data_M5Z # _chem_comp.id M5Z _chem_comp.name "(1R,2R,3S,4R,6S)-4,6-diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-beta-D-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-2-deoxy-4,6-O-[(1R)-3-phenylpropylidene]-alpha-D-glucopyranoside" _chem_comp.type NON-POLYMER _chem_comp.pdbx_type HETAIN _chem_comp.formula "C32 H53 N5 O14" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms ? _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 2012-07-26 _chem_comp.pdbx_modified_date 2013-08-02 _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 731.788 _chem_comp.one_letter_code ? _chem_comp.three_letter_code M5Z _chem_comp.pdbx_model_coordinates_details ? _chem_comp.pdbx_model_coordinates_missing_flag N _chem_comp.pdbx_ideal_coordinates_details Corina _chem_comp.pdbx_ideal_coordinates_missing_flag N _chem_comp.pdbx_model_coordinates_db_code 4B3R _chem_comp.pdbx_subcomponent_list "04O CYY BDR IDG" _chem_comp.pdbx_processing_site EBI # 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 M5Z C11 C11 C 0 1 N N S 190.488 87.787 -11.158 1.078 0.175 -0.414 C11 04O 1 M5Z O11 O11 O 0 1 N N N 191.467 88.843 -10.959 1.305 1.252 0.497 O11 04O 2 M5Z C16 C16 C 0 1 Y N N 191.561 85.290 -2.677 9.655 -1.732 -0.563 C16 04O 3 M5Z C21 C21 C 0 1 N N R 189.136 88.160 -10.493 1.098 -1.150 0.350 C21 04O 4 M5Z N21 N21 N 0 1 N N N 188.617 89.405 -11.056 0.105 -1.105 1.432 N21 04O 5 M5Z C26 C26 C 0 1 Y N N 192.054 86.597 -2.271 10.186 -2.984 -0.314 C26 04O 6 M5Z C31 C31 C 0 1 N N R 189.316 88.300 -8.978 2.492 -1.381 0.947 C31 04O 7 M5Z O31 O31 O 0 1 N N N 188.059 88.624 -8.340 2.537 -2.660 1.582 O31 04O 8 M5Z C35 C35 C 0 1 N N N 190.803 86.142 -4.934 7.229 -1.551 -0.081 C35 04O 9 M5Z C36 C36 C 0 1 Y N N 192.230 86.909 -0.888 11.440 -3.102 0.257 C36 04O 10 M5Z C41 C41 C 0 1 N N S 189.874 86.998 -8.409 3.517 -1.334 -0.186 C41 04O 11 M5Z O41 O41 O 0 1 N N N 190.072 87.119 -6.993 4.845 -1.489 0.313 O41 04O 12 M5Z C45 C45 C 0 1 N N N 191.375 84.944 -4.174 8.289 -1.603 -1.184 C45 04O 13 M5Z C46 C46 C 0 1 Y N N 191.922 85.931 0.100 12.163 -1.969 0.577 C46 04O 14 M5Z C51 C51 C 0 1 N N R 191.206 86.665 -9.115 3.414 0.029 -0.884 C51 04O 15 M5Z O51 O51 O 0 1 N N N 191.004 86.545 -10.576 2.100 0.177 -1.417 O51 04O 16 M5Z C56 C56 C 0 1 Y N N 191.434 84.635 -0.297 11.633 -0.717 0.328 C56 04O 17 M5Z C61 C61 C 0 1 N N