data_LIV
# 
_chem_comp.id                                    LIV 
_chem_comp.name                                  
;(2R,3S,4S,5S,6R)-2-((2S,3S,4R,5R,6R)-5-AMINO-2-(AMINOMETHYL)-6-((2R,3S,4R,5S)-5-((1R,2R,3S,5R,6S)-3,5-DIAMINO-2-((2S,3R,5S,6R)-3-AMINO-5-HYDROXY-6-(HYDROXYMETHYL)-TETRAHYDRO-2H-PYRAN-2-YLOXY)-6-HYDROXYCYCLOHEXYLOXY)-4-HYDROXY-2-(HYDROXYMETHYL)-TETRAHYDROFURAN-3-YLOXY)-4-HYDROXY-TETRAHYDRO-2H-PYRAN-3-YLOXY)-6-(HYDROXYMETHYL)-TETRAHYDRO-2H-PYRAN-3,4,5-TRIOL
;
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAD 
_chem_comp.formula                               "C29 H55 N5 O18" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         "LIVIDOMYCIN A; O-2-AMINO-2,3-DIDEOXY-ALPHA-D-GLUCOPYRANOSYL-(1,4)-O-[BETA-D-MANNOPYRANOSYL-(1,4)-O-2,6-DIAMINO-2,6-DIDEOXY-BETA-L-IDOPYRANOSYL-(1,3)-BETA-D-RIBOFURANOSYL-(1,5)-2-DEOXY-D-STREPTAMINE" 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2005-11-16 
_chem_comp.pdbx_modified_date                    2008-10-14 
_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                        761.770 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     LIV 
_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        2ESJ 
_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 
LIV C11  C11  C 0 1 N N S 17.193 -6.584  18.725 -4.807 1.406  -0.569 C11  LIV 1   
LIV O11  O11  O 0 1 N N N 17.705 -7.893  19.040 -5.277 0.670  0.563  O11  LIV 2   
LIV C21  C21  C 0 1 N N R 17.889 -5.567  19.677 -4.021 2.629  -0.091 C21  LIV 3   
LIV N21  N21  N 0 1 N N N 19.347 -5.622  19.575 -2.861 2.191  0.696  N21  LIV 4   
LIV C31  C31  C 0 1 N N N 17.452 -5.801  21.158 -4.932 3.499  0.781  C31  LIV 5   
LIV C41  C41  C 0 1 N N S 15.897 -5.761  21.236 -6.209 3.813  -0.006 C41  LIV 6   
LIV O41  O41  O 0 1 N N N 15.433 -5.890  22.568 -7.137 4.498  0.837  O41  LIV 7   
LIV C51  C51  C 0 1 N N R 15.334 -6.880  20.325 -6.831 2.501  -0.491 C51  LIV 8   
LIV O51  O51  O 0 1 N N N 15.766 -6.589  18.965 -5.920 1.826  -1.356 O51  LIV 9   
LIV C61  C61  C 0 1 N N N 13.844 -6.906  20.284 -8.124 2.803  -1.250 C61  LIV 10  
LIV O61  O61  O 0 1 N N N 13.464 -7.943  19.412 -8.759 1.576  -1.615 O61  LIV 11  
LIV C12  C12  C 0 1 N N R 19.438 -11.155 16.885 -6.089 -3.483 0.519  C12  LIV 12  
LIV N12  N12  N 0 1 N N N 19.679 -12.305 15.998 -6.497 -4.806 0.027  N12  LIV 13  
LIV C62  C62  C 0 1 N N S 19.094 -9.875  16.042 -4.921 -2.964 -0.322 C62  LIV 14  
LIV O62  O62  O 0 1 N N N 20.240 -9.580  15.200 -3.821 -3.870 -0.221 O62  LIV 15  
LIV C52  C52  C 0 1 N N R 18.871 -8.635  16.972 -4.496 -1.587 0.191  C52  LIV 16  
