data_NGP # _chem_comp.id NGP _chem_comp.name "NOGALAMYCIN (PROTONATED FORM)" _chem_comp.type NON-POLYMER _chem_comp.pdbx_type HETAIN _chem_comp.formula "C39 H52 N O16" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms ? _chem_comp.pdbx_formal_charge 1 _chem_comp.pdbx_initial_date 2002-02-21 _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 790.827 _chem_comp.one_letter_code ? _chem_comp.three_letter_code NGP _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 ? _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 NGP C1 C1 C 0 1 Y N N 25.875 12.076 25.586 -4.509 -0.051 0.863 C1 NGP 1 NGP C2 C2 C 0 1 Y N N 25.080 11.023 26.109 -5.187 -1.225 1.164 C2 NGP 2 NGP C3 C3 C 0 1 Y N N 23.692 11.181 26.257 -4.510 -2.423 1.275 C3 NGP 3 NGP C4 C4 C 0 1 Y N N 23.066 12.367 25.840 -3.131 -2.485 1.092 C4 NGP 4 NGP C5 C5 C 0 1 N N N 23.202 14.637 24.872 -0.963 -1.329 0.616 C5 NGP 5 NGP C6 C6 C 0 1 N N N 23.345 16.865 23.813 1.007 -0.269 -0.216 C6 NGP 6 NGP C7 C7 C 0 1 N N S 23.355 19.023 22.580 3.177 0.860 -0.519 C7 NGP 7 NGP C8 C8 C 0 1 N N N 24.153 20.009 21.791 3.853 2.195 -0.808 C8 NGP 8 NGP C9 C9 C 0 1 N N S 25.643 20.060 22.153 3.148 3.288 0.001 C9 NGP 9 NGP C10 C10 C 0 1 N N R 26.280 18.677 22.164 1.744 3.478 -0.567 C10 NGP 10 NGP C11 C11 C 0 1 N N N 26.116 16.540 23.491 -0.288 2.184 -0.458 C11 NGP 11 NGP C12 C12 C 0 1 N N N 26.018 14.379 24.665 -2.356 1.107 0.322 C12 NGP 12 NGP C13 C13 C 0 1 N N N 25.882 20.731 23.508 3.930 4.598 -0.113 C13 NGP 13 NGP C14 C14 C 0 1 N N N 26.600 18.150 20.771 0.973 4.422 0.319 C14 NGP 14 NGP C15 C15 C 0 1 N N N 28.210 16.994 19.409 -0.624 6.214 0.632 C15 NGP 15 NGP C16 C16 C 0 1 Y N N 25.255 13.301 25.199 -3.125 -0.099 0.665 C16 NGP 16 NGP C17 C17 C 0 1 Y N N 23.839 13.440 25.310 -2.429 -1.322 0.791 C17 NGP 17 NGP C18 C18 C 0 1 N N N 23.960 15.675 24.273 -0.326 -0.243 -0.033 C18 NGP 18 NGP C19 C19 C 0 1 N N S 24.095 17.828 23.119 1.711 0.868 -0.920 C19 NGP 19 NGP C20 C20 C 0 1 N N N 25.474 17.652 22.926 1.016 2.160 -0.639 C20 NGP 20 NGP C21 C21 C 0 1 N N S 25.366 15.532 24.148 -1.119 0.936 -0.533 C21 NGP 21 NGP C22 C22 C 0 1 N N N 25.120 8.469 26.024 -7.090 -2.121 2.527 C22 NGP 22 NGP C23 C23 C 0 1 N N N 27.949 9.313 30.193 -8.840 -0.827 -2.268 C23 NGP 23 NGP C24 C24 C 0 1 N N N 28.319 