data_EHM
# 
_chem_comp.id                                    EHM 
_chem_comp.name                                  (2R,3R)-N,2,3,4-TETRAHYDROXYBUTANAMIDE 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C4 H9 N O5" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         D-ERYTHRONOHYDROXAMATE 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2006-08-04 
_chem_comp.pdbx_modified_date                    2008-10-14 
_chem_comp.pdbx_ambiguous_flag                   ? 
_chem_comp.pdbx_release_status                   REL 
_chem_comp.pdbx_replaced_by                      ? 
_chem_comp.pdbx_replaces                         ? 
_chem_comp.formula_weight                        151.118 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     EHM 
_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        2HXT 
_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 
EHM O4  O4  O 0 1 N N N -20.791 66.506 24.918 -0.441 0.566  0.953  O4  EHM 1  
EHM C4  C4  C 0 1 N N N -22.097 66.387 25.488 0.802  1.204  0.674  C4  EHM 2  
EHM C3  C3  C 0 1 N N R -22.025 66.683 26.986 0.714  1.954  -0.655 C3  EHM 3  
EHM O3  O3  O 0 1 N N N -21.021 65.865 27.593 -0.314 2.943  -0.544 O3  EHM 4  
EHM C2  C2  C 0 1 N N R -21.711 68.166 27.269 2.039  2.634  -1.025 C2  EHM 5  
EHM O2  O2  O 0 1 N N N -22.744 69.010 26.780 3.051  1.652  -1.184 O2  EHM 6  
EHM C1  C1  C 0 1 N N N -21.550 68.373 28.747 1.921  3.437  -2.315 C1  EHM 7  
EHM O1  O1  O 0 1 N N N -22.275 67.781 29.540 1.598  2.924  -3.385 O1  EHM 8  
EHM N   N   N 0 1 N N N -20.596 69.215 29.129 2.225  4.764  -2.139 N   EHM 9  
EHM ON  ON  O 0 1 N N N -20.530 69.595 30.473 2.152  5.567  -3.285 ON  EHM 10 
EHM HO4 HO4 H 0 1 N N N -20.860 66.532 23.971 -0.239 -0.365 1.136  HO4 EHM 11 
EHM H41 1H4 H 0 1 N N N -22.776 67.105 25.004 1.565  0.421  0.644  H41 EHM 12 
EHM H42 2H4 H 0 1 N N N -22.474 65.366 25.333 1.026  1.883  1.503  H42 EHM 13 
EHM H3  H3  H 0 1 N N N -23.013 66.457 27.414 0.396  1.266  -1.446 H3  EHM 14 
EHM HO3 HO3 H 0 1 N N N -20.335 65.684 26.961 0.116  3.745  -0.213 HO3 EHM 15 
EHM H2  H2  H 0 1 N N N -20.777 68.427 26.750 2.348  3.310  -0.219 H2  EHM 16 
EHM HO2 HO2 H 0 1 N N N -23.358 69.198 27.480 2.727  1.017  -1.844 HO2 EHM 17 
EHM HN  HN  H 0 1 N N N -19.937 69.571 28.467 2.487  5.140  -1.235 HN  EHM 18 
EHM HON HON H 0 1 N N N -20.515 68.819 31.021 1.254  5.927  -3.185 HON EHM 19 
# 
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 
EHM O4 C4  SING N N 1  
EHM O4 HO4 SING N N 2  
EHM C4 C3  SING N N 3  
EHM C4 H41 SING N N 4  
EHM C4 H42 SING N N 5  
EHM C3 O3  SING N N 6  
EHM C3 C2  SING N N 7  
EHM C3 H3  SING N N 8  
EHM O3 HO3 SING N N 9  
EHM C2 O2  SING N N 10 
EHM C2 C1  SING N N 11 
EHM C2 H2  SING N N 12 
EHM O2 HO2 SING N N 13 
EHM C1 O1  DOUB N N 14 
EHM C1 N   SING N N 15 
EHM N  ON  SING N N 16 
EHM N  HN  SING N N 17 
EHM ON HON SING N N 18 
# 
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 
EHM SMILES           ACDLabs              10.04 O=C(NO)C(O)C(O)CO                                                                 
EHM InChI            InChI                1.02b InChI=1/C4H9NO5/c6-1-2(7)3(8)4(9)5-10/h2-3,6-8,10H,1H2,(H,5,9)/t2-,3-/m1/s1/f/h5H 
EHM InChIKey         InChI                1.02b SJYJPXDRLWCEKB-CLVLJGGADK                                                         
EHM SMILES_CANONICAL CACTVS               3.341 OC[C@@H](O)[C@@H](O)C(=O)NO                                                       
EHM SMILES           CACTVS               3.341 OC[CH](O)[CH](O)C(=O)NO                                                           
EHM SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 C([C@H]([C@H](C(=O)NO)O)O)O                                                       
EHM SMILES           "OpenEye OEToolkits" 1.5.0 C(C(C(C(=O)NO)O)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 
EHM "SYSTEMATIC NAME" ACDLabs              10.04 (2R,3R)-N,2,3,4-tetrahydroxybutanamide 
EHM "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 (2R,3R)-N,2,3,4-tetrahydroxybutanamide 
# 
