data_17Y
# 
_chem_comp.id                                    17Y 
_chem_comp.name                                  "(1R,2S)-cyclopentane-1,2-diol" 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C5 H10 O2" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2012-10-29 
_chem_comp.pdbx_modified_date                    2016-01-22 
_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                        102.132 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     17Y 
_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        4HMF 
_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 
17Y OAA OAA O 0 1 N N N -8.951  -27.097 -27.171 -1.831 -0.816 -0.028 OAA 17Y 1  
17Y CAF CAF C 0 1 N N S -10.244 -27.594 -27.241 -0.511 -0.658 0.496  CAF 17Y 2  
17Y CAD CAD C 0 1 N N N -10.451 -28.576 -26.211 0.527  -1.332 -0.436 CAD 17Y 3  
17Y CAC CAC C 0 1 N N N -11.878 -28.454 -25.783 1.836  -0.578 -0.092 CAC 17Y 4  
17Y CAE CAE C 0 1 N N N -12.412 -27.197 -26.400 1.386  0.882  0.125  CAE 17Y 5  
17Y CAG CAG C 0 1 N N R -11.197 -26.448 -26.830 -0.106 0.831  0.499  CAG 17Y 6  
17Y OAB OAB O 0 1 N N N -10.620 -25.645 -25.915 -0.877 1.550  -0.466 OAB 17Y 7  
17Y H1  H1  H 0 1 N N N -8.336  -27.777 -27.418 -2.137 -1.733 -0.052 H1  17Y 8  
17Y H2  H2  H 0 1 N N N -10.506 -27.976 -28.239 -0.448 -1.071 1.503  H2  17Y 9  
17Y H3  H3  H 0 1 N N N -10.258 -29.585 -26.605 0.620  -2.393 -0.206 H3  17Y 10 
17Y H4  H4  H 0 1 N N N -9.782  -28.380 -25.360 0.259  -1.184 -1.482 H4  17Y 11 
17Y H5  H5  H 0 1 N N N -11.940 -28.393 -24.686 2.279  -0.980 0.819  H5  17Y 12 
17Y H6  H6  H 0 1 N N N -12.454 -29.322 -26.135 2.542  -0.643 -0.920 H6  17Y 13 
17Y H7  H7  H 0 1 N N N -12.987 -26.616 -25.664 1.959  1.332  0.935  H7  17Y 14 
17Y H8  H8  H 0 1 N N N -13.052 -27.429 -27.264 1.523  1.454  -0.792 H8  17Y 15 
17Y H9  H9  H 0 1 N N N -11.445 -25.878 -27.738 -0.257 1.257  1.490  H9  17Y 16 
17Y H10 H10 H 0 1 N N N -11.223 -24.950 -25.678 -0.669 2.493  -0.513 H10 17Y 17 
# 
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 
17Y CAF OAA SING N N 1  
17Y CAF CAG SING N N 2  
17Y CAF CAD SING N N 3  
17Y CAG CAE SING N N 4  
17Y CAG OAB SING N N 5  
17Y CAE CAC SING N N 6  
17Y CAD CAC SING N N 7  
17Y OAA H1  SING N N 8  
17Y CAF H2  SING N N 9  
17Y CAD H3  SING N N 10 
17Y CAD H4  SING N N 11 
17Y CAC H5  SING N N 12 
17Y CAC H6  SING N N 13 
17Y CAE H7  SING N N 14 
17Y CAE H8  SING N N 15 
17Y CAG H9  SING N N 16 
17Y OAB H10 SING N N 17 
# 
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 
17Y SMILES           ACDLabs              12.01 OC1CCCC1O                                              
17Y InChI            InChI                1.03  "InChI=1S/C5H10O2/c6-4-2-1-3-5(4)7/h4-7H,1-3H2/t4-,5+" 
17Y InChIKey         InChI                1.03  VCVOSERVUCJNPR-SYDPRGILSA-N                            
17Y SMILES_CANONICAL CACTVS               3.370 "O[C@H]1CCC[C@H]1O"                                    
17Y SMILES           CACTVS               3.370 "O[CH]1CCC[CH]1O"                                      
17Y SMILES_CANONICAL "OpenEye OEToolkits" 1.7.6 "C1C[C@H]([C@H](C1)O)O"                                
17Y SMILES           "OpenEye OEToolkits" 1.7.6 "C1CC(C(C1)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 
17Y "SYSTEMATIC NAME" ACDLabs              12.01 "(1R,2S)-cyclopentane-1,2-diol" 
17Y "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.7.6 "(1R,2S)-cyclopentane-1,2-diol" 
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
17Y "Create component" 2012-10-29 RCSB 
17Y "Initial release"  2016-01-27 RCSB 
#