11.541 30.357 -6.785 -0.462 -3.449 C24 NGP 24 NGP C25 C25 C 0 1 N N N 21.543 23.765 21.991 6.032 -0.540 2.014 C25 NGP 25 NGP C26 C26 C 0 1 N N N 20.931 25.166 25.445 9.571 -0.241 -0.539 C26 NGP 26 NGP C27 C27 C 0 1 N N N 20.435 21.003 27.443 7.181 -3.486 1.791 C27 NGP 27 NGP C28 C28 C 0 1 N N N 22.813 21.627 25.791 7.491 -3.456 -0.874 C28 NGP 28 NGP C29 C29 C 0 1 N N N 18.717 19.463 24.548 4.070 -2.641 -2.599 C29 NGP 29 NGP C30 C30 C 0 1 N N S 27.787 10.824 26.159 -6.532 0.970 0.640 C30 NGP 30 NGP C31 C31 C 0 1 N N S 27.992 11.207 27.622 -6.995 0.627 -0.762 C31 NGP 31 NGP C32 C32 C 0 1 N N R 26.844 10.868 28.575 -6.756 -0.840 -1.081 C32 NGP 32 NGP C33 C33 C 0 1 N N R 26.043 9.677 28.069 -7.341 -1.682 0.063 C33 NGP 33 NGP C34 C34 C 0 1 N N R 25.769 9.742 26.551 -6.684 -1.207 1.369 C34 NGP 34 NGP "C1'" C1* C 0 1 N N R 21.544 20.333 23.408 4.906 -0.644 -0.406 "C1'" NGP 35 NGP "C2'" C2* C 0 1 N N R 20.796 20.591 24.691 5.587 -1.841 -1.075 "C2'" NGP 36 NGP "C3'" C3* C 0 1 N N R 21.347 21.855 25.380 6.696 -2.366 -0.152 "C3'" NGP 37 NGP "C4'" C4* C 0 1 N N S 21.223 23.050 24.400 7.625 -1.200 0.206 "C4'" NGP 38 NGP "C5'" C5* C 0 1 N N S 21.887 22.710 23.047 6.790 -0.052 0.777 "C5'" NGP 39 NGP N1 N1 N 1 1 N N N 27.272 10.614 29.987 -7.420 -1.192 -2.343 N1 NGP 40 NGP O1 O1 O 0 1 N N N 27.219 11.839 25.360 -5.143 1.137 0.760 O1 NGP 41 NGP O2 O2 O 0 1 N N N 27.037 9.653 25.945 -7.099 0.134 1.629 O2 NGP 42 NGP O4 O4 O 0 1 N N N 21.710 12.419 25.937 -2.478 -3.670 1.204 O4 NGP 43 NGP O5 O5 O 0 1 N N N 21.982 14.746 24.988 -0.303 -2.263 1.033 O5 NGP 44 NGP O6 O6 O 0 1 N N N 22.045 17.177 24.074 1.722 -1.323 0.225 O6 NGP 45 NGP O7 O7 O 0 1 N N N 22.811 19.748 23.678 3.852 -0.169 -1.246 O7 NGP 46 NGP O9 O9 O 0 1 N N N 26.340 20.796 21.194 3.064 2.895 1.372 O9 NGP 47 NGP O10 O10 O 0 1 N N N 27.936 17.873 20.511 0.118 5.304 -0.222 O10 NGP 48 NGP O14 O14 O 0 1 N N N 25.712 17.967 19.933 1.124 4.385 1.518 O14 NGP 49 NGP O12 O12 O 0 1 N N N 27.247 14.337 24.627 -2.701 2.202 0.713 O12 NGP 50 NGP O15 O15 O 0 1 N N N 28.295 12.585 27.751 -6.275 1.434 -1.695 O15 NGP 51 NGP O16 O16 O 0 1 N N N 24.883 9.559 28.874 -7.051 -3.064 -0.152 O16 NGP 52 NGP "O1'" O1* O 0 1 N N N 21.461 21.455 22.531 5.856 0.400 -0.202 "O1'" NGP 53 NGP "O2'" O2* O 0 1 N N N 19.398 