data_ACG # _chem_comp.id ACG _chem_comp.name "MODIFIED ACARBOSE PENTASACCHARIDE" _chem_comp.type SACCHARIDE _chem_comp.pdbx_type ATOMS _chem_comp.formula "C31 H53 N O22" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms ? _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 2002-07-08 _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 791.746 _chem_comp.one_letter_code ? _chem_comp.three_letter_code ACG _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 1LWJ _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 ACG C1A C1A C 0 1 N N S 12.218 52.258 24.873 2.003 -1.261 3.248 C1A ACG 1 ACG C2A C2A C 0 1 N N S 12.770 50.841 24.653 1.213 -2.378 3.934 C2A ACG 2 ACG C3A C3A C 0 1 N N R 13.654 50.803 23.389 -0.104 -1.791 4.455 C3A ACG 3 ACG C4A C4A C 0 1 N N R 12.922 51.245 22.105 0.216 -0.810 5.585 C4A ACG 4 ACG C5A C5A C 0 1 N N N 11.718 52.159 22.351 1.290 0.143 5.149 C5A ACG 5 ACG C6A C6A C 0 1 N N N 10.912 52.647 21.148 1.472 1.409 5.945 C6A ACG 6 ACG C7A C7A C 0 1 N N N 11.398 52.607 23.631 2.071 -0.055 4.138 C7A ACG 7 ACG O2A O2A O 0 1 N N N 13.400 50.432 25.834 0.937 -3.421 2.997 O2A ACG 8 ACG O3A O3A O 0 1 N N N 14.110 49.527 23.157 -0.938 -2.839 4.952 O3A ACG 9 ACG O4A O4A O 0 1 N N N 13.959 51.749 21.258 -0.960 -0.074 5.923 O4A ACG 10 ACG O6A O6A O 0 1 N N N 9.567 52.207 21.318 2.457 2.231 5.315 O6A ACG 11 ACG C1B C1B C 0 1 N N R 13.744 57.405 25.928 3.149 0.398 -1.518 C1B ACG 12 ACG C2B C2B C 0 1 N N R 12.296 56.790 25.936 3.867 -0.763 -0.827 C2B ACG 13 ACG C3B C3B C 0 1 N N S 12.338 55.259 26.234 2.912 -1.413 0.180 C3B ACG 14 ACG C4B C4B C 0 1 N N S 13.238 54.563 25.186 2.373 -0.325 1.117 C4B ACG 15 ACG C5B C5B C 0 1 N N R 14.662 55.195 25.306 1.769 0.802 0.278 C5B ACG 16 ACG C6B C6B C 0 1 N N N 15.634 54.603 24.318 1.201 1.878 1.206 C6B ACG 17 ACG N4B N4B N 0 1 N N N 13.307 53.090 25.414 1.339 -0.897 1.990 N4B ACG 18 ACG O2B O2B O 0 1 N N N 11.454 57.504 26.833 4.264 -1.728 -1.803 O2B ACG 19 ACG O3B O3B O 0 1 N N N 11.013 54.758 26.209 3.613 -2.401 0.937 O3B ACG 20 ACG O5B O5B O 0 1 N N N 14.583 56.654 25.051 2.775 1.378 -0.552 O5B ACG 21 ACG C1C C1C C 0 1 N N R 17.259 59.877 29.089 0.224 1.600 -5.496 C1C ACG 22 ACG C2C C2C C 0 1 N N R 15.907 60.365 28.599 1.733 1.830 -5.388 C2C ACG 23 ACG C3C C3C C 0 1 N N R 14.960 59.185 28.301 2.321 0.827 -4.390 C3C ACG 24 ACG C4C C4C C 0 1 N N S 15.616 58.258 27.249 1.548 0.936 -3.071 C4C ACG 25 ACG C5C C5C C 0 1 N N R 16.894 57.731 27.946 0.052 0.774 -3.353 C5C ACG 26 ACG C6C C6C C 0 1 N N N 17.679 56.780 27.052 -0.725 0.851 -2.038 C6C ACG 27 ACG O2C O2C O 0 1 N N N 15.410 61.282 29.551 2.340 1.644 -6.668 O2C ACG 28 ACG O3C O3C O 0 1 N N N 13.737 59.682 27.826 3.700 1.124 -4.162 O3C ACG 29 ACG O4C O4C O 