data_DDO
# 
_chem_comp.id                                    DDO 
_chem_comp.name                                  6-HYDROXY-D-NORLEUCINE 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C6 H13 N O3" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2001-09-11 
_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                        147.172 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     DDO 
_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        1JSL 
_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 
DDO N   N   N 0 1 N N N 46.766 7.171  14.340 1.770  0.233  -1.353 N   DDO 1  
DDO CA  CA  C 0 1 N N R 46.807 6.398  15.569 0.325  0.498  -1.375 CA  DDO 2  
DDO CB  CB  C 0 1 N N N 47.314 7.247  16.733 -0.334 -0.171 -0.169 CB  DDO 3  
DDO CG  CG  C 0 1 N N N 46.494 8.488  17.008 0.266  0.392  1.119  CG  DDO 4  
DDO CD  CD  C 0 1 N N N 46.708 8.971  18.433 -0.394 -0.278 2.326  CD  DDO 5  
DDO CE  CE  C 0 1 N N N 45.916 8.139  19.445 0.207  0.285  3.615  CE  DDO 6  
DDO OZ  OZ  O 0 1 N N N 46.247 6.762  19.380 -0.409 -0.340 4.741  OZ  DDO 7  
DDO C   C   C 0 1 N N N 47.673 5.157  15.432 -0.266 -0.056 -2.645 C   DDO 8  
DDO O   O   O 0 1 N N N 47.067 4.077  15.374 0.227  -1.026 -3.169 O   DDO 9  
DDO OXT OXT O 0 1 N N N 48.919 5.265  15.392 -1.343 0.527  -3.194 OXT DDO 10 
DDO HN1 1HN H 0 1 N N N 46.427 6.604  13.562 1.882  -0.768 -1.393 HN1 DDO 11 
DDO HN2 2HN H 0 1 N N N 47.670 7.593  14.131 2.146  0.602  -2.213 HN2 DDO 12 
DDO HA1 1HA H 0 1 N N N 45.761 6.073  15.777 0.152  1.574  -1.334 HA1 DDO 13 
DDO HB1 1HB H 0 1 N N N 47.402 6.627  17.655 -1.406 0.025  -0.186 HB1 DDO 14 
DDO HB2 2HB H 0 1 N N N 48.385 7.515  16.579 -0.162 -1.246 -0.211 HB2 DDO 15 
DDO HG1 1HG H 0 1 N N N 46.700 9.292  16.264 1.338  0.195  1.136  HG1 DDO 16 
DDO HG2 2HG H 0 1 N N N 45.413 8.326  16.784 0.093  1.467  1.161  HG2 DDO 17 
DDO HD1 1HD H 0 1 N N N 47.792 8.999  18.692 -1.466 -0.081 2.309  HD1 DDO 18 
DDO HD2 2HD H 0 1 N N N 46.475 10.057 18.531 -0.221 -1.353 2.284  HD2 DDO 19 
DDO HE1 1HE H 0 1 N N N 46.040 8.535  20.479 1.279  0.088  3.632  HE1 DDO 20 
DDO HE2 2HE H 0 1 N N N 44.818 8.296  19.326 0.034  1.360  3.657  HE2 DDO 21 
DDO HOZ HOZ H 0 1 N N N 45.755 6.245  20.008 -0.003 0.042  5.531  HOZ DDO 22 
DDO HXT HXT H 0 1 N N N 49.460 4.489  15.306 -1.723 0.171  -4.009 HXT DDO 23 
# 
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 
DDO N   CA  SING N N 1  
DDO N   HN1 SING N N 2  
DDO N   HN2 SING N N 3  
DDO CA  CB  SING N N 4  
DDO CA  C   SING N N 5  
DDO CA  HA1 SING N N 6  
DDO CB  CG  SING N N 7  
DDO CB  HB1 SING N N 8  
DDO CB  HB2 SING N N 9  
DDO CG  CD  SING N N 10 
DDO CG  HG1 SING N N 11 
DDO CG  HG2 SING N N 12 
DDO CD  CE  SING N N 13 
DDO CD  HD1 SING N N 14 
DDO CD  HD2 SING N N 15 
DDO CE  OZ  SING N N 16 
DDO CE  HE1 SING N N 17 
DDO CE  HE2 SING N N 18 
DDO OZ  HOZ SING N N 19 
DDO C   O   DOUB N N 20 
DDO C   OXT SING N N 21 
DDO OXT HXT SING N N 22 
# 
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 
DDO SMILES           ACDLabs              10.04 O=C(O)C(N)CCCCO                                                               
DDO InChI            InChI                1.02b InChI=1/C6H13NO3/c7-5(6(9)10)3-1-2-4-8/h5,8H,1-4,7H2,(H,9,10)/t5-/m1/s1/f/h9H 
DDO InChIKey         InChI                1.02b OLUWXTFAPJJWPL-DSSQELMRDG                                                     
DDO SMILES_CANONICAL CACTVS               3.341 N[C@H](CCCCO)C(O)=O                                                           
DDO SMILES           CACTVS               3.341 N[CH](CCCCO)C(O)=O                                                            
DDO SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 C(CCO)C[C@H](C(=O)O)N                                                         
DDO SMILES           "OpenEye OEToolkits" 1.5.0 C(CCO)CC(C(=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 
DDO "SYSTEMATIC NAME" ACDLabs              10.04 6-hydroxy-D-norleucine                 
DDO "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 "(2R)-2-amino-6-hydroxy-hexanoic acid" 
# 
