data_5RP # _chem_comp.id 5RP _chem_comp.name RIBULOSE-5-PHOSPHATE _chem_comp.type SACCHARIDE _chem_comp.pdbx_type ATOMS _chem_comp.formula "C5 H11 O8 P" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms ? _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 2004-07-09 _chem_comp.pdbx_modified_date 2011-06-04 _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 230.110 _chem_comp.one_letter_code ? _chem_comp.three_letter_code 5RP _chem_comp.pdbx_model_coordinates_details ? _chem_comp.pdbx_model_coordinates_missing_flag N _chem_comp.pdbx_ideal_coordinates_details ? _chem_comp.pdbx_ideal_coordinates_missing_flag N _chem_comp.pdbx_model_coordinates_db_code 1TKU _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 5RP C2 C2 C 0 1 N N N -10.611 -0.539 -6.150 0.853 0.562 3.898 C2 5RP 1 5RP C3 C3 C 0 1 N N N -9.553 -0.968 -7.138 -0.313 -0.009 3.136 C3 5RP 2 5RP C5 C5 C 0 1 N N R -8.326 -1.719 -6.626 -0.635 0.501 1.755 C5 5RP 3 5RP O13 O13 O 0 1 N N N -7.083 -1.368 -7.274 -2.040 0.391 1.522 O13 5RP 4 5RP C6 C6 C 0 1 N N R -8.547 -3.282 -6.680 0.120 -0.329 0.716 C6 5RP 5 5RP O14 O14 O 0 1 N N N -7.346 -3.973 -6.278 1.526 -0.219 0.949 O14 5RP 6 5RP C7 C7 C 0 1 N N N -8.957 -3.824 -8.087 -0.205 0.189 -0.685 C7 5RP 7 5RP O8 O8 O 0 1 N N N -10.369 -3.643 -8.263 0.500 -0.586 -1.656 O8 5RP 8 5RP P9 P9 P 0 1 N N N -11.362 -4.816 -8.735 0.112 0.010 -3.100 P9 5RP 9 5RP O12 O12 O 0 1 N N N -11.606 -5.894 -7.570 0.515 1.432 -3.170 O12 5RP 10 5RP O11 O11 O 0 1 N N N -10.786 -5.567 -10.034 0.877 -0.820 -4.248 O11 5RP 11 5RP O10 O10 O 0 1 N N N -12.728 -4.088 -9.149 -1.477 -0.108 -3.320 O10 5RP 12 5RP O4 O4 O 0 1 N N N -9.656 -0.728 -8.332 -0.991 -0.876 3.632 O4 5RP 13 5RP O1 O1 O 0 1 N N N -11.926 -0.543 -6.743 0.952 -0.078 5.171 O1 5RP 14 5RP H21 1H2 H 0 1 N N N -10.579 -1.160 -5.224 0.705 1.633 4.041 H21 5RP 15 5RP H22 2H2 H 0 1 N N N -10.370 0.452 -5.700 1.772 0.395 3.335 H22 5RP 16 5RP H5 H5 H 0 1 N N N -8.218 -1.388 -5.566 -0.334 1.545 1.675 H5 5RP 17 5RP H13 H13 H 0 1 N N N -6.319 -1.835 -6.955 -2.264 -0.546 1.602 H13 5RP 18 5RP H6 H6 H 0 1 N N N -9.392 -3.477 -5.980 -0.180 -1.373 0.796 H6 5RP 19 5RP H14 H14 H 0 1 N N N -7.478 -4.913 -6.310 1.750 0.718 0.869 H14 5RP 20 5RP H71 1H7 H 0 1 N N N -8.363 -3.361 -8.909 -1.277 0.105 -0.863 H71 5RP 21 5RP H72 2H7 H 0 1 N N N -8.641 -4.882 -8.243 0.095 1.233 -0.766 H72 5RP 22 5RP H11 H11 H 0 1 N N N -11.372 -6.260 -10.312 0.617 -0.432 -5.094 H11 5RP 23 5RP H10 H10 H 0 1 N N N -13.314 -4.781 -9.427 -1.697 -1.049 -3.267 H10 5RP 24 5RP HO1 HO1 H 0 1 N N N -12.591 -0.273 -6.121 1.709 0.315 5.625 HO1 5RP 25 # 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 5RP C2 C3 SING N N 1 5RP C2 O1 SING N N 2 5RP C2 H21 SING N N 3 5RP C2 H22 SING N N 4 5RP C3 C5 SING N N 5 5RP C3 O4 DOUB N N 6 5RP C5 O13 SING N N 7 5RP C5 C6 SING N N 8 5RP C5 H5 SING N N 9 5RP O13 H13 SING N N 10 5RP C6 O14 SING N N 11 5RP C6 C7 SING N N 12 5RP C6 H6 SING N N 13 5RP O14 H14 SING N N 14 5RP C7 O8 SING N N 15 5RP C7 H71 SING N N 16 5RP C7 H72 SING N N 17 5RP O8 P9 SING N N 18 5RP P9 O12 DOUB N N 19 5RP P9 O11 SING N N 20 5RP P9 O10 SING N N 21 5RP O11 H11 SING N N 22 5RP O10 H10 SING N N 23 5RP O1 HO1 SING N N 24 # 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 5RP SMILES ACDLabs 10.04 "O=P(O)(O)OCC(O)C(O)C(=O)CO" 5RP SMILES_CANONICAL CACTVS 3.341 "OCC(=O)[C@H](O)[C@H](O)CO[P](O)(O)=O" 5RP SMILES CACTVS 3.341 "OCC(=O)[CH](O)[CH](O)CO[P](O)(O)=O" 5RP SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 "C([C@H]([C@H](C(=O)CO)O)O)OP(=O)(O)O" 5RP SMILES "OpenEye OEToolkits" 1.5.0 "C(C(C(C(=O)CO)O)O)OP(=O)(O)O" 5RP InChI InChI 1.03 "InChI=1S/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h4-6,8-9H,1-2H2,(H2,10,11,12)/t4-,5+/m1/s1" 5RP InChIKey InChI 1.03 FNZLKVNUWIIPSJ-UHNVWZDZSA-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 5RP "SYSTEMATIC NAME" ACDLabs 10.04 5-O-phosphono-D-ribulose 5RP "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 "[(2R,3R)-2,3,5-trihydroxy-4-oxo-pentyl] dihydrogen phosphate" # loop_ _pdbx_chem_comp_audit.comp_id _pdbx_chem_comp_audit.action_type _pdbx_chem_comp_audit.date _pdbx_chem_comp_audit.processing_site 5RP "Create component" 2004-07-09 RCSB 5RP "Modify descriptor" 2011-06-04 RCSB #