0 1 N N N 14.450 57.342 27.176 1.979 -0.091 -2.177 O4C ACG 30 ACG O5C O5C O 0 1 N N N 17.793 58.873 28.223 -0.389 1.811 -4.226 O5C ACG 31 ACG O6C O6C O 0 1 N N N 18.901 57.354 26.596 -2.117 0.654 -2.296 O6C ACG 32 ACG C1D C1D C 0 1 N N S 19.000 59.782 34.281 -3.281 -0.973 -8.118 C1D ACG 33 ACG C2D C2D C 0 1 N N R 17.794 60.731 33.955 -2.884 0.488 -8.335 C2D ACG 34 ACG C3D C3D C 0 1 N N R 16.994 60.146 32.771 -1.455 0.699 -7.822 C3D ACG 35 ACG C4D C4D C 0 1 N N S 17.928 59.971 31.561 -1.377 0.210 -6.372 C4D ACG 36 ACG C5D C5D C 0 1 N N R 19.125 59.020 31.935 -1.888 -1.230 -6.302 C5D ACG 37 ACG C6D C6D C 0 1 N N N 20.117 58.845 30.788 -1.785 -1.739 -4.862 C6D ACG 38 ACG O1D O1D O 0 1 N Y N 18.530 58.537 34.740 -2.364 -1.822 -8.813 O1D ACG 39 ACG O2D O2D O 0 1 N N N 16.958 60.913 35.109 -2.944 0.800 -9.728 O2D ACG 40 ACG O3D O3D O 0 1 N N N 15.904 61.018 32.437 -1.123 2.088 -7.878 O3D ACG 41 ACG O4D O4D O 0 1 N N N 17.164 59.424 30.464 -0.021 0.258 -5.924 O4D ACG 42 ACG O5D O5D O 0 1 N N N 19.857 59.580 33.079 -3.249 -1.281 -6.726 O5D ACG 43 ACG O6D O6D O 0 1 N N N 21.228 59.710 30.966 -2.199 -3.105 -4.809 O6D ACG 44 ACG C1E C1E C 0 1 N N R 14.113 50.883 19.974 -1.659 -0.840 6.906 C1E ACG 45 ACG C2E C2E C 0 1 N N R 15.591 50.485 19.708 -3.086 -0.307 7.046 C2E ACG 46 ACG C3E C3E C 0 1 N N S 16.353 51.621 18.974 -3.029 1.170 7.450 C3E ACG 47 ACG C4E C4E C 0 1 N N S 15.564 52.037 17.732 -2.157 1.302 8.704 C4E ACG 48 ACG C5E C5E C 0 1 N N R 14.173 52.558 18.191 -0.800 0.647 8.438 C5E ACG 49 ACG C6E C6E C 0 1 N N N 13.307 53.055 17.013 0.090 0.805 9.672 C6E ACG 50 ACG O2E O2E O 0 1 N N N 16.226 50.249 20.951 -3.770 -0.437 5.798 O2E ACG 51 ACG O3E O3E O 0 1 N N N 17.643 51.163 18.611 -4.349 1.642 7.728 O3E ACG 52 ACG O4E O4E O 0 1 N N N 16.284 53.029 17.022 -1.969 2.684 9.013 O4E ACG 53 ACG O5E O5E O 0 1 N N N 13.480 51.472 18.828 -0.980 -0.738 8.156 O5E ACG 54 ACG H1A H1A H 0 1 N N N 11.457 52.432 25.669 3.013 -1.611 3.036 H1A ACG 55 ACG H2A H2A H 0 1 N N N 11.960 50.102 24.448 1.791 -2.777 4.767 H2A ACG 56 ACG H3A H3A H 0 1 N N N 14.483 51.517 23.599 -0.616 -1.266 3.649 H3A ACG 57 ACG H4A H4A H 0 1 N N N 12.397 50.403 21.595 0.558 -1.364 6.459 H4A ACG 58 ACG H6A1 1H6A H 0 0 N N N 10.990 53.748 20.992 0.526 1.948 5.992 H6A1 ACG 59 ACG H6A2 2H6A H 0 0 N N N 11.351 52.328 20.174 1.798 1.160 6.955 H6A2 ACG 60 ACG H7A H7A H 0 1 N N N 10.494 53.238 23.661 2.818 0.693 3.920 H7A ACG 61 ACG HOA2 2HOA H 0 0 N N N 13.741 49.555 25.698 0.426 -4.093 3.470 HOA2 ACG 62 ACG HOA3 3HOA H 0 0 N N N 14.654 49.503 22.378 -1.115 -3.432 4.209 HOA3 ACG 63 ACG HOA6 6HOA H 0 0 N N N 9.065 52.510 20.570 2.485 3.062 5.808 HOA6 ACG 64 ACG H1B H1B H 0 1 N N N 13.567 58.467 25.640 3.816 0.850 -2.253 H1B