 -11.389 O4 UQ7 23 UQ7 C17 C17 C 0 1 N N N 47.123 -12.058 3.808 0.018 -0.074 -1.874 C17 UQ7 24 UQ7 C18 C18 C 0 1 N N N 47.612 -10.708 3.664 0.196 -0.029 -0.379 C18 UQ7 25 UQ7 C19 C19 C 0 1 N N N 47.190 -9.467 4.129 -0.463 -0.865 0.384 C19 UQ7 26 UQ7 C20 C20 C 0 1 N N N 45.981 -9.236 5.053 -1.485 -1.792 -0.220 C20 UQ7 27 UQ7 C21 C21 C 0 1 N N N 47.942 -8.176 3.784 -0.200 -0.898 1.867 C21 UQ7 28 UQ7 C22 C22 C 0 1 N N N 48.114 -7.952 2.286 -1.135 0.085 2.573 C22 UQ7 29 UQ7 C23 C23 C 0 1 N N N 49.506 -7.687 1.969 -0.872 0.052 4.057 C23 UQ7 30 UQ7 C24 C24 C 0 1 N N N 50.142 -7.374 0.772 -0.437 1.125 4.669 C24 UQ7 31 UQ7 C25 C25 C 0 1 N N N 49.438 -7.241 -0.583 -0.038 2.339 3.870 C25 UQ7 32 UQ7 C26 C26 C 0 1 N N N 51.653 -7.124 0.636 -0.335 1.145 6.173 C26 UQ7 33 UQ7 C27 C27 C 0 1 N N N 52.327 -6.111 1.560 1.050 0.653 6.596 C27 UQ7 34 UQ7 C28 C28 C 0 1 N N N 51.941 -4.697 1.452 1.152 0.673 8.100 C28 UQ7 35 UQ7 C29 C29 C 0 1 N N N 51.123 -3.939 2.284 1.538 -0.399 8.745 C29 UQ7 36 UQ7 C30 C30 C 0 1 N N N 50.442 -4.526 3.542 2.044 -1.596 7.981 C30 UQ7 37 UQ7 C31 C31 C 0 1 N N N 50.843 -2.452 2.018 1.475 -0.437 10.250 C31 UQ7 38 UQ7 C32 C32 C 0 1 N N N 50.059 -1.745 3.117 0.112 -0.973 10.691 C32 UQ7 39 UQ7 C33 C33 C 0 1 N N N 49.978 -0.298 2.997 0.050 -1.011 12.196 C33 UQ7 40 UQ7 C34 C34 C 0 1 N N N 50.986 0.656 2.889 -0.891 -0.356 12.829 C34 UQ7 41 UQ7 C35 C35 C 0 1 N N N 52.492 0.323 2.851 -1.804 0.571 12.070 C35 UQ7 42 UQ7 C36 C36 C 0 1 N N N 50.714 2.164 2.803 -1.060 -0.530 14.316 C36 UQ7 43 UQ7 C37 C37 C 0 1 N N N 50.019 2.750 1.580 -0.203 0.500 15.052 C37 UQ7 44 UQ7 C38 C38 C 0 1 N N N 49.792 4.156 1.883 -0.372 0.326 16.539 C38 UQ7 45 UQ7 C39 C39 C 0 1 N N N 48.876 4.754 2.747 0.671 0.093 17.295 C39 UQ7 46 UQ7 C40 C40 C 0 1 N N N 47.820 3.979 3.552 0.531 0.091 18.795 C40 UQ7 47 UQ7 C41 C41 C 0 1 N N N 48.761 6.265 3.001 2.014 -0.171 16.663 C41 UQ7 48 UQ7 HM21 1HM2 H 0 0 N N N 39.160 -22.545 5.057 0.271 3.648 -12.877 HM21 UQ7 49 UQ7 HM22 2HM2 H 0 0 N N N 37.474 -22.616 5.716 0.521 2.008 -13.522 HM22 UQ7 50 UQ7 HM23 3HM2 H 0 0 N N N 37.867 -22.900 3.971 -0.807 2.322 -12.380 HM23 UQ7 51 UQ7 HM31 1HM3 H 0 0 N N N 36.837 -22.422 1.373 5.057 0.643 -11.386 HM31 UQ7 52 UQ7 HM32 2HM3 H 0 0 N N N 35.409 -21.540 0.742 3.831 1.021 -10.152 HM32 UQ7 53 UQ7 HM33 3HM3 