LIV O52  O52  O 0 1 N N N 18.497 -7.439  16.233 -3.405 -1.101 -0.595 O52  LIV 17  
LIV C42  C42  C 0 1 N N R 17.787 -8.940  18.055 -5.674 -0.616 0.083  C42  LIV 18  
LIV C32  C32  C 0 1 N N S 18.040 -10.243 18.857 -6.841 -1.136 0.925  C32  LIV 19  
LIV N32  N32  N 0 1 N N N 16.928 -10.500 19.778 -7.972 -0.204 0.821  N32  LIV 20  
LIV C22  C22  C 0 1 N N N 18.245 -11.465 17.874 -7.266 -2.513 0.411  C22  LIV 21  
LIV C13  C13  C 0 1 N N S 19.513 -6.624  15.692 -2.207 -1.554 0.038  C13  LIV 22  
LIV C23  C23  C 0 1 N N R 19.003 -5.904  14.443 -0.974 -1.180 -0.815 C23  LIV 23  
LIV O23  O23  O 0 1 N N N 19.187 -6.686  13.243 -0.551 -2.294 -1.604 O23  LIV 24  
LIV C33  C33  C 0 1 N N S 19.827 -4.650  14.494 0.106  -0.814 0.227  C33  LIV 25  
LIV C43  C43  C 0 1 N N R 19.984 -4.308  15.990 -0.599 -1.008 1.588  C43  LIV 26  
LIV O43  O43  O 0 1 N N N 19.940 -5.592  16.592 -2.008 -0.869 1.294  O43  LIV 27  
LIV C53  C53  C 0 1 N N N 18.899 -3.424  16.604 -0.155 0.065  2.584  C53  LIV 28  
LIV O53  O53  O 0 1 N N N 19.465 -2.782  17.756 -0.788 -0.163 3.844  O53  LIV 29  
LIV C44  C44  C 0 1 N N S 24.763 -2.735  13.067 4.736  -0.061 -1.445 C44  LIV 30  
LIV O44  O44  O 0 1 N N N 25.574 -3.759  13.645 5.512  -0.355 -0.282 O44  LIV 31  
LIV C34  C34  C 0 1 N N R 23.926 -3.484  11.950 4.253  -1.369 -2.083 C34  LIV 32  
LIV O34  O34  O 0 1 N N N 23.123 -2.478  11.324 3.598  -1.090 -3.322 O34  LIV 33  
LIV C24  C24  C 0 1 N N R 22.968 -4.587  12.583 3.271  -2.049 -1.123 C24  LIV 34  
LIV N24  N24  N 0 1 N N N 23.663 -5.670  13.328 3.980  -2.467 0.094  N24  LIV 35  
LIV C14  C14  C 0 1 N N R 21.883 -3.865  13.501 2.165  -1.056 -0.756 C14  LIV 36  
LIV O33  O33  O 0 1 N N N 21.140 -4.906  14.064 1.228  -1.692 0.115  O33  LIV 37  
LIV C54  C54  C 0 1 N N S 23.763 -2.352  14.141 3.519  0.781  -1.055 C54  LIV 38  
LIV O54  O54  O 0 1 N N N 22.558 -3.023  14.568 2.731  0.076  -0.098 O54  LIV 39  
LIV C64  C64  C 0 1 N N N 24.311 -1.500  15.327 3.990  2.105  -0.449 C64  LIV 40  
LIV N64  N64  N 0 1 N N N 23.778 -1.914  16.642 2.831  2.974  -0.210 N64  LIV 41  
LIV C15  C15  C 0 1 N N R 27.226 -3.609  13.799 6.834  -0.655 -0.732 C15  LIV 42  
LIV C25  C25  C 0 1 N N S 27.329 -4.556  14.989 7.625  -1.304 0.407  C25  LIV 43  
LIV C35  C35  C 0 1 N N S 27.181 -3.901  16.357 7.664  -0.344 1.600  C35  LIV 44  
LIV C45  C45  C 0 1 N N S 28.053 -2.658  16.543 8.202  1.009  1.122  C45  LIV 45  
LIV C55  C55  C 0 1 N N R 28.061 -1.788  15.291 7.369  1.484  -0.070 C55  LIV 46  