20.700 24.412 4.625 -2.872 -1.303 "O2'" NGP 54 NGP "O3'" O3* O 0 1 N N N 20.575 22.119 26.562 6.116 -2.901 1.039 "O3'" NGP 55 NGP "O4'" O4* O 0 1 N N N 21.850 24.225 24.922 8.309 -0.756 -0.967 "O4'" NGP 56 NGP H3 H3 H 0 1 N N N 23.082 10.396 26.675 -5.057 -3.325 1.508 H3 NGP 57 NGP H7 H7 H 0 1 N N N 22.553 18.655 21.936 3.252 0.648 0.547 H7 NGP 58 NGP H81 1H8 H 0 1 N N N 24.005 19.783 20.745 4.902 2.143 -0.516 H81 NGP 59 NGP H82 2H8 H 0 1 N N N 23.636 20.922 22.028 3.777 2.420 -1.871 H82 NGP 60 NGP H10 H10 H 0 1 N N N 27.232 18.779 22.679 1.815 3.903 -1.568 H10 NGP 61 NGP H11 H11 H 0 1 N N N 27.194 16.446 23.362 -0.773 3.126 -0.249 H11 NGP 62 NGP H131 1H13 H 0 0 N N N 25.419 20.155 24.309 3.984 4.900 -1.159 H131 NGP 63 NGP H132 2H13 H 0 0 N N N 25.470 21.739 23.503 3.426 5.374 0.463 H132 NGP 64 NGP H133 3H13 H 0 0 N N N 26.952 20.786 23.703 4.938 4.454 0.276 H133 NGP 65 NGP H151 1H15 H 0 0 N N N 27.877 17.421 18.467 -1.262 6.850 0.018 H151 NGP 66 NGP H152 2H15 H 0 0 N N N 29.283 16.812 19.370 -1.241 5.641 1.324 H152 NGP 67 NGP H153 3H15 H 0 0 N N N 27.798 15.984 19.569 0.073 6.834 1.195 H153 NGP 68 NGP H119 19H1 H 0 0 N N N 25.129 18.245 23.150 1.654 0.686 -1.993 H119 NGP 69 NGP H221 21H2 H 0 0 N N N 25.683 15.454 25.214 -1.415 0.760 -1.567 H221 NGP 70 NGP H22A 1H22 H 0 0 N N N 25.763 7.624 26.262 -8.174 -2.099 2.644 H22A NGP 71 NGP H222 2H22 H 0 0 N N N 25.050 8.554 24.941 -6.768 -3.141 2.316 H222 NGP 72 NGP H223 3H22 H 0 0 N N N 24.131 8.326 26.454 -6.618 -1.774 3.446 H223 NGP 73 NGP H231 1H23 H 0 0 N N N 28.701 9.193 29.407 -8.936 0.259 -2.236 H231 NGP 74 NGP H232 2H23 H 0 0 N N N 27.224 8.503 30.122 -9.362 -1.212 -3.144 H232 NGP 75 NGP H233 3H23 H 0 0 N N N 28.424 9.277 31.173 -9.278 -1.256 -1.367 H233 NGP 76 NGP H241 1H24 H 0 0 N N N 28.627 11.377 31.382 -5.702 -0.568 -3.381 H241 NGP 77 NGP H242 2H24 H 0 0 N N N 27.963 12.553 30.184 -7.130 -0.871 -4.399 H242 NGP 78 NGP H243 3H24 H 0 0 N N N 29.120 11.310 29.654 -7.051 0.593 -3.389 H243 NGP 79 NGP H251 1H25 H 0 0 N N N 20.470 23.773 21.806 6.745 -0.869 2.770 H251 NGP 80 NGP H252 2H25 H 0 0 N N N 22.064 23.530 21.063 5.427 0.273 2.413 H252 NGP 81 NGP H253 3H25 H 0 0 N N N 21.852 24.752 22.334 5.385 -1.373 1.738 H253 NGP 82 NGP H261 1H26 H 0 0 N N N 20.317 24.724 26.231 