data_SPN # _chem_comp.id SPN _chem_comp.name SPEROIDENONE _chem_comp.type NON-POLYMER _chem_comp.pdbx_type HETAIN _chem_comp.formula "C41 H70 O2" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms ? _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 1999-07-08 _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 594.993 _chem_comp.one_letter_code ? _chem_comp.three_letter_code SPN _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 1QOV _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 SPN CMA CMA C 0 1 N N N 24.650 117.965 6.450 1.355 -0.023 15.982 CMA SPN 1 SPN O1 O1 O 0 1 N N N 26.162 118.017 6.292 0.957 -0.108 14.612 O1 SPN 2 SPN CM1 CM1 C 0 1 N N N 28.419 118.963 6.841 1.237 2.288 14.491 CM1 SPN 3 SPN CM2 CM2 C 0 1 N N N 26.372 120.315 7.336 3.156 0.741 14.083 CM2 SPN 4 SPN C1 C1 C 0 1 N N N 26.944 118.893 7.255 1.647 0.931 13.916 C1 SPN 5 SPN C2 C2 C 0 1 N N N 26.808 118.206 8.609 1.293 0.877 12.453 C2 SPN 6 SPN O2 O2 O 0 1 N N N 26.985 118.824 9.664 1.288 1.889 11.795 O2 SPN 7 SPN C3 C3 C 0 1 N N N 26.553 116.633 8.786 0.943 -0.440 11.810 C3 SPN 8 SPN C4 C4 C 0 1 N N N 27.277 116.016 9.824 0.631 -0.220 10.352 C4 SPN 9 SPN C5 C5 C 0 1 N N N 27.082 114.512 10.082 -0.564 -0.493 9.890 C5 SPN 10 SPN CM3 CM3 C 0 1 N N N 27.082 113.522 8.887 -1.669 -0.875 10.840 CM3 SPN 11 SPN C6 C6 C 0 1 N N N 27.683 114.134 11.289 -0.833 -0.423 8.409 C6 SPN 12 SPN C7 C7 C 0 1 N N N 27.565 112.691 11.791 -0.557 -1.788 7.776 C7 SPN 13 SPN C8 C8 C 0 1 N N N 28.087 112.448 13.066 -0.826 -1.718 6.295 C8 SPN 14 SPN C9 C9 C 0 1 N N N 27.969 111.039 13.647 0.089 -2.109 5.443 C9 SPN 15 SPN CM4 CM4 C 0 1 N N N 27.654 109.821 12.749 1.349 -2.768 5.942 CM4 SPN 16 SPN C10 C10 C 0 1 N N N 28.592 110.899 14.878 -0.117 -1.899 3.965 C10 SPN 17 SPN C11 C11 C 0 1 N N N 28.525 109.550 15.609 0.450 -0.538 3.559 C11 SPN 18 SPN C12 C12 C 0 1 N N N 29.218 109.582 16.825 0.243 -0.328 2.081 C12 SPN 19 SPN C13 C13 C 0 1 N N N 29.275 108.315 17.665 -0.328 0.768 1.649 C13 SPN 20 SPN CM5 CM5 C 0 1 N N N 28.518 107.053 17.196 -0.865 1.776 2.632 CM5 SPN 21 SPN C14 C14 C 0 1 N N N 30.201 108.378 18.710 -0.448 1.022 0.168 C14 SPN 22 SPN C15 C15 C 0 1 N N N 30.329 107.103 19.545 -1.766 0.437 -0.343 C15 SPN 23 SPN C16 C16 C 0 1 N N N 31.282 107.029 20.552 -1.889 0.695 -1.846 C16 SPN 24 SPN C17 C17 C 0 1 N N N 32.196 108.190 20.851 -3.207 0.111 -2.358 C17 SPN 25 SPN C18 C18 C 0 1 N N N 33.080 108.160 21.917 -3.327 0.364 -3.838 C18 SPN 26 SPN CM6 CM6 C 0 1 N N N 33.091 107.162 23.078 -3.985 1.626 -4.335 CM6 SPN 27 SPN C19 C19 C 0 1 N N N 33.886 109.464 22.008 -2.861 -0.511 -4.693 C19 SPN 28 SPN C20 C20 C 0 1 N N N 34.682 109.663 23.125 -3.079 -0.312 -6.171 C20 SPN 29 SPN C21 C21 C 0 1 N N N 35.406 111.005 23.107 -1.730 -0.339 -6.893 C21 SPN 30 SPN C22 C22 C 0 1 N N N 36.234 111.392 24.148 -1.952 -0.137 -8.394 C22 SPN 31 SPN CM7 CM7 C 0 1 N N N 36.268 110.799 25.557 -2.842 -1.258 -8.934 CM7 SPN 32 SPN C23 C23 C 0 1 N N N 37.176 112.586 23.902 -0.603 -0.164 -9.117 C23 SPN 33 SPN C24 C24 C 0 1 N N N 38.618 112.230 24.204 -0.825 0.037 -10.617 C24 SPN 34 SPN C25 C25 C 0 1 N N N 39.588 113.369 23.858 0.502 0.011 -11.329 C25 SPN 35 SPN C26 C26 C 0 1 N N N 40.614 113.348 22.899 0.927 1.075 -11.963 C26 SPN 36 SPN CM8 CM8 C 0 1 N N N 41.291 112.021 22.503 0.171 2.374 -11.846 CM8 SPN 37 SPN C27 C27 C 0 1 N N N 41.539 114.573 22.684 2.171 1.001 -12.810 C27 SPN 38 SPN C28 C28 C 0 1 N N N 41.954 115.139 24.035 1.792 0.614 -14.241 C28 SPN 39 SPN C29 C29 C 0 1 N N N 43.006 116.260 23.936 3.036 0.540 -15.088 C29 SPN 40 SPN C30 C30 C 0 1 N N N 43.317 117.137 24.992 3.409 -0.603 -15.606 C30 SPN 41 SPN CM9 CM9 C 0 1 N N N 42.632 117.043 26.373 4.556 -0.650 -16.581 CM9 SPN 42 SPN CMB CMB C 0 1 N N N 44.385 118.242 24.900 2.690 -1.872 -15.225 CMB SPN 43 SPN HMA1 1HMA H 0 0 N N N 24.075 117.321 5.743 1.060 0.944 16.387 HMA1 SPN 44 SPN HMA2 2HMA H 0 0 N N N 24.400 117.673 7.496 0.871 -0.817 16.551 HMA2 SPN 45 SPN HMA3 3HMA H 0 0 N N N 24.241 119.002 6.417 2.437 -0.133 16.054 HMA3 SPN 46 SPN HM11 1HM1 H 0 0 N N N 28.993 119.606 7.548 0.150 2.350 14.536 HM11 SPN 47 SPN HM12 2HM1 H 0 0 N N N 28.870 117.948 6.743 1.650 2.398 15.494 HM12 SPN 48 SPN HM13 3HM1 H 0 0 N N N 28.537 119.299 5.784 1.621 3.084 13.852 HM13 SPN 49 SPN HM21 1HM2 H 0 0 N N N 26.946 120.958 8.043 3.427 -0.277 13.805 HM21 SPN 50 SPN HM22 2HM2 H 0 0 N N N 26.307 120.782 6.325 3.684 1.445 13.440 HM22 SPN 51 SPN HM23 3HM2 H 0 0 N N N 25.287 120.300 7.593 3.433 0.920 15.122 HM23 SPN 52 SPN H31 1H3 H 0 1 N N N 25.462 116.434 8.910 1.787 -1.124 11.902 H31 SPN 53 SPN