data_HYH
# 
_chem_comp.id                                    HYH 
_chem_comp.name                                  "(2R)-2-hydroxyhexanamide" 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C6 H13 N O2" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2014-09-08 
_chem_comp.pdbx_modified_date                    2014-09-19 
_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                        131.173 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     HYH 
_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        4R9K 
_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 
HYH O1  O1  O 0 1 N N N -3.660 15.212 2.708 -2.893 0.430  -0.569 O1  HYH 1  
HYH C5  C5  C 0 1 N N N -3.610 16.417 2.459 -2.093 -0.259 0.028  C5  HYH 2  
HYH N   N   N 0 1 N N N -4.041 16.732 1.274 -2.377 -1.551 0.285  N   HYH 3  
HYH C4  C4  C 0 1 N N R -3.100 17.401 3.510 -0.780 0.328  0.477  C4  HYH 4  
HYH O   O   O 0 1 N N N -4.177 18.228 4.081 -0.761 1.728  0.189  O   HYH 5  
HYH C3  C3  C 0 1 N N N -1.873 18.041 2.875 0.367  -0.361 -0.265 C3  HYH 6  
HYH C2  C2  C 0 1 N N N -0.874 18.657 3.893 1.704  0.146  0.280  C2  HYH 7  
HYH C1  C1  C 0 1 N N N 0.141  19.535 3.262 2.851  -0.544 -0.462 C1  HYH 8  
HYH C   C   C 0 1 N N N 1.075  20.200 4.261 4.188  -0.037 0.083  C   HYH 9  
HYH H1  H1  H 0 1 N N N -4.374 16.019 0.657 -3.221 -1.930 -0.007 H1  HYH 10 
HYH H2  H2  H 0 1 N N N -4.040 17.688 0.979 -1.737 -2.102 0.763  H2  HYH 11 
HYH H3  H3  H 0 1 N N N -2.718 16.782 4.335 -0.662 0.177  1.550  H3  HYH 12 
HYH H4  H4  H 0 1 N N N -3.812 18.822 4.727 -0.861 1.938  -0.750 H4  HYH 13 
HYH H5  H5  H 0 1 N N N -1.343 17.270 2.296 0.299  -1.439 -0.117 H5  HYH 14 
HYH H6  H6  H 0 1 N N N -2.212 18.840 2.199 0.299  -0.136 -1.329 H6  HYH 15 
HYH H7  H7  H 0 1 N N N -1.442 19.250 4.624 1.771  1.223  0.132  H7  HYH 16 
HYH H8  H8  H 0 1 N N N -0.353 17.838 4.411 1.772  -0.080 1.344  H8  HYH 17 
HYH H9  H9  H 0 1 N N N 0.745  18.928 2.572 2.783  -1.622 -0.314 H9  HYH 18 
HYH H10 H10 H 0 1 N N N -0.382 20.321 2.698 2.783  -0.318 -1.526 H10 HYH 19 
HYH H11 H11 H 0 1 N N N 1.797  20.833 3.724 4.255  1.041  -0.065 H11 HYH 20 
HYH H12 H12 H 0 1 N N N 0.488  20.821 4.954 4.256  -0.263 1.147  H12 HYH 21 
HYH H13 H13 H 0 1 N N N 1.615  19.428 4.828 5.005  -0.528 -0.446 H13 HYH 22 
# 
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 
HYH N  C5  SING N N 1  
HYH C5 O1  DOUB N N 2  
HYH C5 C4  SING N N 3  
HYH C3 C4  SING N N 4  
HYH C3 C2  SING N N 5  
HYH C1 C2  SING N N 6  
HYH C1 C   SING N N 7  
HYH C4 O   SING N N 8  
HYH N  H1  SING N N 9  
HYH N  H2  SING N N 10 
HYH C4 H3  SING N N 11 
HYH O  H4  SING N N 12 
HYH C3 H5  SING N N 13 
HYH C3 H6  SING N N 14 
HYH C2 H7  SING N N 15 
HYH C2 H8  SING N N 16 
HYH C1 H9  SING N N 17 
HYH C1 H10 SING N N 18 
HYH C  H11 SING N N 19 
HYH C  H12 SING N N 20 
HYH C  H13 SING N N 21 
# 
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 
HYH SMILES           ACDLabs              12.01 "O=C(N)C(O)CCCC"                                                          
HYH InChI            InChI                1.03  "InChI=1S/C6H13NO2/c1-2-3-4-5(8)6(7)9/h5,8H,2-4H2,1H3,(H2,7,9)/t5-/m1/s1" 
HYH InChIKey         InChI                1.03  PWIXYTPZGNDAMG-RXMQYKEDSA-N                                               
HYH SMILES_CANONICAL CACTVS               3.385 "CCCC[C@@H](O)C(N)=O"                                                     
HYH SMILES           CACTVS               3.385 "CCCC[CH](O)C(N)=O"                                                       
HYH SMILES_CANONICAL "OpenEye OEToolkits" 1.7.6 "CCCC[C@H](C(=O)N)O"                                                      
HYH SMILES           "OpenEye OEToolkits" 1.7.6 "CCCCC(C(=O)N)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 
HYH "SYSTEMATIC NAME" ACDLabs              12.01 "(2R)-2-hydroxyhexanamide"  
HYH "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.7.6 "(2R)-2-oxidanylhexanamide" 
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
HYH "Create component" 2014-09-08 RCSB 
HYH "Initial release"  2014-09-24 RCSB 
# 