10.132 0.112 -1.405 H261 NGP 83 NGP H262 2H26 H 0 0 N N N 20.298 25.534 24.637 9.411 0.587 0.151 H262 NGP 84 NGP H263 3H26 H 0 0 N N N 21.494 26.000 25.862 10.134 -1.028 -0.038 H263 NGP 85 NGP H271 1H27 H 0 0 N N N 21.407 20.603 27.719 7.892 -2.711 2.077 H271 NGP 86 NGP H272 2H27 H 0 0 N N N 19.900 20.209 26.913 6.777 -3.958 2.686 H272 NGP 87 NGP H273 3H27 H 0 0 N N N 19.908 21.297 28.351 7.686 -4.236 1.181 H273 NGP 88 NGP H281 1H28 H 0 0 N N N 23.095 22.372 26.528 7.796 -3.093 -1.856 H281 NGP 89 NGP H282 2H28 H 0 0 N N N 23.485 21.703 24.935 8.375 -3.708 -0.289 H282 NGP 90 NGP H283 3H28 H 0 0 N N N 22.919 20.613 26.179 6.868 -4.342 -0.992 H283 NGP 91 NGP H291 1H29 H 0 0 N N N 17.705 19.585 24.171 3.327 -3.407 -2.819 H291 NGP 92 NGP H292 2H29 H 0 0 N N N 19.230 18.689 23.975 3.597 -1.659 -2.622 H292 NGP 93 NGP H293 3H29 H 0 0 N N N 18.666 19.161 25.592 4.863 -2.679 -3.346 H293 NGP 94 NGP H30 H30 H 0 1 N N N 28.783 10.593 25.865 -6.950 1.957 0.837 H30 NGP 95 NGP H31 H31 H 0 1 N N N 28.845 10.637 27.941 -8.060 0.843 -0.847 H31 NGP 96 NGP H32 H32 H 0 1 N N N 26.238 11.752 28.512 -5.685 -1.029 -1.164 H32 NGP 97 NGP H33 H33 H 0 1 N N N 26.719 8.852 28.246 -8.420 -1.535 0.116 H33 NGP 98 NGP "H1'" H1* H 0 1 N N N 21.019 19.552 22.945 4.493 -0.952 0.554 "H1'" NGP 99 NGP "H2'" H2* H 0 1 N N N 20.990 19.723 25.324 6.020 -1.530 -2.025 "H2'" NGP 100 NGP "H4'" H4* H 0 1 N N N 20.164 23.227 24.209 8.351 -1.528 0.950 "H4'" NGP 101 NGP "H5'" H5* H 0 1 N N N 22.970 22.705 23.169 7.448 0.770 1.057 "H5'" NGP 102 NGP HN1 HN1 H 0 1 N N N 26.477 10.704 30.614 -7.335 -2.184 -2.503 HN1 NGP 103 NGP HO4 HO4 H 0 1 N N N 21.457 13.321 25.656 -2.471 -4.070 0.324 HO4 NGP 104 NGP HO6 HO6 H 0 1 N N N 22.041 18.098 24.362 1.931 -2.051 -0.377 HO6 NGP 105 NGP HO9 HO9 H 0 1 N N N 26.101 21.741 21.287 3.971 2.772 1.683 HO9 NGP 106 NGP H15 H15 H 0 1 N N N 28.956 12.854 27.082 -6.451 2.356 -1.461 H15 NGP 107 NGP H16 H16 H 0 1 N N N 24.609 8.618 28.904 -7.411 -3.547 0.604 H16 NGP 108 # 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 NGP C1 C2 DOUB Y N 1 NGP C1 C16 SING Y N 2 NGP C1 O1 SING N N 3 NGP C2 C3 SING Y N 4 NGP C2 C34 SING N N 5 NGP C3 C4 DOUB Y N 6 NGP C3 H3 SING N N 7 NGP C4 C17 SING Y N 8 NGP C4 O4 SING N N 9 NGP C5 C17 SING N N 10 NGP C5 C18 SING