data_ROR # _chem_comp.id ROR _chem_comp.name L-ribose _chem_comp.type L-SACCHARIDE _chem_comp.pdbx_type ATOMS _chem_comp.formula "C5 H10 O5" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms ? _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 2013-12-10 _chem_comp.pdbx_modified_date 2020-06-24 _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 150.130 _chem_comp.one_letter_code ? _chem_comp.three_letter_code ROR _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 4NS9 _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 ROR C5 C1 C 0 1 N N N 19.453 6.391 14.717 2.388 0.491 -0.443 C1 ROR 1 ROR O5 O1 O 0 1 N N N 19.696 5.962 13.388 3.599 -0.065 0.073 O1 ROR 2 ROR C4 C2 C 0 1 N N S 20.642 6.033 15.592 1.191 -0.142 0.271 C2 ROR 3 ROR O4 O2 O 0 1 N N N 20.958 4.653 15.447 1.132 -1.535 -0.043 O2 ROR 4 ROR C3 C3 C 0 1 N N S 20.354 6.365 17.063 -0.098 0.540 -0.192 C3 ROR 5 ROR O3 O3 O 0 1 N N N 21.500 6.056 17.846 -0.038 1.933 0.122 O3 ROR 6 ROR C2 C4 C 0 1 N N S 19.129 5.631 17.627 -1.294 -0.092 0.521 C4 ROR 7 ROR O2 O4 O 0 1 N N N 19.034 4.334 17.059 -1.354 -1.485 0.208 O4 ROR 8 ROR C1 C5 C 0 1 N N N 17.850 6.419 17.343 -2.564 0.580 0.066 C5 ROR 9 ROR O1 O5 O 0 1 N N N 16.764 6.025 17.797 -3.430 -0.067 -0.472 O5 ROR 10 ROR H51 H1 H 0 1 N N N 19.304 7.481 14.729 2.382 1.568 -0.276 H1 ROR 11 ROR H52 H2 H 0 1 N N N 18.551 5.894 15.103 2.322 0.288 -1.512 H2 ROR 12 ROR HO5 H3 H 0 1 N N N 18.952 6.186 12.841 4.400 0.291 -0.334 H3 ROR 13 ROR H4 H4 H 0 1 N N N 21.500 6.641 15.269 1.302 -0.016 1.348 H4 ROR 14 ROR HO4 H5 H 0 1 N N N 21.702 4.439 15.997 1.033 -1.722 -0.987 H5 ROR 15 ROR H3 H6 H 0 1 N N N 20.154 7.445 17.128 -0.209 0.415 -1.269 H6 ROR 16 ROR HO3 H7 H 0 1 N N N 21.326 6.260 18.757 0.061 2.120 1.065 H7 ROR 17 ROR H2 H8 H 0 1 N N N 19.249 5.551 18.717 -1.183 0.033 1.599 H8 ROR 18 ROR HO2 H9 H 0 1 N N N 18.119 4.099 16.955 -1.453 -1.672 -0.736 H9 ROR 19 ROR H1 H10 H 0 1 N N N 17.891 7.319 16.747 -2.699 1.640 0.220 H10 ROR 20 # # 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 ROR O5 C5 SING N N 1 ROR C5 C4 SING N N 2 ROR O4 C4 SING N N 3 ROR C4 C3 SING N N 4 ROR O2 C2 SING N N 5 ROR C3 C2 SING N N 6 ROR C3 O3 SING N N 7 ROR C1 C2 SING N N 8 ROR C1 O1 DOUB N N 9 ROR C5 H51 SING N N 10 ROR C5 H52 SING N N 11 ROR O5 HO5 SING N N 12 ROR C4 H4 SING N N 13 ROR O4 HO4 SING N N 14 ROR C3 H3 SING N N 15 ROR O3 HO3 SING N N 16 ROR C2 H2 SING N N 17 ROR O2 HO2 SING N N 18 ROR C1 H1 SING N N 19 # # 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 ROR SMILES ACDLabs 12.01 "O=CC(O)C(O)C(O)CO" ROR InChI InChI 1.03 "InChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h1,3-5,7-10H,2H2/t3-,4+,5-/m1/s1" ROR InChIKey InChI 1.03 PYMYPHUHKUWMLA-MROZADKFSA-N ROR SMILES_CANONICAL CACTVS 3.385 "OC[C@H](O)[C@H](O)[C@H](O)C=O" ROR SMILES CACTVS 3.385 "OC[CH](O)[CH](O)[CH](O)C=O" ROR SMILES_CANONICAL "OpenEye OEToolkits" 1.7.6 "C([C@@H]([C@@H]([C@@H](C=O)O)O)O)O" ROR SMILES "OpenEye OEToolkits" 1.7.6 "C(C(C(C(C=O)O)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 ROR "SYSTEMATIC NAME" ACDLabs 12.01 L-ribose ROR "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.7.6 "(2S,3S,4S)-2,3,4,5-tetrakis(oxidanyl)pentanal" # # loop_ _pdbx_chem_comp_audit.comp_id _pdbx_chem_comp_audit.action_type _pdbx_chem_comp_audit.date _pdbx_chem_comp_audit.processing_site ROR "Create component" 2013-12-10 PDBJ ROR "Initial release" 2014-05-28 RCSB ROR "Modify atom id" 2020-06-24 RCSB ##