H 0 0 N N N 37.046 -21.315 0.046 4.098 -0.665 -10.655 HM33 UQ7 54 UQ7 HM51 1HM5 H 0 0 N N N 41.004 -18.497 -0.365 1.156 -3.814 -10.536 HM51 UQ7 55 UQ7 HM52 2HM5 H 0 0 N N N 42.522 -19.255 0.310 0.039 -3.375 -9.221 HM52 UQ7 56 UQ7 HM53 3HM5 H 0 0 N N N 41.284 -20.155 -0.686 -0.586 -3.656 -10.864 HM53 UQ7 57 UQ7 H71 1H7 H 0 1 N N N 43.202 -20.002 1.927 -2.664 -0.777 -10.156 H71 UQ7 58 UQ7 H72 2H7 H 0 1 N N N 43.006 -20.582 3.520 -2.032 -2.441 -10.112 H72 UQ7 59 UQ7 H8 H8 H 0 1 N N N 42.441 -17.601 3.005 -0.971 -1.820 -7.770 H8 UQ7 60 UQ7 H101 1H10 H 0 0 N N N 45.411 -19.730 4.228 -3.921 -0.529 -9.381 H101 UQ7 61 UQ7 H102 2H10 H 0 0 N N N 45.704 -18.833 5.750 -4.839 -0.592 -7.857 H102 UQ7 62 UQ7 H103 3H10 H 0 0 N N N 44.253 -19.857 5.524 -3.954 0.885 -8.302 H103 UQ7 63 UQ7 H111 1H11 H 0 0 N N N 44.715 -16.523 5.678 -3.561 -0.487 -5.678 H111 UQ7 64 UQ7 H112 2H11 H 0 0 N N N 43.350 -16.053 4.855 -1.995 -1.333 -5.715 H112 UQ7 65 UQ7 H121 1H12 H 0 0 N N N 44.659 -16.378 2.549 -0.867 0.784 -6.341 H121 UQ7 66 UQ7 H122 2H12 H 0 0 N N N 46.068 -16.739 3.457 -2.433 1.629 -6.304 H122 UQ7 67 UQ7 H13 H13 H 0 1 N N N 45.367 -14.195 4.525 -2.571 0.951 -3.750 H13 UQ7 68 UQ7 H151 1H15 H 0 0 N N N 45.159 -14.964 0.767 0.309 1.553 -5.824 H151 UQ7 69 UQ7 H152 2H15 H 0 0 N N N 46.481 -13.863 0.240 1.104 2.485 -4.533 H152 UQ7 70 UQ7 H153 3H15 H 0 0 N N N 46.799 -15.378 1.158 1.380 0.732 -4.664 H153 UQ7 71 UQ7 H161 1H16 H 0 0 N N N 45.328 -11.834 2.600 0.446 2.020 -2.136 H161 UQ7 72 UQ7 H162 2H16 H 0 0 N N N 46.738 -12.092 1.668 -1.279 1.644 -1.918 H162 UQ7 73 UQ7 H171 1H17 H 0 0 N N N 47.953 -12.784 3.972 -0.778 -0.774 -2.125 H171 UQ7 74 UQ7 H172 2H17 H 0 0 N N N 46.582 -12.203 4.772 0.947 -0.399 -2.342 H172 UQ7 75 UQ7 H18 H18 H 0 1 N N N 48.525 -10.599 3.054 0.868 0.690 0.063 H18 UQ7 76 UQ7 H201 1H20 H 0 0 N N N 46.135 -9.880 5.950 -1.467 -1.693 -1.306 H201 UQ7 77 UQ7 H202 2H20 H 0 0 N N N 45.643 -8.241 5.426 -1.251 -2.820 0.054 H202 UQ7 78 UQ7 H203 3H20 H 0 0 N N N 45.102 -9.709 4.556 -2.476 -1.533 0.151 H203 UQ7 79 UQ7 H211 1H21 H 0 0 N N N 48.928 -8.144 4.303 -0.380 -1.904 2.245 H211 UQ7 80 UQ7 H212 2H21 H 0 0 N N N 47.452 -7.295 4.261 0.834 -0.617 2.059 H212 UQ7 81 UQ7 H221 1H22 H 0 0 N N N 47.442 -7.147 1.907 -0.956 1.092 2.195 H221 UQ7 82 UQ7 H222 2H22 H 0 0 N N