LIV C65  C65  C 0 1 N N N 28.855 -0.488  15.185 7.879  2.851  -0.533 C65  LIV 47  
LIV O25  O25  O 0 1 N N N 28.605 -5.226  14.952 8.957  -1.579 -0.030 O25  LIV 48  
LIV O35  O35  O 0 1 N N N 27.538 -4.882  17.337 8.521  -0.870 2.614  O35  LIV 49  
LIV O45  O45  O 0 1 N N N 27.580 -1.990  17.724 8.110  1.963  2.181  O45  LIV 50  
LIV O55  O55  O 0 1 N N N 27.943 -2.364  13.981 7.480  0.549  -1.142 O55  LIV 51  
LIV O65  O65  O 0 1 N N N 30.265 -0.782  15.000 7.027  3.353  -1.564 O65  LIV 52  
LIV H11  H11  H 0 1 N N N 17.389 -6.307  17.662 -4.157 0.770  -1.170 H11  LIV 53  
LIV H21  H21  H 0 1 N N N 17.562 -4.551  19.354 -3.682 3.204  -0.952 H21  LIV 54  
LIV H211 1H21 H 0 0 N N N 19.802 -4.955  20.198 -2.380 3.026  0.993  H211 LIV 55  
LIV H212 2H21 H 0 0 N N N 19.654 -5.494  18.610 -3.224 1.753  1.529  H212 LIV 56  
LIV H311 1H31 H 0 0 N N N 17.875 -6.740  21.583 -4.419 4.428  1.032  H311 LIV 57  
LIV H312 2H31 H 0 0 N N N 17.932 -5.082  21.862 -5.187 2.962  1.694  H312 LIV 58  
LIV H41  H41  H 0 1 N N N 15.533 -4.769  20.878 -5.964 4.439  -0.864 H41  LIV 59  
LIV H3   H3   H 0 1 N N N 14.484 -5.865  22.615 -6.706 5.317  1.120  H3   LIV 60  
LIV H51  H51  H 0 1 N N N 15.699 -7.853  20.726 -7.053 1.867  0.367  H51  LIV 61  
LIV H611 1H61 H 0 0 N N N 13.382 -6.996  21.295 -8.793 3.382  -0.613 H611 LIV 62  
LIV H612 2H61 H 0 0 N N N 13.399 -5.921  20.008 -7.893 3.374  -2.149 H612 LIV 63  
LIV H61  H61  H 0 1 N N N 12.514 -7.959  19.385 -9.569 1.811  -2.090 H61  LIV 64  
LIV H12  H12  H 0 1 N N N 20.366 -10.968 17.473 -5.778 -3.564 1.561  H12  LIV 65  
LIV H121 1H12 H 0 0 N N N 19.902 -13.136 16.545 -7.265 -5.107 0.608  H121 LIV 66  
LIV H122 2H12 H 0 0 N N N 20.397 -12.104 15.302 -6.871 -4.667 -0.900 H122 LIV 67  
LIV H62  H62  H 0 1 N N N 18.167 -10.067 15.452 -5.231 -2.883 -1.364 H62  LIV 68  
LIV H2   H2   H 0 1 N N N 20.032 -8.805  14.690 -4.131 -4.724 -0.554 H2   LIV 69  
LIV H52  H52  H 0 1 N N N 19.850 -8.435  17.466 -4.186 -1.667 1.233  H52  LIV 70  
LIV H42  H42  H 0 1 N N N 16.849 -9.036  17.459 -5.984 -0.536 -0.958 H42  LIV 71  
LIV H32  H32  H 0 1 N N N 18.971 -10.116 19.457 -6.531 -1.216 1.966  H32  LIV 72  
LIV H321 1H32 H 0 0 N N N 17.094 -11.357 20.305 -8.752 -0.642 1.288  H321 LIV 73  
LIV H322 2H32 H 0 0 N N N 16.030 -10.520 19.293 -7.728 0.610  1.365  H322 LIV 74  
LIV H221 1H22 H 0 0 N N N 17.307 -11.730 17.332 -7.577 -2.433 -0.630 H221 LIV 75  
LIV H222 2H22 H 0 0 N N N 18.391 -12.425 18.421 -8.098 -2.883 1.011  H222 LIV 76  
LIV H13  H13  H 0 1 N N N 20.362 -7.312  15.473 -2.246 -2.632 0.196  H13  LIV 77  