H32 2H3 H 0 1 N N N 26.741 116.104 7.822 0.073 -0.867 12.308 H32 SPN 54 SPN H4 H4 H 0 1 N N N 27.954 116.669 10.398 1.392 0.160 9.688 H4 SPN 55 SPN HM31 1HM3 H 0 0 N N N 26.940 112.431 9.074 -1.315 -0.783 11.867 HM31 SPN 56 SPN HM32 2HM3 H 0 0 N N N 26.317 113.857 8.148 -2.523 -0.214 10.690 HM32 SPN 57 SPN HM33 3HM3 H 0 0 N N N 28.024 113.663 8.308 -1.970 -1.906 10.651 HM33 SPN 58 SPN H61 1H6 H 0 1 N N N 28.764 114.402 11.241 -1.875 -0.149 8.242 H61 SPN 59 SPN H62 2H6 H 0 1 N N N 27.317 114.816 12.091 -0.183 0.325 7.957 H62 SPN 60 SPN H71 1H7 H 0 1 N N N 26.501 112.358 11.745 0.484 -2.062 7.943 H71 SPN 61 SPN H72 2H7 H 0 1 N N N 28.023 111.992 11.052 -1.207 -2.537 8.228 H72 SPN 62 SPN H8 H8 H 0 1 N N N 28.557 113.305 13.576 -1.774 -1.346 5.935 H8 SPN 63 SPN HM41 1HM4 H 0 0 N N N 27.567 108.793 13.172 1.278 -2.920 7.019 HM41 SPN 64 SPN HM42 2HM4 H 0 0 N N N 26.715 110.041 12.188 1.476 -3.730 5.446 HM42 SPN 65 SPN HM43 3HM4 H 0 0 N N N 28.410 109.792 11.930 2.204 -2.130 5.721 HM43 SPN 66 SPN H101 1H10 H 0 0 N N N 29.662 111.193 14.771 0.394 -2.686 3.412 H101 SPN 67 SPN H102 2H10 H 0 0 N N N 28.212 111.693 15.561 -1.183 -1.930 3.740 H102 SPN 68 SPN H111 1H11 H 0 0 N N N 27.470 109.217 15.751 -0.061 0.249 4.113 H111 SPN 69 SPN H112 2H11 H 0 0 N N N 28.883 108.718 14.959 1.516 -0.506 3.785 H112 SPN 70 SPN H12 H12 H 0 1 N N N 29.687 110.540 17.102 0.566 -1.081 1.378 H12 SPN 71 SPN HM51 1HM5 H 0 0 N N N 28.559 106.124 17.811 -0.606 1.468 3.646 HM51 SPN 72 SPN HM52 2HM5 H 0 0 N N N 27.448 107.321 17.030 -0.427 2.753 2.427 HM52 SPN 73 SPN HM53 3HM5 H 0 0 N N N 28.846 106.806 16.159 -1.949 1.835 2.536 HM53 SPN 74 SPN H141 1H14 H 0 0 N N N 31.200 108.682 18.319 -0.430 2.095 -0.018 H141 SPN 75 SPN H142 2H14 H 0 0 N N N 29.975 109.247 19.370 0.384 0.548 -0.349 H142 SPN 76 SPN H151 1H15 H 0 0 N N N 29.331 106.866 19.984 -1.785 -0.635 -0.155 H151 SPN 77 SPN H152 2H15 H 0 0 N N N 30.477 106.241 18.853 -2.600 0.911 0.175 H152 SPN 78 SPN H161 1H16 H 0 0 N N N 30.762 106.746 21.497 -1.870 1.769 -2.033 H161 SPN 79 SPN H162 2H16 H 0 0 N N N 31.915 106.131 20.361 -1.056 0.221 -2.365 H162 SPN 80 SPN H171 1H17 H 0 0 N N N 32.779 108.413 19.927 -3.226 -0.962 -2.170 H171 SPN 81 SPN H172 2H17 H 0 0 N N N 31.566 109.104 20.953 -4.040 0.585 -1.839 H172 SPN 82 SPN