data_2A3
# 
_chem_comp.id                                    2A3 
_chem_comp.name                                  "(2R)-2-aminopropan-1-ol" 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C3 H9 N O" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2010-10-11 
_chem_comp.pdbx_modified_date                    2011-07-29 
_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                        75.110 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     2A3 
_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        3ANY 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  PDBJ 
# 
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 
2A3 C1   C1   C 0 1 N N N 90.662 -96.364 -19.612 -0.899 -0.103 -0.716 C1   2A3 1  
2A3 N1   N1   N 0 1 N N N 91.260 -94.624 -18.020 1.076  -1.161 0.272  N1   2A3 2  
2A3 O1   O1   O 0 1 N N N 91.593 -97.208 -18.930 -1.560 0.007  0.546  O1   2A3 3  
2A3 C2   C2   C 0 1 N N R 90.140 -95.306 -18.666 0.614  -0.007 -0.510 C2   2A3 4  
2A3 C3   C3   C 0 1 N N N 89.226 -95.917 -17.619 0.945  1.284  0.241  C3   2A3 5  
2A3 H1   H1   H 0 1 N N N 91.165 -95.878 -20.461 -1.144 -1.063 -1.172 H1   2A3 6  
2A3 H1A  H1A  H 0 1 N N N 89.821 -96.971 -19.980 -1.229 0.704  -1.371 H1A  2A3 7  
2A3 HN1  HN1  H 0 1 N N N 90.910 -93.926 -17.396 2.073  -1.121 0.422  HN1  2A3 8  
2A3 HN1A HN1A H 0 0 N N N 91.803 -95.288 -17.506 0.581  -1.225 1.149  HN1A 2A3 9  
2A3 HO1  HO1  H 0 1 N N N 91.918 -97.871 -19.528 -2.524 -0.045 0.491  HO1  2A3 10 
2A3 H2   H2   H 0 1 N N N 89.556 -94.577 -19.246 1.113  -0.002 -1.480 H2   2A3 11 
2A3 H3   H3   H 0 1 N N N 88.861 -95.128 -16.945 0.446  1.279  1.210  H3   2A3 12 
2A3 H3A  H3A  H 0 1 N N N 88.371 -96.400 -18.115 2.023  1.353  0.387  H3A  2A3 13 
2A3 H3B  H3B  H 0 1 N N N 89.784 -96.666 -17.038 0.602  2.141  -0.340 H3B  2A3 14 
# 
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 
2A3 C1 O1   SING N N 1  
2A3 C1 C2   SING N N 2  
2A3 N1 C2   SING N N 3  
2A3 C2 C3   SING N N 4  
2A3 C1 H1   SING N N 5  
2A3 C1 H1A  SING N N 6  
2A3 N1 HN1  SING N N 7  
2A3 N1 HN1A SING N N 8  
2A3 O1 HO1  SING N N 9  
2A3 C2 H2   SING N N 10 
2A3 C3 H3   SING N N 11 
2A3 C3 H3A  SING N N 12 
2A3 C3 H3B  SING N N 13 
# 
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 
2A3 SMILES           ACDLabs              12.01 "OCC(N)C"                                              
2A3 SMILES_CANONICAL CACTVS               3.370 "C[C@@H](N)CO"                                         
2A3 SMILES           CACTVS               3.370 "C[CH](N)CO"                                           
2A3 SMILES_CANONICAL "OpenEye OEToolkits" 1.7.0 "C[C@H](CO)N"                                          
2A3 SMILES           "OpenEye OEToolkits" 1.7.0 "CC(CO)N"                                              
2A3 InChI            InChI                1.03  "InChI=1S/C3H9NO/c1-3(4)2-5/h3,5H,2,4H2,1H3/t3-/m1/s1" 
2A3 InChIKey         InChI                1.03  BKMMTJMQCTUHRP-GSVOUGTGSA-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 
2A3 "SYSTEMATIC NAME" ACDLabs              12.01 "(2R)-2-aminopropan-1-ol"  
2A3 "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.7.0 "(2R)-2-azanylpropan-1-ol" 
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
2A3 "Create component"  2010-10-11 PDBJ 
2A3 "Modify descriptor" 2011-06-04 RCSB 