N 47.707 -8.802 1.690 -2.170 -0.195 2.381 H222 UQ7 83 UQ7 H23 H23 H 0 1 N N N 50.224 -7.733 2.805 -1.042 -0.856 4.615 H23 UQ7 84 UQ7 H251 1H25 H 0 0 N N N 48.619 -6.497 -0.449 -0.087 2.106 2.807 H251 UQ7 85 UQ7 H252 2H25 H 0 0 N N N 49.948 -6.990 -1.542 -0.719 3.161 4.094 H252 UQ7 86 UQ7 H253 3H25 H 0 0 N N N 48.882 -8.193 -0.752 0.979 2.628 4.132 H253 UQ7 87 UQ7 H261 1H26 H 0 0 N N N 51.876 -6.848 -0.421 -0.485 2.163 6.533 H261 UQ7 88 UQ7 H262 2H26 H 0 0 N N N 52.186 -8.099 0.725 -1.098 0.493 6.598 H262 UQ7 89 UQ7 H271 1H27 H 0 0 N N N 53.433 -6.194 1.443 1.200 -0.364 6.236 H271 UQ7 90 UQ7 H272 2H27 H 0 0 N N N 52.197 -6.442 2.617 1.813 1.305 6.172 H272 UQ7 91 UQ7 H28 H28 H 0 1 N N N 52.330 -4.106 0.606 0.907 1.572 8.646 H28 UQ7 92 UQ7 H301 1H30 H 0 0 N N N 51.240 -4.978 4.176 1.977 -1.399 6.911 H301 UQ7 93 UQ7 H302 2H30 H 0 0 N N N 49.787 -3.919 4.209 3.082 -1.787 8.252 H302 UQ7 94 UQ7 H303 3H30 H 0 0 N N N 49.859 -5.421 3.222 1.438 -2.467 8.229 H303 UQ7 95 UQ7 H311 1H31 H 0 0 N N N 50.332 -2.324 1.035 2.262 -1.088 10.630 H311 UQ7 96 UQ7 H312 2H31 H 0 0 N N N 51.795 -1.910 1.812 1.615 0.569 10.645 H312 UQ7 97 UQ7 H321 1H32 H 0 0 N N N 50.468 -2.023 4.116 -0.674 -0.322 10.311 H321 UQ7 98 UQ7 H322 2H32 H 0 0 N N N 49.035 -2.179 3.195 -0.026 -1.979 10.296 H322 UQ7 99 UQ7 H33 H33 H 0 1 N N N 48.973 0.157 2.986 0.781 -1.577 12.753 H33 UQ7 100 UQ7 H351 1H35 H 0 0 N N N 52.644 -0.408 2.023 -1.465 0.651 11.038 H351 UQ7 101 UQ7 H352 2H35 H 0 0 N N N 53.299 1.087 2.765 -2.820 0.176 12.089 H352 UQ7 102 UQ7 H353 3H35 H 0 0 N N N 52.715 -0.286 3.758 -1.789 1.557 12.535 H353 UQ7 103 UQ7 H361 1H36 H 0 0 N N N 51.678 2.704 2.951 -2.108 -0.388 14.582 H361 UQ7 104 UQ7 H362 2H36 H 0 0 N N N 50.144 2.470 3.711 -0.746 -1.534 14.603 H362 UQ7 105 UQ7 H371 1H37 H 0 0 N N N 49.092 2.202 1.290 0.844 0.358 14.787 H371 UQ7 106 UQ7 H372 2H37 H 0 0 N N N 50.577 2.584 0.629 -0.517 1.504 14.766 H372 UQ7 107 UQ7 H38 H38 H 0 1 N N N 50.425 4.898 1.368 -1.355 0.393 16.982 H38 UQ7 108 UQ7 H401 1H40 H 0 0 N N N 48.362 3.200 4.138 1.498 -0.119 19.251 H401 UQ7 109 UQ7 H402 2H40 H 0 0 N N N 47.087 4.457 4.243 0.177 1.066 19.129 H402 UQ7 110 UQ7 H403 3H40 H 0 0 N N N 47.234 3.372 2.823 -0.184 -0.675 19.092 H403 UQ7 111 UQ7 H411 1H41 H 0 0 N N N 48.626 6.749 2.005 1.900 -0.236 15.581 