HM61 1HM6 H 0 0 N N N 33.802 107.137 23.936 -4.813 1.368 -4.995 HM61 SPN 83 SPN HM62 2HM6 H 0 0 N N N 32.070 107.198 23.525 -4.361 2.199 -3.487 HM62 SPN 84 SPN HM63 3HM6 H 0 0 N N N 33.133 106.149 22.613 -3.257 2.224 -4.883 HM63 SPN 85 SPN H19 H19 H 0 1 N N N 33.893 110.272 21.257 -2.319 -1.376 -4.339 H19 SPN 86 SPN H201 1H20 H 0 0 N N N 34.090 109.541 24.062 -3.713 -1.110 -6.555 H201 SPN 87 SPN H202 2H20 H 0 0 N N N 35.403 108.822 23.255 -3.563 0.649 -6.340 H202 SPN 88 SPN H211 1H21 H 0 0 N N N 35.992 111.066 22.160 -1.096 0.459 -6.509 H211 SPN 89 SPN H212 2H21 H 0 0 N N N 34.643 111.805 22.958 -1.246 -1.301 -6.724 H212 SPN 90 SPN H22 H22 H 0 1 N N N 35.882 110.338 24.047 -2.436 0.824 -8.563 H22 SPN 91 SPN HM71 1HM7 H 0 0 N N N 36.934 111.110 26.394 -2.358 -2.220 -8.764 HM71 SPN 92 SPN HM72 2HM7 H 0 0 N N N 35.225 110.866 25.947 -3.803 -1.238 -8.419 HM72 SPN 93 SPN HM73 3HM7 H 0 0 N N N 36.422 109.702 25.428 -3.000 -1.114 -10.002 HM73 SPN 94 SPN H231 1H23 H 0 0 N N N 37.063 112.987 22.867 0.030 0.634 -8.732 H231 SPN 95 SPN H232 2H23 H 0 0 N N N 36.850 113.486 24.473 -0.120 -1.126 -8.947 H232 SPN 96 SPN H241 1H24 H 0 0 N N N 38.738 111.908 25.264 -1.459 -0.760 -11.001 H241 SPN 97 SPN H242 2H24 H 0 0 N N N 38.912 111.282 23.695 -1.309 0.999 -10.786 H242 SPN 98 SPN H25 H25 H 0 1 N N N 39.541 114.343 24.372 1.104 -0.885 -11.316 H25 SPN 99 SPN HM81 1HM8 H 0 0 N N N 42.105 112.004 21.741 -0.653 2.252 -11.144 HM81 SPN 100 SPN HM82 2HM8 H 0 0 N N N 41.670 111.532 23.430 0.842 3.153 -11.485 HM82 SPN 101 SPN HM83 3HM8 H 0 0 N N N 40.497 111.307 22.180 -0.220 2.656 -12.823 HM83 SPN 102 SPN H271 1H27 H 0 0 N N N 42.417 114.330 22.041 2.665 1.973 -12.816 H271 SPN 103 SPN H272 2H27 H 0 0 N N N 41.070 115.344 22.029 2.847 0.252 -12.398 H272 SPN 104 SPN H281 1H28 H 0 0 N N N 41.062 115.484 24.608 1.298 -0.357 -14.235 H281 SPN 105 SPN H282 2H28 H 0 0 N N N 42.306 114.326 24.711 1.115 1.363 -14.653 H282 SPN 106 SPN H29 H29 H 0 1 N N N 43.592 116.453 23.022 3.620 1.431 -15.269 H29 SPN 107 SPN HM91 1HM9 H 0 0 N N N 42.878 117.737 27.209 4.719 -1.680 -16.901 HM91 SPN 108 SPN HM92 2HM9 H 0 0 N N N 41.530 117.091 26.207 4.321 -0.033 -17.449 HM92 SPN 109 SPN HM93 3HM9 H 0 0 N N N 42.768 116.001 26.747 5.458 -0.272 -16.100 HM93 SPN 110 SPN HMB1 1HMB H 0 0 N N