data_RBL # _chem_comp.id RBL _chem_comp.name D-ribulose _chem_comp.type D-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 2009-01-26 _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 RBL _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 2ZYD _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 RBL C1 C2 C 0 1 N N N -2.912 26.664 40.559 2.050 0.842 0.484 C2 RBL 1 RBL C2 C3 C 0 1 N N N -2.044 27.561 39.692 1.307 -0.380 0.011 C3 RBL 2 RBL C3 C5 C 0 1 N N R -1.065 26.940 38.723 -0.078 -0.669 0.532 C5 RBL 3 RBL O3 O13 O 0 1 N N N 0.216 27.570 38.857 -0.384 -2.050 0.331 O13 RBL 4 RBL C4 C6 C 0 1 N N R -1.535 27.087 37.267 -1.095 0.193 -0.218 C6 RBL 5 RBL O4 O14 O 0 1 N N N -2.944 27.348 37.162 -0.789 1.575 -0.017 O14 RBL 6 RBL C5 C7 C 0 1 N N N -1.185 25.815 36.506 -2.500 -0.100 0.310 C7 RBL 7 RBL O5 O8 O 0 1 N N N -1.347 26.050 35.110 -3.461 0.618 -0.467 O8 RBL 8 RBL O2 O4 O 0 1 N N N -2.121 28.772 39.786 1.821 -1.128 -0.786 O4 RBL 9 RBL O1 O1 O 0 1 N N N -3.838 27.438 41.333 3.331 0.896 -0.148 O1 RBL 10 RBL H11 H2 H 0 1 N N N -3.475 25.976 39.911 1.481 1.736 0.228 H2 RBL 11 RBL H12 H2A H 0 1 N N N -2.261 26.104 41.247 2.181 0.793 1.565 H2A RBL 12 RBL H3 H5 H 0 1 N N N -0.997 25.869 38.964 -0.121 -0.438 1.596 H5 RBL 13 RBL HO3 HO13 H 0 0 N N N 0.592 27.709 37.996 -0.364 -2.326 -0.596 HO13 RBL 14 RBL H4 H6 H 0 1 N N N -1.019 27.956 36.833 -1.052 -0.037 -1.283 H6 RBL 15 RBL HO4 HO14 H 0 0 N N N -3.322 27.406 38.032 -0.808 1.851 0.909 HO14 RBL 16 RBL H51 H7 H 0 1 N N N -0.142 25.535 36.715 -2.700 -1.169 0.238 H7 RBL 17 RBL H52 H7A H 0 1 N N N -1.848 24.997 36.824 -2.569 0.214 1.352 H7A RBL 18 RBL HO5 HO8 H 0 1 N N N -1.383 26.985 34.948 -4.376 0.479 -0.188 HO8 RBL 19 RBL HO1 HO1 H 0 1 N N N -3.468 27.609 42.191 3.865 1.659 0.111 HO1 RBL 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 RBL C1 C2 SING N N 1 RBL C1 O1 SING N N 2 RBL C2 C3 SING N N 3 RBL C2 O2 DOUB N N 4 RBL C3 O3 SING N N 5 RBL C3 C4 SING N N 6 RBL C4 O4 SING N N 7 RBL C4 C5 SING N N 8 RBL C5 O5 SING N N 9 RBL C1 H11 SING N N 10 RBL C1 H12 SING N N 11 RBL C3 H3 SING N N 12 RBL O3 HO3 SING N N 13 RBL C4 H4 SING N N 14 RBL O4 HO4 SING N N 15 RBL C5 H51 SING N N 16 RBL C5 H52 SING N N 17 RBL O5 HO5 SING N N 18 RBL O1 HO1 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 RBL SMILES ACDLabs 10.04 "O=C(CO)C(O)C(O)CO" RBL SMILES_CANONICAL CACTVS 3.341 "OC[C@@H](O)[C@@H](O)C(=O)CO" RBL SMILES CACTVS 3.341 "OC[CH](O)[CH](O)C(=O)CO" RBL SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 "C([C@H]([C@H](C(=O)CO)O)O)O" RBL SMILES "OpenEye OEToolkits" 1.5.0 "C(C(C(C(=O)CO)O)O)O" RBL InChI InChI 1.03 "InChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h3,5-8,10H,1-2H2/t3-,5-/m1/s1" RBL InChIKey InChI 1.03 ZAQJHHRNXZUBTE-NQXXGFSBSA-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 RBL "SYSTEMATIC NAME" ACDLabs 10.04 D-ribulose RBL "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 "(3R,4R)-1,3,4,5-tetrahydroxypentan-2-one" # # loop_ _pdbx_chem_comp_audit.comp_id _pdbx_chem_comp_audit.action_type _pdbx_chem_comp_audit.date _pdbx_chem_comp_audit.processing_site RBL "Create component" 2009-01-26 PDBJ RBL "Modify descriptor" 2011-06-04 RCSB RBL "Initial release" 2013-11-27 RCSB RBL "Modify atom id" 2020-06-24 RCSB ##