data_293
# 
_chem_comp.id                                    293 
_chem_comp.name                                  (2S,4R,5S,6R)-6-((S)-1,2-dihydroxyethyl)tetrahydro-2H-pyran-2,4,5-triol 
_chem_comp.type                                  D-saccharide 
_chem_comp.pdbx_type                             ATOMS 
_chem_comp.formula                               "C7 H14 O6" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         2-deoxy-L-glycero-D-manno-heptose 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2007-11-09 
_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                        194.182 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     293 
_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        2RIE 
_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 
293 C1  C1  C 0 1 N N S 27.722 -17.499 10.484 1.131  1.798  0.412  C1  293 1  
293 C2  C2  C 0 1 N N N 26.341 -17.762 9.749  2.238  0.796  0.748  C2  293 2  
293 C3  C3  C 0 1 N N R 26.023 -16.550 8.766  2.115  -0.419 -0.177 C3  293 3  
293 C4  C4  C 0 1 N N S 25.915 -15.227 9.628  0.716  -1.025 -0.022 C4  293 4  
293 C5  C5  C 0 1 N N R 27.359 -14.976 10.312 -0.333 0.047  -0.328 C5  293 5  
293 C6  C6  C 0 1 N N S 27.344 -13.724 11.184 -1.732 -0.533 -0.117 C6  293 6  
293 C7  C7  C 0 1 N N N 28.733 -13.466 11.813 -2.775 0.571  -0.302 C7  293 7  
293 O1  O1  O 0 1 N Y N 28.961 -17.536 9.877  1.295  2.257  -0.932 O1  293 8  
293 O3  O3  O 0 1 N Y N 24.736 -16.827 8.112  3.099  -1.392 0.179  O3  293 9  
293 O4  O4  O 0 1 N Y N 25.633 -14.110 8.793  0.564  -2.115 -0.933 O4  293 10 
293 O5  O5  O 0 1 N N N 27.672 -16.163 11.186 -0.142 1.162  0.546  O5  293 11 
293 O6  O6  O 0 1 N Y N 26.397 -13.996 12.205 -1.833 -1.066 1.204  O6  293 12 
293 O7  O7  O 0 1 N N N 28.681 -12.297 12.622 -4.086 0.007  -0.221 O7  293 13 
293 H1  H1  H 0 1 N N N 27.730 -18.428 11.072 1.187  2.645  1.095  H1  293 14 
293 H2  H2  H 0 1 N N N 26.405 -18.696 9.171  3.211  1.266  0.604  H2  293 15 
293 H2A H2A H 0 1 N N N 25.539 -17.848 10.496 2.138  0.477  1.785  H2A 293 16 
293 H3  H3  H 0 1 N N N 26.810 -16.430 8.007  2.265  -0.108 -1.210 H3  293 17 
293 H4  H4  H 0 1 N N N 25.113 -15.337 10.373 0.585  -1.381 1.000  H4  293 18 
293 H5  H5  H 0 1 N N N 28.113 -14.843 9.522  -0.227 0.374  -1.363 H5  293 19 
293 H6  H6  H 0 1 N N N 27.089 -12.829 10.597 -1.910 -1.326 -0.844 H6  293 20 
293 H7  H7  H 0 1 N N N 29.019 -14.328 12.434 -2.653 1.321  0.479  H7  293 21 
293 H7A H7A H 0 1 N N N 29.475 -13.324 11.014 -2.641 1.038  -1.278 H7A 293 22 
293 HO1 HO1 H 0 1 N N N 28.852 -17.545 8.933  0.626  2.895  -1.214 HO1 293 23 
293 HO3 HO3 H 0 1 N N N 24.053 -16.887 8.769  4.010  -1.074 0.110  HO3 293 24 
293 HO4 HO4 H 0 1 N N N 25.570 -13.325 9.324  1.201  -2.831 -0.799 HO4 293 25 
293 HO6 HO6 H 0 1 N N N 26.842 -14.057 13.042 -1.686 -0.415 1.904  HO6 293 26 
293 HO7 HO7 H 0 1 N N N 28.669 -12.546 13.539 -4.799 0.651  -0.330 HO7 293 27 
# 
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 
293 C2 C1  SING N N 1  
293 O1 C1  SING N N 2  
293 C1 O5  SING N N 3  
293 C1 H1  SING N N 4  
293 C3 C2  SING N N 5  
293 C2 H2  SING N N 6  
293 C2 H2A SING N N 7  
293 O3 C3  SING N N 8  
293 C3 C4  SING N N 9  
293 C3 H3  SING N N 10 
293 O4 C4  SING N N 11 
293 C4 C5  SING N N 12 
293 C4 H4  SING N N 13 
293 C5 C6  SING N N 14 
293 C5 O5  SING N N 15 
293 C5 H5  SING N N 16 
293 C6 C7  SING N N 17 
293 C6 O6  SING N N 18 
293 C6 H6  SING N N 19 
293 C7 O7  SING N N 20 
293 C7 H7  SING N N 21 
293 C7 H7A SING N N 22 
293 O1 HO1 SING N N 23 
293 O3 HO3 SING N N 24 
293 O4 HO4 SING N N 25 
293 O6 HO6 SING N N 26 
293 O7 HO7 SING N N 27 
# 
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 
293 SMILES           ACDLabs              10.04 OC1C(OC(O)CC1O)C(O)CO                                                               
293 InChI            InChI                1.02b InChI=1/C7H14O6/c8-2-4(10)7-6(12)3(9)1-5(11)13-7/h3-12H,1-2H2/t3-,4+,5+,6+,7-/m1/s1 
293 InChIKey         InChI                1.02b XKBYYTRLKVABMB-PFCGLBSHBN                                                           
293 SMILES_CANONICAL CACTVS               3.341 OC[C@H](O)[C@H]1O[C@H](O)C[C@@H](O)[C@@H]1O                                         
293 SMILES           CACTVS               3.341 OC[CH](O)[CH]1O[CH](O)C[CH](O)[CH]1O                                                
293 SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 C1[C@H]([C@@H]([C@H](O[C@@H]1O)[C@H](CO)O)O)O                                       
293 SMILES           "OpenEye OEToolkits" 1.5.0 C1C(C(C(OC1O)C(CO)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 
293 "SYSTEMATIC NAME" ACDLabs              10.04 2-deoxy-beta-L-galacto-heptopyranose                       
293 "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 (2S,4R,5S,6R)-6-[(1S)-1,2-dihydroxyethyl]oxane-2,4,5-triol 
# 