N 44.631 118.936 25.736 1.966 -1.658 -14.439 HMB1 SPN 111 SPN HMB2 2HMB H 0 0 N N N 45.337 117.753 24.587 2.173 -2.272 -16.097 HMB2 SPN 112 SPN HMB3 3HMB H 0 0 N N N 44.132 118.870 24.014 3.413 -2.604 -14.864 HMB3 SPN 113 # 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 SPN CMA O1 SING N N 1 SPN CMA HMA1 SING N N 2 SPN CMA HMA2 SING N N 3 SPN CMA HMA3 SING N N 4 SPN O1 C1 SING N N 5 SPN CM1 C1 SING N N 6 SPN CM1 HM11 SING N N 7 SPN CM1 HM12 SING N N 8 SPN CM1 HM13 SING N N 9 SPN CM2 C1 SING N N 10 SPN CM2 HM21 SING N N 11 SPN CM2 HM22 SING N N 12 SPN CM2 HM23 SING N N 13 SPN C1 C2 SING N N 14 SPN C2 O2 DOUB N N 15 SPN C2 C3 SING N N 16 SPN C3 C4 SING N N 17 SPN C3 H31 SING N N 18 SPN C3 H32 SING N N 19 SPN C4 C5 DOUB N E 20 SPN C4 H4 SING N N 21 SPN C5 CM3 SING N N 22 SPN C5 C6 SING N N 23 SPN CM3 HM31 SING N N 24 SPN CM3 HM32 SING N N 25 SPN CM3 HM33 SING N N 26 SPN C6 C7 SING N N 27 SPN C6 H61 SING N N 28 SPN C6 H62 SING N N 29 SPN C7 C8 SING N N 30 SPN C7 H71 SING N N 31 SPN C7 H72 SING N N 32 SPN C8 C9 DOUB N E 33 SPN C8 H8 SING N N 34 SPN C9 CM4 SING N N 35 SPN C9 C10 SING N N 36 SPN CM4 HM41 SING N N 37 SPN CM4 HM42 SING N N 38 SPN CM4 HM43 SING N N 39 SPN C10 C11 SING N N 40 SPN C10 H101 SING N N 41 SPN C10 H102 SING N N 42 SPN C11 C12 SING N N 43 SPN C11 H111 SING N N 44 SPN C11 H112 SING N N 45 SPN C12 C13 DOUB N E 46 SPN C12 H12 SING N N 47 SPN C13 CM5 SING N N 48 SPN C13 C14 SING N N 49 SPN CM5 HM51 SING N N 50 SPN CM5 HM52 SING N N 51 SPN CM5 HM53 SING N N 52 SPN C14 C15 SING N N 53 SPN C14 H141 SING N N 54 SPN C14 H142 SING N N 55 SPN C15 C16 SING N N 56 SPN C15 H151 SING N N 57 SPN C15 H152 SING N N 58 SPN C16 C17 SING N N 59 SPN C16 H161 SING N N 60 SPN C16 H162 SING N N 61 SPN C17 C18 SING N N 62 SPN C17 H171 SING N N 63 SPN C17 H172 SING N N 64 SPN C18 CM6 SING N N 65 SPN C18 C19 DOUB N E 66 SPN CM6 HM61 SING N N 67 SPN CM6 HM62 SING N N 68 SPN CM6 HM63 SING N N 69 SPN C19 C20 SING N N 70 SPN C19 H19 SING N N 71 SPN C20 C21 SING N N 72 SPN C20 H201 SING N N 73 SPN C20 H202 SING N N 74 SPN C21 C22 SING N N 75 SPN C21 H211 SING N N 76 SPN C21 H212 SING N N 77 SPN C22 CM7 SING N N 78 SPN C22 C23 SING N N 79 SPN C22 H22 SING N N 80 SPN CM7 HM71 SING N N 81 SPN CM7 HM72 SING N N 82 SPN CM7 HM73 SING N N 83 SPN C23 C24 