ACG 65 ACG H2B H2B H 0 1 N N N 11.853 56.900 24.918 4.747 -0.389 -0.304 H2B ACG 66 ACG H3B H3B H 0 1 N N N 12.770 55.057 27.241 2.082 -1.879 -0.350 H3B ACG 67 ACG H4B H4B H 0 1 N N N 12.815 54.712 24.165 3.187 0.067 1.725 H4B ACG 68 ACG H5B H5B H 0 1 N N N 15.026 54.982 26.337 0.969 0.402 -0.344 H5B ACG 69 ACG H6B1 1H6B H 0 0 N N N 16.650 55.054 24.403 0.699 2.642 0.613 H6B1 ACG 70 ACG H6B2 2H6B H 0 0 N N N 15.676 53.492 24.410 0.487 1.424 1.894 H6B2 ACG 71 ACG H6B3 3H6B H 0 0 N N N 15.245 54.679 23.275 2.012 2.334 1.774 H6B3 ACG 72 ACG HN4 HN4 H 0 1 N N N 14.200 52.738 25.068 1.040 -1.759 1.559 HN4 ACG 73 ACG HOB2 2HOB H 0 0 N N N 10.579 57.132 26.837 4.858 -1.275 -2.417 HOB2 ACG 74 ACG HOB3 3HOB H 0 0 N N N 11.038 53.825 26.390 3.942 -3.056 0.305 HOB3 ACG 75 ACG H1C H1C H 0 1 N N N 17.975 60.730 29.065 -0.197 2.294 -6.223 H1C ACG 76 ACG H2C H2C H 0 1 N N N 15.999 60.896 27.622 1.922 2.845 -5.039 H2C ACG 77 ACG H3C H3C H 0 1 N N N 14.772 58.598 29.230 2.225 -0.183 -4.787 H3C ACG 78 ACG H4C H4C H 0 1 N N N 15.972 58.590 26.246 1.730 1.912 -2.620 H4C ACG 79 ACG H5C H5C H 0 1 N N N 16.570 57.199 28.871 -0.122 -0.193 -3.822 H5C ACG 80 ACG H6C1 1H6C H 0 0 N N N 17.857 55.803 27.560 -0.369 0.076 -1.359 H6C1 ACG 81 ACG H6C2 2H6C H 0 0 N N N 17.057 56.424 26.197 -0.575 1.830 -1.583 H6C2 ACG 82 ACG HOC2 2HOC H 0 0 N N N 14.564 61.587 29.244 1.942 2.293 -7.263 HOC2 ACG 83 ACG HOC3 3HOC H 0 0 N N N 13.153 58.955 27.642 4.148 1.043 -5.016 HOC3 ACG 84 ACG HOC6 6HOC H 0 0 N N N 19.390 56.760 26.038 -2.570 0.710 -1.443 HOC6 ACG 85 ACG H1D H1D H 0 1 N N N 19.611 60.263 35.079 -4.288 -1.136 -8.503 H1D ACG 86 ACG H2D H2D H 0 1 N N N 18.182 61.736 33.668 -3.568 1.136 -7.787 H2D ACG 87 ACG H3D H3D H 0 1 N N N 16.577 59.152 33.058 -0.758 0.131 -8.438 H3D ACG 88 ACG H4D H4D H 0 1 N N N 18.353 60.956 31.260 -1.994 0.847 -5.738 H4D ACG 89 ACG H5D H5D H 0 1 N N N 18.682 58.025 32.175 -1.282 -1.860 -6.953 H5D ACG 90 ACG H6D1 1H6D H 0 0 N N N 20.431 57.782 30.667 -0.752 -1.658 -4.522 H6D1 ACG 91 ACG H6D2 2H6D H 0 0 N N N 19.633 58.986 29.793 -2.428 -1.139 -4.218 H6D2 ACG 92 ACG HOD1 1HOD H 0 0 N N N 19.260 57.962 34.937 -2.648 -2.732 -8.651 HOD1 ACG 93 ACG HOD2 2HOD H 0 0 N N N 16.227 61.487 34.911 -3.858 0.654 -10.009 HOD2 ACG 94 ACG HOD3 3HOD H 0 0 N N N 15.411 60.658 31.708 -1.184 2.353 -8.806 HOD3 ACG 95 ACG HOD6 6HOD H 0 0 N N N 21.845 59.601 30.252 -2.118 -3.386 -3.887 HOD6 ACG 96 ACG H1E H1E H 0 1 N N N 13.562 49.932 20.167 -1.691 -1.885 6.596 H1E ACG 97 ACG H2E H2E H 0 1 N N N 15.604 49.572 19.067 -3.614 -0.874 7.813 H2E ACG 98 ACG H3E H3E H 0 1 N N N 16.461 52.504 19.645 -2.595 1.755 6.638 H3E ACG 99 ACG H4E H4E H 0 1 N N N 15.417 51.171 17.044 -2.646 0.804 9.541 H4E ACG 100 ACG