N 191.746 85.363 -8.512 4.470 0.087 -1.989 C61 04O 18 M5Z O61 O61 O 0 1 N N N 191.909 85.575 -7.078 5.751 -0.173 -1.402 O61 04O 19 M5Z C66 C66 C 0 1 Y N N 191.252 84.313 -1.679 10.376 -0.599 -0.236 C66 04O 20 M5Z CBJ CBJ C 0 1 N N R 190.611 85.892 -6.434 5.842 -1.420 -0.713 CBJ 04O 21 M5Z C12 C12 C 0 1 N N R 193.651 91.065 -13.977 0.234 5.339 0.252 C1 CYY 22 M5Z C22 C22 C 0 1 N N N 194.383 90.607 -12.703 1.699 4.959 0.027 C2 CYY 23 M5Z C32 C32 C 0 1 N N S 193.346 90.245 -11.606 1.963 3.574 0.622 C3 CYY 24 M5Z C42 C42 C 0 1 N N R 192.408 89.116 -12.079 1.058 2.545 -0.059 C4 CYY 25 M5Z C52 C52 C 0 1 N N R 191.672 89.607 -13.380 -0.406 2.926 0.166 C5 CYY 26 M5Z C62 C62 C 0 1 N N S 192.711 89.940 -14.475 -0.671 4.310 -0.429 C6 CYY 27 M5Z N12 N12 N 0 1 N N N 194.645 91.398 -15.003 -0.020 6.669 -0.319 N1 CYY 28 M5Z N32 N32 N 0 1 N N N 194.053 89.804 -10.395 3.369 3.209 0.406 N3 CYY 29 M5Z O52 O52 O 0 1 N N N 190.828 88.529 -13.850 -1.251 1.965 -0.470 O5 CYY 30 M5Z O62 O62 O 0 1 N N N 192.047 90.396 -15.653 -2.039 4.666 -0.219 O6 CYY 31 M5Z C43 C43 C 0 1 N N R 187.377 88.647 -14.570 -3.634 0.563 1.762 C4 BDR 32 M5Z O43 O43 O 0 1 N N N 188.512 89.142 -13.805 -2.342 1.127 1.446 O BDR 33 M5Z C13 C13 C 0 1 N N S 189.683 88.936 -14.613 -2.515 1.786 0.173 C1 BDR 34 M5Z C23 C23 C 0 1 N N R 189.304 87.796 -15.537 -3.405 0.828 -0.649 C2 BDR 35 M5Z O23 O23 O 0 1 N N N 190.181 87.760 -16.661 -4.327 1.567 -1.453 O2 BDR 36 M5Z "C3'" "C3'" C 0 1 N N S 187.892 88.114 -15.889 -4.158 0.005 0.420 C3 BDR 37 M5Z O33 O33 O 0 1 N N N 187.915 89.112 -16.953 -5.568 0.211 0.310 O3 BDR 38 M5Z C53 C53 C 0 1 N N N 186.676 87.526 -13.796 -3.487 -0.563 2.786 C5 BDR 39 M5Z O53 O53 O 0 1 N N N 186.540 87.916 -12.442 -3.042 -0.021 4.031 O5 BDR 40 M5Z C54 C54 C 0 1 N N S 184.271 89.371 -17.639 -6.853 -3.040 -0.694 C5 IDG 41 M5Z O54 O54 O 0 1 N N N 185.530 89.399 -16.897 -6.236 -2.014 0.087 O5 IDG 42 M5Z C14 C14 C 0 1 N N R 186.701 89.076 -17.737 -6.228 -0.730 -0.540 C1 IDG 43 M5Z C24 C24 C 0 1 N N R 186.804 90.088 -18.919 -7.669 -0.274 -0.784 C2 IDG 44 M5Z N24 N24 N 0 1 N N N 187.019 91.449 -18.396 -8.365 -0.136 0.502 N2 IDG 45 M5Z C34 C34 C 0 1 N N R 185.495 90.026 -19.741 -8.387 -1.317 -1.646 C3 IDG 46 M5Z O34 O34 O 0 1 N N N 185.325 88.681 -20.249 -7.750 -1.405 -2.921 O3 IDG 47 M5Z C44 C44 C 0 1 N N S 184.296 90.363 -18.831 -8.319 -2.677 -0.944 C4 IDG 48 M5Z O44 O44 O 0 1 N N N 184.420 91.704 -18.328 -9.013 -2.606 0.303 O4 IDG 49 M5Z C64 C64 C 0 1 N N N 183.107 89.718 -16.719 -6.778 -4.369 0.061 C6 IDG 50 M5Z N64 N64 N 0 1 N N N 183.118 88.784 -15.593 -5.371 -4.717 0.302 N6 IDG 51 M5Z H11 H11 H 0 1 N N N 190.315 87.642 -12.235 0.106 0.303 -0.891 H11 04O 52 M5Z H21 H21 H 0 1 N N N 188.422 87.346 -10.686 0.856 -1.965 -0.331 H21 04O 53 M5Z HN21 HN21 H 0 0 N N N 187.747 89.632 -10.618 -0.823 -0.957 1.065 HN21 04O 54 M5Z HN2A HN2A H 0 0 N N N 189.273 90.142 -10.895 0.143 -1.943 1.993 HN2A 04O 55 M5Z H26 H26 H 0 1 N N N 192.289 87.338 -3.021 9.621 -3.870 -0.564 H26 04O 56 M5Z H31 H31 H 0 1 N N N 190.043 89.103 -8.788 2.712 -0.601 1.677 H31 04O 57 M5Z HO31 HO31 H 0 0 N N N 188.191 88.706 -7.403 1.899 -2.764 2.302 HO31 04O 58 M5Z H35 H35 H 0 1 N N N 189.826 86.395 -4.497 7.275 -2.466 0.509 H35 04O 59 M5Z H35A H35A H 0 0 N N N 191.491 86.991 -4.810 7.418 -0.693 0.563 H35A 04O 60 M5Z H36 H36 H 0 1 N N N 192.595 87.882 -0.593 11.854 -4.080 0.452 H36 04O 61 M5Z H41 H41 H 0 1 N N N 189.159 86.189 -8.618 3.303 -2.127 -0.903 H41 04O 62 M5Z H45 H45 H 0 1 N N N 192.349 84.673 -4.607 8.243 -0.688 -1.775 H45 04O 63 M5Z H45A H45A H 0 0 N N N 190.683 84.093 -4.266 8.100 -2.462 -1.829 H45A 04O 64 M5Z H46 H46 H 0 1 N N N 192.054 86.161 1.147 13.142 -2.061 1.024 H46 04O 65 M5Z H51 H51 H 0 1 N N N 191.923 87.473 -8.910 3.604 0.822 -0.161 H51 04O 66 M5Z H56 H56 H 0 1 N N N 191.203 83.898 0.458 12.197 0.169 0.579 H56 04O 67 M5Z H61 H61 H 0 1 N N N 191.035 84.543 -8.691 4.252 -0.668 -2.745 H61 04O 68 M5Z H61A H61A H 0 0 N N N 192.716 85.113 -8.967 4.469 1.077 -2.446 H61A 04O 69 M5Z H66 H66 H 0 1 N N N 190.884 83.339 -1.967 9.961 0.380 -0.431 H66 04O 70 M5Z HBJ HBJ H 0 1 N N N 189.905 85.060 -6.578 5.689 -2.235 -1.421 HBJ 04O 71 M5Z H12 H12 H 0 1 N N N 193.046 91.953 -13.741 0.023 5.357 1.321 H1 CYY 72 M5Z H22 H22 H 0 1 N N N 194.997 89.723 -12.932 1.909 4.941 -1.042 H21 CYY 73 M5Z H22A H22A H 0 0 N N N 195.030 91.420 -12.341 2.343 5.692 0.512 H22 CYY 74 M5Z H32 H32 H 0 1 N N N 192.743 91.137 -11.382 1.752 3.592 1.691 H3 CYY 75 M5Z H42 H42 H 0 1 N N N 192.998 88.217 -12.313 1.269 2.528 -1.128 H4 CYY 76 M5Z H52 H52 H 0 1 N N N 191.078 90.503 -13.147 -0.617 2.944 1.235 H5 CYY 77 M5Z H62 H62 H 0 1 N N N 193.309 89.041 -14.688 -0.460 4.293 -1.498 H6 CYY 78 M5Z HN12 HN12 H 0 0 N N N 194.178 91.697 -15.835 0.566 7.366 0.114 HN11 CYY 79 M5Z HN1A HN1A H 0 0 N N N 195.235 92.133 -14.669 0.106 6.662 -1.320 HN12 CYY 80 M5Z HN32 HN32 H 0 0 N N N 193.387 89.570 -9.686 3.987 3.927 0.753 HN31 CYY 81 M5Z HN3A HN3A H 0 0 N N N 194.609 89.001 -10.608 3.580 2.317 0.827 HN32 CYY 82 M5Z HO62 HO62 H 0 0 N N N 191.465 89.716 -15.972 -2.278 5.534 -0.572 HO6 CYY 83 M5Z H43 H43 H 0 1 N N N 186.660 89.460 -14.758 -4.303 1.336 2.141 H4 BDR 84 M5Z H13 H13 H 0 1 N N N 189.909 89.834 -15.207 -3.013 2.746 0.307 H1 BDR 85 M5Z H23 H23 H 0 1 N N N 189.344 86.847 -14.982 -2.793 0.177 -1.273 H2 BDR 86 M5Z HO23 HO23 H 0 0 N N N 189.934 87.042 -17.233 -3.906 2.148 -2.102 HO2 BDR 87 M5Z "H3'" "H3'" H 0 1 N N N 187.342 87.210 -16.190 -3.920 -1.054 0.325 H3 BDR 88 M5Z H53 H53 H 0 1 N N N 185.681 87.345 -14.229 -4.450 -1.054 2.928 H51 BDR 89 M5Z H53A H53A H 0 0 N N N 187.275 86.606 -13.856 -2.759 -1.290 2.426 H52 BDR 90 M5Z HO53 HO53 H 0 0 N N N 186.106 87.225 -11.955 -2.927 -0.680 4.729 H5 BDR 91 M5Z H54 H54 H 0 1 N N N 184.108 88.359 -18.039 -6.333 -3.134 -1.647 H5 IDG 92 M5Z H14 H14 H 0 1 N N N 186.570 88.070 -18.162 -5.701 -0.793 -1.492 H1 IDG 93 M5Z H24 H24 H 0 1 N N N 187.646 89.796 -19.564 -7.665 0.686 -1.301 H2 IDG 94 M5Z HN24 HN24 H 0 0 N N N 187.084 92.093 -19.158 -7.906 0.544 1.090 HN21 IDG 95 M5Z HN2B HN2B H 0 0 N N N 186.252 91.705 -17.808 -9.336 0.102 0.364 HN22 IDG 96 M5Z H34 H34 H 0 1 N N N 185.546 90.752 -20.566 -9.429 -1.026 -1.778 H3 IDG 97 M5Z HO34 HO34 H 0 0 N N N 184.523 88.632 -20.756 -8.153 -2.048 -3.520 HO3 IDG 98 M5Z H44 H44 H 0 1 N N N 183.366 90.252 -19.407 -8.780 -3.436 -1.575 H4 IDG 99 M5Z HO44 HO44 H 0 0 N N N 183.678 91.903 -17.769 -9.948 -2.376 0.220 HO4 IDG 100 M5Z H64 H64 H 0 1 N N N 183.219 90.748 -16.349 -7.298 -4.276 1.014 H61 IDG 101 M5Z H64A H64A H 0 0 N N N 182.158 89.627 -17.269 -7.248 -5.152 -0.535 H62 IDG 102 M5Z HN64 HN64 H 0 0 N N N 182.360 88.996 -14.976 -4.896 -3.977 0.797 HN61 IDG 103 M5Z HN6A HN6A H 0 0 N N N 183.019 87.849 -15.934 -5.295 -5.591 0.799 HN62 IDG 104 # 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 M5Z C11 O11 SING N N 1 M5Z C11 C21 SING N N 2 M5Z C11 O51 SING N N 3 M5Z O11 C42 SING N N 4 M5Z C12 N12 SING N N 5 M5Z C12 C22 SING N N 6 M5Z C12 C62 SING N N 7 M5Z C13 C23 SING N N 8 M5Z C13 O43 SING