SING N N 84 SPN C23 H231 SING N N 85 SPN C23 H232 SING N N 86 SPN C24 C25 SING N N 87 SPN C24 H241 SING N N 88 SPN C24 H242 SING N N 89 SPN C25 C26 DOUB N E 90 SPN C25 H25 SING N N 91 SPN C26 CM8 SING N N 92 SPN C26 C27 SING N N 93 SPN CM8 HM81 SING N N 94 SPN CM8 HM82 SING N N 95 SPN CM8 HM83 SING N N 96 SPN C27 C28 SING N N 97 SPN C27 H271 SING N N 98 SPN C27 H272 SING N N 99 SPN C28 C29 SING N N 100 SPN C28 H281 SING N N 101 SPN C28 H282 SING N N 102 SPN C29 C30 DOUB N N 103 SPN C29 H29 SING N N 104 SPN C30 CM9 SING N N 105 SPN C30 CMB SING N N 106 SPN CM9 HM91 SING N N 107 SPN CM9 HM92 SING N N 108 SPN CM9 HM93 SING N N 109 SPN CMB HMB1 SING N N 110 SPN CMB HMB2 SING N N 111 SPN CMB HMB3 SING N N 112 # 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 SPN SMILES ACDLabs 10.04 "O=C(C/C=C(\C)CC\C=C(/C)CC\C=C(/C)CCCCC(=C/CCC(C)CC\C=C(/C)CC\C=C(/C)C)/C)C(OC)(C)C" SPN SMILES_CANONICAL CACTVS 3.341 "COC(C)(C)C(=O)C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCCC\C(C)=C\CC[C@H](C)CC\C=C(/C)CCC=C(C)C" SPN SMILES CACTVS 3.341 "COC(C)(C)C(=O)CC=C(C)CCC=C(C)CCC=C(C)CCCCC(C)=CCC[CH](C)CCC=C(C)CCC=C(C)C" SPN SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 "CC(CC\C=C(/C)\CCCC/C(=C/CCC(=CCCC(=CCC(=O)C(C)(C)OC)C)C)/C)CCC=C(C)CCC=C(C)C" SPN SMILES "OpenEye OEToolkits" 1.5.0 "CC(CCC=C(C)CCCCC(=CCCC(=CCCC(=CCC(=O)C(C)(C)OC)C)C)C)CCC=C(C)CCC=C(C)C" SPN InChI InChI 1.03 "InChI=1S/C41H70O2/c1-33(2)19-14-22-36(5)25-17-28-37(6)26-15-23-34(3)20-12-13-21-35(4)24-16-27-38(7)29-18-30-39(8)31-32-40(42)41(9,10)43-11/h19,23-25,29,31,37H,12-18,20-22,26-28,30,32H2,1-11H3/b34-23+,35-24+,36-25+,38-29+,39-31+/t37-/m0/s1" SPN InChIKey InChI 1.03 GWQAMGYOEYXWJF-YCDPMLDASA-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 SPN "SYSTEMATIC NAME" ACDLabs 10.04 "(8E,9'S,12E,12'E)-1-methoxy-4,5-didehydro-1,2,5,6,7,7',8',9',10,10',11,11',14,14',15,15'-hexadecahydro-psi,psi-caroten-2-one" SPN "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 "(13E,19E)-2-methoxy-2,6,10,14,19,23,27,31-octamethyl-dotriaconta-5,9,13,19,26,30-hexaen-3-one" # loop_ _pdbx_chem_comp_audit.comp_id _pdbx_chem_comp_audit.action_type _pdbx_chem_comp_audit.date _pdbx_chem_comp_audit.processing_site SPN "Create component" 1999-07-08 RCSB SPN "Modify descriptor" 2011-06-04 RCSB #