data_R1X # _chem_comp.id R1X _chem_comp.name "1,4-anhydro-D-ribitol" _chem_comp.type D-saccharide _chem_comp.pdbx_type ATOMS _chem_comp.formula "C5 H10 O4" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms 1-deoxyribose _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 2008-10-03 _chem_comp.pdbx_modified_date 2020-07-17 _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 134.130 _chem_comp.one_letter_code ? _chem_comp.three_letter_code R1X _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 3ENZ _chem_comp.pdbx_subcomponent_list ? _chem_comp.pdbx_processing_site RCSB # _pdbx_chem_comp_synonyms.ordinal 1 _pdbx_chem_comp_synonyms.comp_id R1X _pdbx_chem_comp_synonyms.name 1-deoxyribose _pdbx_chem_comp_synonyms.provenance PDB _pdbx_chem_comp_synonyms.type ? # # 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 R1X O2 "O2'" O 0 1 N N N 55.019 25.335 23.207 2.761 0.071 0.234 O2 R1X 1 R1X C2 "C2'" C 0 1 N N S 55.295 26.077 24.380 1.414 0.398 0.582 C2 R1X 2 R1X C3 "C3'" C 0 1 N N S 54.071 26.712 25.134 0.466 -0.795 0.305 C3 R1X 3 R1X O3 "O3'" O 0 1 N N N 52.902 27.154 24.337 1.060 -1.698 -0.630 O3 R1X 4 R1X C1 "C1'" C 0 1 N N N 56.334 27.196 24.088 0.848 1.488 -0.362 C1 R1X 5 R1X O4 "O4'" O 0 1 N N N 55.907 28.235 25.015 -0.580 1.277 -0.303 O4 R1X 6 R1X C4 "C4'" C 0 1 N N R 54.728 27.940 25.769 -0.794 -0.145 -0.298 C4 R1X 7 R1X C5 "C5'" C 0 1 N N N 55.060 27.743 27.250 -2.015 -0.484 0.558 C5 R1X 8 R1X O5 "O5'" O 0 1 N N N 55.549 28.937 27.895 -3.194 0.025 -0.070 O5 R1X 9 R1X HO2 "HO2'" H 0 1 N Y N 54.957 25.926 22.465 3.392 0.786 0.390 HO2 R1X 10 R1X H2 "H2'" H 0 1 N N N 55.685 25.311 25.066 1.349 0.712 1.624 H2 R1X 11 R1X H3 "H3'" H 0 1 N N N 53.615 25.955 25.789 0.222 -1.312 1.233 H3 R1X 12 R1X HO3 "HO3'" H 0 1 N Y N 52.147 27.249 24.906 1.888 -2.093 -0.324 HO3 R1X 13 R1X H1 "H1'" H 0 1 N N N 57.366 26.866 24.279 1.104 2.483 0.003 H1 R1X 14 R1X "H1'A" "H1'A" H 0 0 N N N 56.359 27.519 23.037 1.215 1.344 -1.378 "H1'A" R1X 15 R1X H4 "H4'" H 0 1 N N N 54.019 28.780 25.739 -0.943 -0.501 -1.317 H4 R1X 16 R1X H51 "H5'" H 0 1 N N N 54.142 27.426 27.767 -2.097 -1.566 0.663 H51 R1X 17 R1X H52 "H5'A" H 0 1 N N N 55.861 26.991 27.307 -1.905 -0.031 1.544 H52 R1X 18 R1X HO5 "HO5'" H 0 1 N Y N 55.657 28.774 28.825 -4.008 -0.154 0.419 HO5 R1X 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 R1X O2 C2 SING N N 1 R1X O2 HO2 SING N N 2 R1X C1 C2 SING N N 3 R1X C2 C3 SING N N 4 R1X C2 H2 SING N N 5 R1X O3 C3 SING N N 6 R1X C3 C4 SING N N 7 R1X C3 H3 SING N N 8 R1X O3 HO3 SING N N 9 R1X C1 O4 SING N N 10 R1X C1 H1 SING N N 11 R1X C1 "H1'A" SING N N 12 R1X O4 C4 SING N N 13 R1X C4 C5 SING N N 14 R1X C4 H4 SING N N 15 R1X C5 O5 SING N N 16 R1X C5 H51 SING N N 17 R1X C5 H52 SING N N 18 R1X O5 HO5 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 R1X SMILES ACDLabs 10.04 "OCC1OCC(O)C1O" R1X SMILES_CANONICAL CACTVS 3.341 "OC[C@H]1OC[C@H](O)[C@@H]1O" R1X SMILES CACTVS 3.341 "OC[CH]1OC[CH](O)[CH]1O" R1X SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 "C1[C@@H]([C@@H]([C@H](O1)CO)O)O" R1X SMILES "OpenEye OEToolkits" 1.5.0 "C1C(C(C(O1)CO)O)O" R1X InChI InChI 1.03 "InChI=1S/C5H10O4/c6-1-4-5(8)3(7)2-9-4/h3-8H,1-2H2/t3-,4+,5-/m0/s1" R1X InChIKey InChI 1.03 KZVAAIRBJJYZOW-LMVFSUKVSA-N # # 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 R1X "SYSTEMATIC NAME" ACDLabs 10.04 "1,4-anhydro-D-ribitol" R1X "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 "(2R,3S,4S)-2-(hydroxymethyl)oxolane-3,4-diol" R1X "IUPAC CARBOHYDRATE SYMBOL" PDB-CARE 1.0 D-1-deoxy-Ribf # # loop_ _pdbx_chem_comp_feature.comp_id _pdbx_chem_comp_feature.type _pdbx_chem_comp_feature.value _pdbx_chem_comp_feature.source _pdbx_chem_comp_feature.support R1X "CARBOHYDRATE ISOMER" D PDB ? R1X "CARBOHYDRATE RING" furanose PDB ? R1X "CARBOHYDRATE PRIMARY CARBONYL GROUP" aldose PDB ? # # loop_ _pdbx_chem_comp_audit.comp_id _pdbx_chem_comp_audit.action_type _pdbx_chem_comp_audit.date _pdbx_chem_comp_audit.processing_site R1X "Create component" 2008-10-03 RCSB R1X "Modify descriptor" 2011-06-04 RCSB R1X "Other modification" 2020-07-03 RCSB R1X "Modify internal type" 2020-07-17 RCSB R1X "Modify atom id" 2020-07-17 RCSB R1X "Modify component atom id" 2020-07-17 RCSB R1X "Modify leaving atom flag" 2020-07-17 RCSB ##