LIV H23  H23  H 0 1 N N N 17.905 -5.711  14.421 -1.196 -0.324 -1.452 H23  LIV 78  
LIV H1   H1   H 0 1 N N N 18.870 -6.238  12.467 -1.262 -2.476 -2.234 H1   LIV 79  
LIV H33  H33  H 0 1 N N N 19.344 -3.861  13.870 0.420  0.222  0.104  H33  LIV 80  
LIV H43  H43  H 0 1 N N N 20.909 -3.706  16.147 -0.390 -2.001 1.984  H43  LIV 81  
LIV H531 1H53 H 0 0 N N N 18.462 -2.702  15.874 0.928  0.021  2.708  H531 LIV 82  
LIV H532 2H53 H 0 0 N N N 17.962 -3.982  16.834 -0.437 1.049  2.208  H532 LIV 83  
LIV H53  H53  H 0 1 N N N 18.790 -2.232  18.137 -0.481 0.533  4.441  H53  LIV 84  
LIV H44  H44  H 0 1 N N N 25.341 -1.860  12.686 5.345  0.490  -2.160 H44  LIV 85  
LIV H34  H34  H 0 1 N N N 24.607 -4.002  11.235 5.105  -2.026 -2.260 H34  LIV 86  
LIV H4   H4   H 0 1 N N N 22.621 -2.927  10.654 3.302  -1.939 -3.679 H4   LIV 87  
LIV H24  H24  H 0 1 N N N 22.479 -5.111  11.728 2.832  -2.921 -1.607 H24  LIV 88  
LIV H241 1H24 H 0 0 N N N 23.049 -6.376  13.733 3.294  -2.900 0.694  H241 LIV 89  
LIV H242 2H24 H 0 0 N N N 24.265 -5.271  14.048 4.624  -3.193 -0.181 H242 LIV 90  
LIV H14  H14  H 0 1 N N N 21.236 -3.164  12.923 1.655  -0.731 -1.662 H14  LIV 91  
LIV H54  H54  H 0 1 N N N 23.301 -1.904  13.229 2.918  0.982  -1.942 H54  LIV 92  
LIV H11A 1H1  H 0 0 N N N 25.426 -1.502  15.333 4.677  2.596  -1.139 H11A LIV 93  
LIV H12A 2H1  H 0 0 N N N 24.129 -0.414  15.150 4.500  1.911  0.495  H12A LIV 94  
LIV H641 1H64 H 0 0 N N N 24.136 -1.356  17.417 3.187  3.831  0.187  H641 LIV 95  
LIV H642 2H64 H 0 0 N N N 23.943 -2.907  16.803 2.454  3.210  -1.116 H642 LIV 96  
LIV H15  H15  H 0 1 N N N 27.739 -3.786  12.825 6.782  -1.343 -1.576 H15  LIV 97  
LIV H25  H25  H 0 1 N N N 26.468 -5.256  14.879 7.138  -2.234 0.702  H25  LIV 98  
LIV H35  H35  H 0 1 N N N 26.126 -3.553  16.462 6.658  -0.217 2.000  H35  LIV 99  
LIV H45  H45  H 0 1 N N N 29.125 -2.925  16.688 9.244  0.901  0.819  H45  LIV 100 
LIV H55  H55  H 0 1 N N N 27.049 -1.506  15.666 6.324  1.570  0.229  H55  LIV 101 
LIV H651 1H65 H 0 0 N N N 28.458 0.180   14.385 7.877  3.543  0.309  H651 LIV 102 
LIV H652 2H65 H 0 0 N N N 28.678 0.182   16.058 8.893  2.749  -0.918 H652 LIV 103 
LIV H7   H7   H 0 1 N N N 28.669 -5.816  15.693 8.886  -2.185 -0.780 H7   LIV 104 
LIV H6   H6   H 0 1 N N N 27.445 -4.473  18.189 8.146  -1.719 2.885  H6   LIV 105 
LIV H5   H5   H 0 1 N N N 28.121 -1.218  17.839 8.648  1.625  2.910  H5   LIV 106 
LIV H65  H65  H 0 1 N N N 30.759 0.026   14.934 7.382  4.213  -1.827 H65  LIV 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 
LIV C11 O11  SING N N 1   