N N 11 NGP C5 O5 DOUB N N 12 NGP C6 C18 DOUB N N 13 NGP C6 C19 SING N N 14 NGP C6 O6 SING N N 15 NGP C7 C8 SING N N 16 NGP C7 C19 SING N N 17 NGP C7 O7 SING N N 18 NGP C7 H7 SING N N 19 NGP C8 C9 SING N N 20 NGP C8 H81 SING N N 21 NGP C8 H82 SING N N 22 NGP C9 C10 SING N N 23 NGP C9 C13 SING N N 24 NGP C9 O9 SING N N 25 NGP C10 C14 SING N N 26 NGP C10 C20 SING N N 27 NGP C10 H10 SING N N 28 NGP C11 C20 DOUB N N 29 NGP C11 C21 SING N N 30 NGP C11 H11 SING N N 31 NGP C12 C16 SING N N 32 NGP C12 C21 SING N N 33 NGP C12 O12 DOUB N N 34 NGP C13 H131 SING N N 35 NGP C13 H132 SING N N 36 NGP C13 H133 SING N N 37 NGP C14 O10 SING N N 38 NGP C14 O14 DOUB N N 39 NGP C15 O10 SING N N 40 NGP C15 H151 SING N N 41 NGP C15 H152 SING N N 42 NGP C15 H153 SING N N 43 NGP C16 C17 DOUB Y N 44 NGP C18 C21 SING N N 45 NGP C19 C20 SING N N 46 NGP C19 H119 SING N N 47 NGP C21 H221 SING N N 48 NGP C22 C34 SING N N 49 NGP C22 H22A SING N N 50 NGP C22 H222 SING N N 51 NGP C22 H223 SING N N 52 NGP C23 N1 SING N N 53 NGP C23 H231 SING N N 54 NGP C23 H232 SING N N 55 NGP C23 H233 SING N N 56 NGP C24 N1 SING N N 57 NGP C24 H241 SING N N 58 NGP C24 H242 SING N N 59 NGP C24 H243 SING N N 60 NGP C25 "C5'" SING N N 61 NGP C25 H251 SING N N 62 NGP C25 H252 SING N N 63 NGP C25 H253 SING N N 64 NGP C26 "O4'" SING N N 65 NGP C26 H261 SING N N 66 NGP C26 H262 SING N N 67 NGP C26 H263 SING N N 68 NGP C27 "O3'" SING N N 69 NGP C27 H271 SING N N 70 NGP C27 H272 SING N N 71 NGP C27 H273 SING N N 72 NGP C28 "C3'" SING N N 73 NGP C28 H281 SING N N 74 NGP C28 H282 SING N N 75 NGP C28 H283 SING N N 76 NGP C29 "O2'" SING N N 77 NGP C29 H291 SING N N 78 NGP C29 H292 SING N N 79 NGP C29 H293 SING N N 80 NGP C30 C31 SING N N 81 NGP C30 O1 SING N N 82 NGP C30 O2 SING N N 83 NGP C30 H30 SING N N 84 NGP C31 C32 SING N N 85 NGP C31 O15 SING N N 86 NGP C31 H31 SING N N 87 NGP C32 C33 SING N N 88 NGP C32 N1 SING N N 89 NGP C32 H32 SING N N 90 NGP C33 C34 SING N N 91 NGP C33 O16 SING N N 92 NGP C33 H33 SING N N 93 NGP C34 O2 SING N N 94 NGP "C1'" "C2'" SING N N 95 NGP "C1'" O7 SING N N 96 NGP "C1'" "O1'" SING N N 97 NGP "C1'" "H1'" SING N N 98 NGP "C2'" "C3'" SING N N 99 NGP "C2'" "O2'" SING N N 100 NGP "C2'" "H2'" SING N N 101 NGP "C3'" "C4'" SING N N 102 NGP "C3'" "O3'" SING N N 