H5E H5E H 0 1 N N N 14.339 53.419 18.879 -0.325 1.132 7.584 H5E ACG 101 ACG H6E1 1H6E H 0 0 N N N 12.309 53.428 17.342 1.019 0.254 9.522 H6E1 ACG 102 ACG H6E2 2H6E H 0 0 N N N 13.847 53.826 16.416 0.314 1.860 9.826 H6E2 ACG 103 ACG H6E3 3H6E H 0 0 N N N 13.201 52.265 16.232 -0.427 0.412 10.546 H6E3 ACG 104 ACG HOE2 2HOE H 0 0 N N N 17.129 50.005 20.788 -3.776 -1.379 5.580 HOE2 ACG 105 ACG HOE3 3HOE H 0 0 N N N 18.109 51.858 18.161 -4.863 1.529 6.917 HOE3 ACG 106 ACG HOE4 4HOE H 0 0 N N N 15.793 53.287 16.250 -1.417 2.721 9.805 HOE4 ACG 107 # 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 ACG C1A C2A SING N N 1 ACG C1A C7A SING N N 2 ACG C1A N4B SING N N 3 ACG C1A H1A SING N N 4 ACG C2A C3A SING N N 5 ACG C2A O2A SING N N 6 ACG C2A H2A SING N N 7 ACG C3A C4A SING N N 8 ACG C3A O3A SING N N 9 ACG C3A H3A SING N N 10 ACG C4A C5A SING N N 11 ACG C4A O4A SING N N 12 ACG C4A H4A SING N N 13 ACG C5A C6A SING N N 14 ACG C5A C7A DOUB N N 15 ACG C6A O6A SING N N 16 ACG C6A H6A1 SING N N 17 ACG C6A H6A2 SING N N 18 ACG C7A H7A SING N N 19 ACG O2A HOA2 SING N N 20 ACG O3A HOA3 SING N N 21 ACG O4A C1E SING N N 22 ACG O6A HOA6 SING N N 23 ACG C1B C2B SING N N 24 ACG C1B O5B SING N N 25 ACG C1B O4C SING N N 26 ACG C1B H1B SING N N 27 ACG C2B C3B SING N N 28 ACG C2B O2B SING N N 29 ACG C2B H2B SING N N 30 ACG C3B C4B SING N N 31 ACG C3B O3B SING N N 32 ACG C3B H3B SING N N 33 ACG C4B C5B SING N N 34 ACG C4B N4B SING N N 35 ACG C4B H4B SING N N 36 ACG C5B C6B SING N N 37 ACG C5B O5B SING N N 38 ACG C5B H5B SING N N 39 ACG C6B H6B1 SING N N 40 ACG C6B H6B2 SING N N 41 ACG C6B H6B3 SING N N 42 ACG N4B HN4 SING N N 43 ACG O2B HOB2 SING N N 44 ACG O3B HOB3 SING N N 45 ACG C1C C2C SING N N 46 ACG C1C O5C SING N N 47 ACG C1C O4D SING N N 48 ACG C1C H1C SING N N 49 ACG C2C C3C SING N N 50 ACG C2C O2C SING N N 51 ACG C2C H2C SING N N 52 ACG C3C C4C SING N N 53 ACG C3C O3C SING N N 54 ACG C3C H3C SING N N 55 ACG C4C C5C SING N N 56 ACG C4C O4C SING N N 57 ACG C4C H4C SING N N 58 ACG C5C C6C SING N N 59 ACG C5C O5C SING N N 60 ACG C5C H5C SING N N 61 ACG C6C O6C SING N N 62 ACG C6C H6C1 SING N N 63 ACG C6C H6C2 SING N N 64 ACG O2C HOC2 SING N N 65 ACG O3C HOC3 SING N N 66 ACG O6C HOC6 SING N N 67 ACG C1D C2D SING N N 68 ACG C1D O1D SING N N 69 ACG C1D O5D SING N N 70 ACG C1D H1D SING N N 71 ACG C2D C3D SING N N 72 ACG C2D O2D SING N N 73 ACG C2D H2D SING N N 74 ACG C3D C4D SING N N 75 ACG C3D O3D SING N N 76 ACG C3D H3D SING N N 77 ACG C4D C5D SING N N 78 ACG C4D O4D SING N N 79 ACG C4D H4D SING N N 80 ACG C5D C6D SING N N 81 ACG C5D O5D SING N N 82 ACG C5D H5D SING N N 83 ACG C6D O6D SING N N 84 ACG C6D H6D1 SING N N 85 ACG C6D H6D2 SING N N 86 ACG O1D HOD1 SING N N 87 ACG O2D HOD2 SING