N N 9 M5Z C13 O52 SING N N 10 M5Z C14 C24 SING N N 11 M5Z C14 O33 SING N N 12 M5Z C14 O54 SING N N 13 M5Z C16 C26 DOUB Y N 14 M5Z C16 C45 SING N N 15 M5Z C16 C66 SING Y N 16 M5Z C21 N21 SING N N 17 M5Z C21 C31 SING N N 18 M5Z C22 C32 SING N N 19 M5Z C23 O23 SING N N 20 M5Z C23 "C3'" SING N N 21 M5Z C24 N24 SING N N 22 M5Z C24 C34 SING N N 23 M5Z C26 C36 SING Y N 24 M5Z "C3'" O33 SING N N 25 M5Z "C3'" C43 SING N N 26 M5Z C31 O31 SING N N 27 M5Z C31 C41 SING N N 28 M5Z C32 N32 SING N N 29 M5Z C32 C42 SING N N 30 M5Z C34 O34 SING N N 31 M5Z C34 C44 SING N N 32 M5Z C35 C45 SING N N 33 M5Z C35 CBJ SING N N 34 M5Z C36 C46 DOUB Y N 35 M5Z C41 O41 SING N N 36 M5Z C41 C51 SING N N 37 M5Z O41 CBJ SING N N 38 M5Z C42 C52 SING N N 39 M5Z C43 O43 SING N N 40 M5Z C43 C53 SING N N 41 M5Z C44 O44 SING N N 42 M5Z C44 C54 SING N N 43 M5Z C46 C56 SING Y N 44 M5Z C51 O51 SING N N 45 M5Z C51 C61 SING N N 46 M5Z C52 O52 SING N N 47 M5Z C52 C62 SING N N 48 M5Z C53 O53 SING N N 49 M5Z C54 O54 SING N N 50 M5Z C54 C64 SING N N 51 M5Z C56 C66 DOUB Y N 52 M5Z C61 O61 SING N N 53 M5Z O61 CBJ SING N N 54 M5Z C62 O62 SING N N 55 M5Z C64 N64 SING N N 56 M5Z C11 H11 SING N N 57 M5Z C12 H12 SING N N 58 M5Z N12 HN12 SING N N 59 M5Z N12 HN1A SING N N 60 M5Z C13 H13 SING N N 61 M5Z C14 H14 SING N N 62 M5Z C21 H21 SING N N 63 M5Z N21 HN21 SING N N 64 M5Z N21 HN2A SING N N 65 M5Z C22 H22 SING N N 66 M5Z C22 H22A SING N N 67 M5Z C23 H23 SING N N 68 M5Z O23 HO23 SING N N 69 M5Z C24 H24 SING N N 70 M5Z N24 HN24 SING N N 71 M5Z N24 HN2B SING N N 72 M5Z C26 H26 SING N N 73 M5Z "C3'" "H3'" SING N N 74 M5Z C31 H31 SING N N 75 M5Z O31 HO31 SING N N 76 M5Z C32 H32 SING N N 77 M5Z N32 HN32 SING N N 78 M5Z N32 HN3A SING N N 79 M5Z C34 H34 SING N N 80 M5Z O34 HO34 SING N N 81 M5Z C35 H35 SING N N 82 M5Z C35 H35A SING N N 83 M5Z C36 H36 SING N N 84 M5Z C41 H41 SING N N 85 M5Z C42 H42 SING N N 86 M5Z C43 H43 SING N N 87 M5Z C44 H44 SING N N 88 M5Z O44 HO44 SING N N 89 M5Z C45 H45 SING N N 90 M5Z C45 H45A SING N N 91 M5Z C46 H46 SING N N 92 M5Z C51 H51 SING N N 93 M5Z C52 H52 SING N N 94 M5Z C53 H53 SING N N 95 M5Z C53 H53A SING N N 96 M5Z O53 HO53 SING N N 97 M5Z C54 H54 SING N N 98 M5Z C56 H56 SING N N 99 M5Z C61 H61 SING N N 100 M5Z C61 H61A SING N N 101 M5Z C62 H62 SING N N 102 M5Z O62 HO62 SING N N 103 M5Z C64 H64 SING N N 104 M5Z C64 