H411 UQ7 112 UQ7 H412 2H41 H 0 0 N N N 48.028 6.743 3.692 2.697 0.641 16.908 H412 UQ7 113 UQ7 H413 3H41 H 0 0 N N N 49.772 6.616 3.313 2.415 -1.110 17.044 H413 UQ7 114 # 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 UQ7 C1 C2 SING N N 1 UQ7 C1 C6 SING N N 2 UQ7 C1 O1 DOUB N N 3 UQ7 C2 C3 DOUB N N 4 UQ7 C2 O2 SING N N 5 UQ7 C3 C4 SING N N 6 UQ7 C3 O3 SING N N 7 UQ7 C4 C5 SING N N 8 UQ7 C4 O4 DOUB N N 9 UQ7 C5 C6 DOUB N N 10 UQ7 C5 CM5 SING N N 11 UQ7 C6 C7 SING N N 12 UQ7 CM2 O2 SING N N 13 UQ7 CM2 HM21 SING N N 14 UQ7 CM2 HM22 SING N N 15 UQ7 CM2 HM23 SING N N 16 UQ7 CM3 O3 SING N N 17 UQ7 CM3 HM31 SING N N 18 UQ7 CM3 HM32 SING N N 19 UQ7 CM3 HM33 SING N N 20 UQ7 CM5 HM51 SING N N 21 UQ7 CM5 HM52 SING N N 22 UQ7 CM5 HM53 SING N N 23 UQ7 C7 C8 SING N N 24 UQ7 C7 H71 SING N N 25 UQ7 C7 H72 SING N N 26 UQ7 C8 C9 DOUB N E 27 UQ7 C8 H8 SING N N 28 UQ7 C9 C10 SING N N 29 UQ7 C9 C11 SING N N 30 UQ7 C10 H101 SING N N 31 UQ7 C10 H102 SING N N 32 UQ7 C10 H103 SING N N 33 UQ7 C11 C12 SING N N 34 UQ7 C11 H111 SING N N 35 UQ7 C11 H112 SING N N 36 UQ7 C12 C13 SING N N 37 UQ7 C12 H121 SING N N 38 UQ7 C12 H122 SING N N 39 UQ7 C13 C14 DOUB N E 40 UQ7 C13 H13 SING N N 41 UQ7 C14 C15 SING N N 42 UQ7 C14 C16 SING N N 43 UQ7 C15 H151 SING N N 44 UQ7 C15 H152 SING N N 45 UQ7 C15 H153 SING N N 46 UQ7 C16 C17 SING N N 47 UQ7 C16 H161 SING N N 48 UQ7 C16 H162 SING N N 49 UQ7 C17 C18 SING N N 50 UQ7 C17 H171 SING N N 51 UQ7 C17 H172 SING N N 52 UQ7 C18 C19 DOUB N E 53 UQ7 C18 H18 SING N N 54 UQ7 C19 C20 SING N N 55 UQ7 C19 C21 SING N N 56 UQ7 C20 H201 SING N N 57 UQ7 C20 H202 SING N N 58 UQ7 C20 H203 SING N N 59 UQ7 C21 C22 SING N N 60 UQ7 C21 H211 SING N N 61 UQ7 C21 H212 SING N N 62 UQ7 C22 C23 SING N N 63 UQ7 C22 H221 SING N N 64 UQ7 C22 H222 SING N N 65 UQ7 C23 C24 DOUB N E 66 UQ7 C23 H23 SING N N 67 UQ7 C24 C25 SING N N 68 UQ7 C24 C26 SING N N 69 UQ7 C25 H251 SING N N 70 UQ7 C25 H252 SING N N 71 UQ7 C25 H253 SING N N 72 UQ7 C26 C27 SING N N 73 UQ7 C26 H261 SING N N 74 UQ7 C26 H262 SING N N 75 UQ7 C27 C28 SING N N 76 UQ7 C27 H271 SING N N 77 UQ7 C27 H272 SING N N 78 UQ7 C28 C29 DOUB N E 79 UQ7 C28 H28 SING N N 80 UQ7 C29 C30 SING N N 81 UQ7 C29 C31 SING N N 82 UQ7 C30 H301 SING N N 83 UQ7 C30 H302 SING N N 84 UQ7 C30 H303 SING N N 85 UQ7 C31 C32 SING N N 86 UQ7 