LIV C11 C21  SING N N 2   
LIV C11 O51  SING N N 3   
LIV C11 H11  SING N N 4   
LIV O11 C42  SING N N 5   
LIV C21 N21  SING N N 6   
LIV C21 C31  SING N N 7   
LIV C21 H21  SING N N 8   
LIV N21 H211 SING N N 9   
LIV N21 H212 SING N N 10  
LIV C31 C41  SING N N 11  
LIV C31 H311 SING N N 12  
LIV C31 H312 SING N N 13  
LIV C41 O41  SING N N 14  
LIV C41 C51  SING N N 15  
LIV C41 H41  SING N N 16  
LIV O41 H3   SING N N 17  
LIV C51 O51  SING N N 18  
LIV C51 C61  SING N N 19  
LIV C51 H51  SING N N 20  
LIV C61 O61  SING N N 21  
LIV C61 H611 SING N N 22  
LIV C61 H612 SING N N 23  
LIV O61 H61  SING N N 24  
LIV C12 N12  SING N N 25  
LIV C12 C62  SING N N 26  
LIV C12 C22  SING N N 27  
LIV C12 H12  SING N N 28  
LIV N12 H121 SING N N 29  
LIV N12 H122 SING N N 30  
LIV C62 O62  SING N N 31  
LIV C62 C52  SING N N 32  
LIV C62 H62  SING N N 33  
LIV O62 H2   SING N N 34  
LIV C52 O52  SING N N 35  
LIV C52 C42  SING N N 36  
LIV C52 H52  SING N N 37  
LIV O52 C13  SING N N 38  
LIV C42 C32  SING N N 39  
LIV C42 H42  SING N N 40  
LIV C32 N32  SING N N 41  
LIV C32 C22  SING N N 42  
LIV C32 H32  SING N N 43  
LIV N32 H321 SING N N 44  
LIV N32 H322 SING N N 45  
LIV C22 H221 SING N N 46  
LIV C22 H222 SING N N 47  
LIV C13 C23  SING N N 48  
LIV C13 O43  SING N N 49  
LIV C13 H13  SING N N 50  
LIV C23 O23  SING N N 51  
LIV C23 C33  SING N N 52  
LIV C23 H23  SING N N 53  
LIV O23 H1   SING N N 54  
LIV C33 C43  SING N N 55  
LIV C33 O33  SING N N 56  
LIV C33 H33  SING N N 57  
LIV C43 O43  SING N N 58  
LIV C43 C53  SING N N 59  
LIV C43 H43  SING N N 60  
LIV C53 O53  SING N N 61  
LIV C53 H531 SING N N 62  
LIV C53 H532 SING N N 63  
LIV O53 H53  SING N N 64  
LIV C44 O44  SING N N 65  
LIV C44 C34  SING N N 66  
LIV C44 C54  SING N N 67  
LIV C44 H44  SING N N 68  
LIV O44 C15  SING N N 69  
LIV C34 O34  SING N N 70  
LIV C34 C24  SING N N 71  
LIV C34 H34  SING N N 72  
LIV O34 H4   SING N N 73  
LIV C24 N24  SING N N 74  
LIV C24 C14  SING N N 75  
LIV C24 H24  SING N N 76  
LIV N24 H241 SING N N 77  
LIV N24 H242 SING N N 78  
LIV C14 O33  SING N N 79  
LIV C14 O54  SING N N 80  
LIV C14 H14  SING N N 81  
LIV C54 O54  SING N N 82  
LIV C54 C64  SING N N 83  
LIV C54 H54  SING N N 84  
LIV C64 N64  SING N N 85  
LIV C64 H11A SING N N 86  
LIV C64 H12A SING N N 87  
LIV N64 H641 SING N N 88  
LIV N64 H642 SING N N 89  
LIV C15 C25  SING N N 90  
LIV C15 O55  SING N N 91  
LIV C15 H15  SING N N 92  
LIV C25 C35  SING N N 93  
LIV C25 O25  SING N N 94  
LIV C25 H25  SING N N 95  