103 NGP "C4'" "C5'" SING N N 104 NGP "C4'" "O4'" SING N N 105 NGP "C4'" "H4'" SING N N 106 NGP "C5'" "O1'" SING N N 107 NGP "C5'" "H5'" SING N N 108 NGP N1 HN1 SING N N 109 NGP O4 HO4 SING N N 110 NGP O6 HO6 SING N N 111 NGP O9 HO9 SING N N 112 NGP O15 H15 SING N N 113 NGP O16 H16 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 NGP SMILES ACDLabs 10.04 "O=C(OC)C3C1=CC7C(=C(O)C1C(OC2OC(C)C(OC)C(OC)(C)C2OC)CC3(O)C)C(=O)c6c(O)cc4c(OC5OC4(C(O)C(C5O)[NH+](C)C)C)c6C7=O" NGP SMILES_CANONICAL CACTVS 3.341 "CO[C@H]1[C@H](C)O[C@@H](O[C@H]2C[C@](C)(O)[C@H](C(=O)OC)C3=C[C@@H]4C(=O)c5c6O[C@@H]7O[C@@](C)([C@H](O)[C@H]([C@@H]7O)[NH+](C)C)c6cc(O)c5C(=O)C4=C(O)[C@H]23)[C@H](OC)[C@]1(C)OC" NGP SMILES CACTVS 3.341 "CO[CH]1[CH](C)O[CH](O[CH]2C[C](C)(O)[CH](C(=O)OC)C3=C[CH]4C(=O)c5c6O[CH]7O[C](C)([CH](O)[CH]([CH]7O)[NH+](C)C)c6cc(O)c5C(=O)C4=C(O)[CH]23)[CH](OC)[C]1(C)OC" NGP SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 "C[C@H]1[C@@H]([C@@]([C@H]([C@@H](O1)O[C@H]2C[C@]([C@@H](C3=CC4C(=O)c5c(c(cc6c5O[C@H]7[C@H]([C@@H]([C@H]([C@@]6(O7)C)O)[NH+](C)C)O)O)C(=O)C4=C(C23)O)C(=O)OC)(C)O)OC)(C)OC)OC" NGP SMILES "OpenEye OEToolkits" 1.5.0 "CC1C(C(C(C(O1)OC2CC(C(C3=CC4C(=O)c5c(c(cc6c5OC7C(C(C(C6(O7)C)O)[NH+](C)C)O)O)C(=O)C4=C(C23)O)C(=O)OC)(C)O)OC)(C)OC)OC" NGP InChI InChI 1.03 ;InChI=1S/C39H51NO16/c1-14-32(49-7)39(4,52-10)33(50-8)36(53-14)54-19-13-37(2,48)24(34(47)51-9)15-11-16-21(27(43)20(15)19)28(44)22-18(41)12-17-30(23(22)26(16)42)55-35-29(45)25(40(5)6)31(46)38(17,3)56-35/h11-12,14,16,19-20,24-25,29,31-33,35-36,41,43,45-46,48H,13H2,1-10H3/p+1/t14-,16-,19-,20-,24-,25-,29-,31+,32-,33-,35+,36-,37-,38+,39+/m0/s1 ; NGP InChIKey InChI 1.03 NXHOGSUAUGLOER-JRDTZGCNSA-O # 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 NGP "SYSTEMATIC NAME" ACDLabs 10.04 ;(2R,3S,4R,5R,6R,10aS,11S,13S,14R,15aS)-11-[(6-deoxy-3-C-methyl-2,3,4-tri-O-methyl-alpha-L-mannopyranosyl)oxy]-3,5,8,10,13-pentahydroxy-14-(methoxycarbonyl)-N,N,6,13-tetramethyl-9,16-dioxo-3,4,5,6,9,10a,11,12,13,14,15a,16-dodecahydro-2H-2,6-epoxytetraceno[1,2-b]oxocin-4-aminium ; # loop_ _pdbx_chem_comp_audit.comp_id _pdbx_chem_comp_audit.action_type _pdbx_chem_comp_audit.date _pdbx_chem_comp_audit.processing_site NGP "Create component" 2002-02-21 RCSB NGP "Modify descriptor" 2011-06-04 RCSB #