H64A SING N N 105 M5Z N64 HN64 SING N N 106 M5Z N64 HN6A SING N N 107 M5Z C66 H66 SING N N 108 M5Z CBJ HBJ SING N N 109 # 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 M5Z InChI InChI 1.03 ;InChI=1S/C32H53N5O14/c33-9-15-22(40)23(41)19(36)30(45-15)50-27-16(10-38)46-32(25(27)43)51-29-21(39)13(34)8-14(35)26(29)49-31-20(37)24(42)28-17(47-31)11-44-18(48-28)7-6-12-4-2-1-3-5-12/h1-5,13-32,38-43H,6-11,33-37H2/t13-,14+,15+,16-,17-,18-,19-,20-,21+,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32+/m1/s1 ; M5Z InChIKey InChI 1.03 JVOSAEIJIXVWJU-TZWNKDFKSA-N M5Z SMILES ACDLabs 12.01 "O4C(OC3C(N)CC(N)C(O)C3OC2OC(CO)C(OC1OC(CN)C(O)C(O)C1N)C2O)C(N)C(O)C5OC(OCC45)CCc6ccccc6" M5Z SMILES_CANONICAL CACTVS 3.370 "NC[C@@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]4O[C@@H]5CO[C@@H](CCc6ccccc6)O[C@H]5[C@H](O)[C@H]4N)[C@@H]2O)[C@H](N)[C@@H](O)[C@@H]1O" M5Z SMILES CACTVS 3.370 "NC[CH]1O[CH](O[CH]2[CH](CO)O[CH](O[CH]3[CH](O)[CH](N)C[CH](N)[CH]3O[CH]4O[CH]5CO[CH](CCc6ccccc6)O[CH]5[CH](O)[CH]4N)[CH]2O)[CH](N)[CH](O)[CH]1O" M5Z SMILES_CANONICAL "OpenEye OEToolkits" 1.7.6 "c1ccc(cc1)CC[C@@H]2OC[C@@H]3[C@@H](O2)[C@@H]([C@H]([C@H](O3)O[C@@H]4[C@H](C[C@H]([C@@H]([C@H]4O[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O[C@@H]6[C@@H]([C@H]([C@@H]([C@@H](O6)CN)O)O)N)O)O)N)N)N)O" M5Z SMILES "OpenEye OEToolkits" 1.7.6 "c1ccc(cc1)CCC2OCC3C(O2)C(C(C(O3)OC4C(CC(C(C4OC5C(C(C(O5)CO)OC6C(C(C(C(O6)CN)O)O)N)O)O)N)N)N)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 M5Z "SYSTEMATIC NAME" ACDLabs 12.01 "(1R,2R,3S,4R,6S)-4,6-diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-beta-D-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-2-deoxy-4,6-O-[(1R)-3-phenylpropylidene]-alpha-D-glucopyranoside" M5Z "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.7.6 ;(2S,3S,4R,5R,6R)-6-[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-2-[[(2R,4aR,6S,7R,8R,8aS)-7-azanyl-8-oxidanyl-2-(2-phenylethyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-3,5-bis(azanyl)-6-oxidanyl-cyclohexyl]oxy-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl]oxy-2-(aminomethyl)-5-azanyl-oxane-3,4-diol ; # loop_ _pdbx_chem_comp_audit.comp_id _pdbx_chem_comp_audit.action_type _pdbx_chem_comp_audit.date _pdbx_chem_comp_audit.processing_site M5Z "Create component" 2012-07-26 EBI M5Z "Initial release" 2013-08-07 RCSB #