LIV C35 C45  SING N N 96  
LIV C35 O35  SING N N 97  
LIV C35 H35  SING N N 98  
LIV C45 C55  SING N N 99  
LIV C45 O45  SING N N 100 
LIV C45 H45  SING N N 101 
LIV C55 C65  SING N N 102 
LIV C55 O55  SING N N 103 
LIV C55 H55  SING N N 104 
LIV C65 O65  SING N N 105 
LIV C65 H651 SING N N 106 
LIV C65 H652 SING N N 107 
LIV O25 H7   SING N N 108 
LIV O35 H6   SING N N 109 
LIV O45 H5   SING N N 110 
LIV O65 H65  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 
LIV SMILES           ACDLabs              10.04 O(C2C(OC1OC(CO)C(O)CC1N)C(N)CC(N)C2O)C5OC(C(OC4OC(CN)C(OC3OC(CO)C(O)C(O)C3O)C(O)C4N)C5O)CO 
LIV InChI            InChI                1.02b 
;InChI=1/C29H55N5O18/c30-3-11-23(51-28-20(43)19(42)17(40)13(5-36)47-28)18(41)15(34)27(45-11)50-24-14(6-37)48-29(21(24)44)52-25-16(39)7(31)1-8(32)22(25)49-26-9(33)2-10(38)12(4-35)46-26/h7-29,35-44H,1-6,30-34H2/t7-,8+,9-,10+,11+,12-,13-,14-,15-,16+,17-,18-,19+,20+,21-,22-,23-,24-,25-,26-,27-,28-,29+/m1/s1
;
LIV InChIKey         InChI                1.02b DBLVDAUGBTYDFR-SWMBIRFSBD 
LIV SMILES_CANONICAL CACTVS               3.341 NC[C@@H]1O[C@H](O[C@H]2[C@@H](O)[C@@H](O[C@@H]2CO)O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]4O[C@H](CO)[C@@H](O)C[C@H]4N)[C@H](N)[C@@H](O)[C@@H]1O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O 
LIV SMILES           CACTVS               3.341 NC[CH]1O[CH](O[CH]2[CH](O)[CH](O[CH]2CO)O[CH]3[CH](O)[CH](N)C[CH](N)[CH]3O[CH]4O[CH](CO)[CH](O)C[CH]4N)[CH](N)[CH](O)[CH]1O[CH]5O[CH](CO)[CH](O)[CH](O)[CH]5O 
LIV SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H](C[C@@H]([C@H](O2)CO)O)N)O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@@H](O4)CN)O[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)N)O)O)N 
LIV SMILES           "OpenEye OEToolkits" 1.5.0 C1C(C(C(C(C1N)OC2C(CC(C(O2)CO)O)N)OC3C(C(C(O3)CO)OC4C(C(C(C(O4)CN)OC5C(C(C(C(O5)CO)O)O)O)O)N)O)O)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 
LIV "SYSTEMATIC NAME" ACDLabs              10.04 
"(1R,2R,3S,4R,6S)-4,6-diamino-3-hydroxy-2-{[alpha-D-mannopyranosyl-(1->4)-2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl-(1->3)-beta-D-ribofuranosyl]oxy}cyclohexyl 2-amino-2,3-dideoxy-alpha-D-ribo-hexopyranoside" 
LIV "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 
;(2R,3S,4S,5S,6R)-2-[(2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-3,5-diamino-2-[(2S,3R,5S,6R)-3-amino-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-hydroxy-cyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-4-hydroxy-oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
;
# 