N N 88 ACG O3D HOD3 SING N N 89 ACG O6D HOD6 SING N N 90 ACG C1E C2E SING N N 91 ACG C1E O5E SING N N 92 ACG C1E H1E SING N N 93 ACG C2E C3E SING N N 94 ACG C2E O2E SING N N 95 ACG C2E H2E SING N N 96 ACG C3E C4E SING N N 97 ACG C3E O3E SING N N 98 ACG C3E H3E SING N N 99 ACG C4E C5E SING N N 100 ACG C4E O4E SING N N 101 ACG C4E H4E SING N N 102 ACG C5E C6E SING N N 103 ACG C5E O5E SING N N 104 ACG C5E H5E SING N N 105 ACG C6E H6E1 SING N N 106 ACG C6E H6E2 SING N N 107 ACG C6E H6E3 SING N N 108 ACG O2E HOE2 SING N N 109 ACG O3E HOE3 SING N N 110 ACG O4E HOE4 SING N N 111 # 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 ACG SMILES ACDLabs 10.04 "O(C1C(OC(O)C(O)C1O)CO)C5OC(C(OC4OC(C)C(NC3C=C(CO)C(OC2OC(C)C(O)C(O)C2O)C(O)C3O)C(O)C4O)C(O)C5O)CO" ACG SMILES_CANONICAL CACTVS 3.341 "C[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](N[C@@H]3[C@@H](C)O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]5CO)[C@H](O)[C@H]3O)C=C2CO)[C@H](O)[C@@H](O)[C@@H]1O" ACG SMILES CACTVS 3.341 "C[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](N[CH]3[CH](C)O[CH](O[CH]4[CH](O)[CH](O)[CH](O[CH]4CO)O[CH]5[CH](O)[CH](O)[CH](O)O[CH]5CO)[CH](O)[CH]3O)C=C2CO)[CH](O)[CH](O)[CH]1O" ACG SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 "C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O)CO)CO)O)O)N[C@H]4C=C([C@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C)O)O)O)CO" ACG SMILES "OpenEye OEToolkits" 1.5.0 "CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)O)CO)CO)O)O)NC4C=C(C(C(C4O)O)OC5C(C(C(C(O5)C)O)O)O)CO" ACG InChI InChI 1.03 ;InChI=1S/C31H53NO22/c1-7-13(32-10-3-9(4-33)25(18(40)15(10)37)52-30-23(45)17(39)14(36)8(2)49-30)16(38)22(44)29(48-7)53-27-12(6-35)51-31(24(46)20(27)42)54-26-11(5-34)50-28(47)21(43)19(26)41/h3,7-8,10-47H,4-6H2,1-2H3/t7-,8-,10+,11-,12-,13-,14-,15+,16+,17+,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28+,29-,30-,31-/m1/s1 ; ACG InChIKey InChI 1.03 QWNATFSCUHKKDP-WYKVUHPSSA-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 ACG "SYSTEMATIC NAME" ACDLabs 10.04 "4,6-dideoxy-4-{[(1S,4R,5R,6S)-4-[(6-deoxy-alpha-D-glucopyranosyl)oxy]-5,6-dihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranose" ACG "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 ;(2S,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-5-[[(1S,4R,5R,6S)-5,6-dihydroxy-3-(hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxy-1-cyclohex-2-enyl]amino]-3,4-dihydroxy-6-methyl-oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol ; # loop_ _pdbx_chem_comp_audit.comp_id _pdbx_chem_comp_audit.action_type _pdbx_chem_comp_audit.date _pdbx_chem_comp_audit.processing_site ACG "Create component" 2002-07-08 RCSB ACG "Modify descriptor" 2011-06-04 RCSB #