C31 H311 SING N N 87 UQ7 C31 H312 SING N N 88 UQ7 C32 C33 SING N N 89 UQ7 C32 H321 SING N N 90 UQ7 C32 H322 SING N N 91 UQ7 C33 C34 DOUB N E 92 UQ7 C33 H33 SING N N 93 UQ7 C34 C35 SING N N 94 UQ7 C34 C36 SING N N 95 UQ7 C35 H351 SING N N 96 UQ7 C35 H352 SING N N 97 UQ7 C35 H353 SING N N 98 UQ7 C36 C37 SING N N 99 UQ7 C36 H361 SING N N 100 UQ7 C36 H362 SING N N 101 UQ7 C37 C38 SING N N 102 UQ7 C37 H371 SING N N 103 UQ7 C37 H372 SING N N 104 UQ7 C38 C39 DOUB N N 105 UQ7 C38 H38 SING N N 106 UQ7 C39 C40 SING N N 107 UQ7 C39 C41 SING N N 108 UQ7 C40 H401 SING N N 109 UQ7 C40 H402 SING N N 110 UQ7 C40 H403 SING N N 111 UQ7 C41 H411 SING N N 112 UQ7 C41 H412 SING N N 113 UQ7 C41 H413 SING N N 114 # 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 UQ7 SMILES ACDLabs 10.04 "O=C1C(=C(C(=O)C(OC)=C1OC)C)C\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)C" UQ7 SMILES_CANONICAL CACTVS 3.341 "COC1=C(OC)C(=O)C(=C(C)C1=O)C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C" UQ7 SMILES CACTVS 3.341 "COC1=C(OC)C(=O)C(=C(C)C1=O)CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C" UQ7 SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 "CC1=C(C(=O)C(=C(C1=O)OC)OC)C\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CCC=C(C)C" UQ7 SMILES "OpenEye OEToolkits" 1.5.0 "CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C" UQ7 InChI InChI 1.03 ;InChI=1S/C44H66O4/c1-32(2)18-12-19-33(3)20-13-21-34(4)22-14-23-35(5)24-15-25-36(6)26-16-27-37(7)28-17-29-38(8)30-31-40-39(9)41(45)43(47-10)44(48-11)42(40)46/h18,20,22,24,26,28,30H,12-17,19,21,23,25,27,29,31H2,1-11H3/b33-20+,34-22+,35-24+,36-26+,37-28+,38-30+ ; UQ7 InChIKey InChI 1.03 DBESHHFMIFSNRV-RJYQSXAYSA-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 UQ7 "SYSTEMATIC NAME" ACDLabs 10.04 "2-[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaen-1-yl]-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione" UQ7 "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 "2-[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaenyl]-5,6-dimethoxy-3-methyl-cyclohexa-2,5-diene-1,4-dione" # loop_ _pdbx_chem_comp_audit.comp_id _pdbx_chem_comp_audit.action_type _pdbx_chem_comp_audit.date _pdbx_chem_comp_audit.processing_site UQ7 "Create component" 2005-03-15 RCSB UQ7 "Modify descriptor" 2011-06-04 RCSB #