data_NGZ
# 
_chem_comp.id                                    NGZ 
_chem_comp.name                                  2-(ACETYLAMINO)-2-DEOXY-ALPHA-L-GLUCOPYRANOSE 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             ATOMS 
_chem_comp.formula                               "C8 H15 N O6" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2004-06-10 
_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                        221.208 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     NGZ 
_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        1W0Q 
_chem_comp.pdbx_subcomponent_list                ? 
_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 
NGZ C1  C1  C 0 1 N N R 14.345 -17.281 -2.241 0.182  -1.170 -0.104 C1  NGZ 1  
NGZ C2  C2  C 0 1 N N S 13.267 -17.942 -1.297 0.869  0.152  0.246  C2  NGZ 2  
NGZ C3  C3  C 0 1 N N S 13.749 -19.331 -0.791 0.006  1.314  -0.260 C3  NGZ 3  
NGZ C4  C4  C 0 1 N N R 15.133 -19.224 -0.080 -1.413 1.147  0.294  C4  NGZ 4  
NGZ C5  C5  C 0 1 N N S 16.185 -18.523 -1.026 -1.928 -0.250 -0.059 C5  NGZ 5  
NGZ C6  C6  C 0 1 N N N 16.964 -17.352 -0.378 -3.357 -0.412 0.463  C6  NGZ 6  
NGZ C7  C7  C 0 1 N N N 10.648 -17.407 -1.369 3.252  -0.356 0.211  C7  NGZ 7  
NGZ C8  C8  C 0 1 N N N 10.822 -16.179 -0.488 4.607  -0.302 -0.447 C8  NGZ 8  
NGZ N2  N2  N 0 1 N N N 11.888 -18.003 -1.856 2.186  0.204  -0.394 N2  NGZ 9  
NGZ O3  O3  O 0 1 N N N 12.800 -19.900 0.101  0.553  2.555  0.189  O3  NGZ 10 
NGZ O4  O4  O 0 1 N N N 15.533 -20.588 0.262  -2.272 2.133  -0.283 O4  NGZ 11 
NGZ O5  O5  O 0 1 N N N 15.598 -18.036 -2.274 -1.090 -1.238 0.537  O5  NGZ 12 
NGZ O6  O6  O 0 1 N N N 17.833 -16.696 -1.305 -3.883 -1.667 0.028  O6  NGZ 13 
NGZ O7  O7  O 0 1 N N N 9.991  -17.008 -2.548 3.121  -0.903 1.285  O7  NGZ 14 
NGZ O1  O1  O 0 1 N Y N 13.938 -17.156 -3.271 0.004  -1.253 -1.520 O1  NGZ 15 
NGZ H1  H1  H 0 1 N N N 14.576 -16.291 -1.822 0.802  -2.001 0.232  H1  NGZ 16 
NGZ H2  H2  H 0 1 N N N 13.178 -17.260 -0.439 0.986  0.227  1.327  H2  NGZ 17 
NGZ H3  H3  H 0 1 N N N 13.854 -19.983 -1.671 -0.022 1.299  -1.349 H3  NGZ 18 
NGZ H4  H4  H 0 1 N N N 15.075 -18.607 0.829  -1.397 1.267  1.377  H4  NGZ 19 
NGZ H5  H5  H 0 1 N N N 16.896 -19.336 -1.233 -1.921 -0.376 -1.142 H5  NGZ 20 
NGZ H61 1H6 H 0 1 N N N 17.585 -17.767 0.430  -3.351 -0.378 1.552  H61 NGZ 21 
NGZ H62 2H6 H 0 1 N N N 16.238 -16.617 0.000  -3.978 0.396  0.077  H62 NGZ 22 
NGZ H81 1H8 H 0 1 N N N 9.971  -15.498 -0.637 5.338  -0.803 0.186  H81 NGZ 23 
NGZ H82 2H8 H 0 1 N N N 11.756 -15.664 -0.757 4.560  -0.801 -1.415 H82 NGZ 24 
NGZ H83 3H8 H 0 1 N N N 10.864 -16.487 0.567  4.900  0.738  -0.589 H83 NGZ 25 
NGZ HN2 HN2 H 0 1 N N N 11.797 -18.536 -2.697 2.290  0.642  -1.254 HN2 NGZ 26 
NGZ HO3 HO3 H 0 1 N N N 13.202 -20.027 0.953  -0.028 3.253  -0.143 HO3 NGZ 27 
NGZ HB  HB  H 0 1 N N N 15.620 -21.102 -0.532 -3.153 1.988  0.088  HB  NGZ 28 
NGZ HO6 HO6 H 0 1 N N N 17.372 -16.551 -2.123 -4.783 -1.729 0.378  HO6 NGZ 29 
NGZ HO1 HO1 H 0 1 N N N 12.989 -17.120 -3.235 -0.431 -2.099 -1.698 HO1 NGZ 30 
# 
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 
NGZ C1 C2  SING N N 1  
NGZ C1 O5  SING N N 2  
NGZ C1 O1  SING N N 3  
NGZ C1 H1  SING N N 4  
NGZ C2 C3  SING N N 5  
NGZ C2 N2  SING N N 6  
NGZ C2 H2  SING N N 7  
NGZ C3 C4  SING N N 8  
NGZ C3 O3  SING N N 9  
NGZ C3 H3  SING N N 10 
NGZ C4 C5  SING N N 11 
NGZ C4 O4  SING N N 12 
NGZ C4 H4  SING N N 13 
NGZ C5 C6  SING N N 14 
NGZ C5 O5  SING N N 15 
NGZ C5 H5  SING N N 16 
NGZ C6 O6  SING N N 17 
NGZ C6 H61 SING N N 18 
NGZ C6 H62 SING N N 19 
NGZ C7 C8  SING N N 20 
NGZ C7 N2  SING N N 21 
NGZ C7 O7  DOUB N N 22 
NGZ C8 H81 SING N N 23 
NGZ C8 H82 SING N N 24 
NGZ C8 H83 SING N N 25 
NGZ N2 HN2 SING N N 26 
NGZ O3 HO3 SING N N 27 
NGZ O4 HB  SING N N 28 
NGZ O6 HO6 SING N N 29 
NGZ O1 HO1 SING N N 30 
# 
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 
NGZ SMILES           ACDLabs              10.04 O=C(NC1C(O)C(O)C(OC1O)CO)C                                                                                          
NGZ InChI            InChI                1.02b InChI=1/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8+/m0/s1/f/h9H 
NGZ InChIKey         InChI                1.02b OVRNDRQMDRJTHS-CCFMMGTMDW                                                                                           
NGZ SMILES_CANONICAL CACTVS               3.341 CC(=O)N[C@@H]1[C@H](O)O[C@@H](CO)[C@H](O)[C@H]1O                                                                    
NGZ SMILES           CACTVS               3.341 CC(=O)N[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O                                                                           
NGZ SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 CC(=O)N[C@H]1[C@@H]([C@H]([C@@H](O[C@H]1O)CO)O)O                                                                    
NGZ SMILES           "OpenEye OEToolkits" 1.5.0 CC(=O)NC1C(C(C(OC1O)CO)O)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 
NGZ "SYSTEMATIC NAME" ACDLabs              10.04 2-(acetylamino)-2-deoxy-alpha-L-glucopyranose                              
NGZ "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 N-[(2R,3S,4S,5R,6S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanamide 
# 
