data_FPC # _chem_comp.id FPC _chem_comp.name "D-FRUCTOSE-6-PHOSPHATE (OPEN FORM)" _chem_comp.type NON-POLYMER _chem_comp.pdbx_type HETAIN _chem_comp.formula "C6 H15 O9 P" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms ? _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 2000-09-12 _chem_comp.pdbx_modified_date 2012-05-07 _chem_comp.pdbx_ambiguous_flag N _chem_comp.pdbx_release_status OBS _chem_comp.pdbx_replaced_by ? _chem_comp.pdbx_replaces ? _chem_comp.formula_weight 262.152 _chem_comp.one_letter_code ? _chem_comp.three_letter_code FPC _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 1FQO _chem_comp.pdbx_subcomponent_list ? _chem_comp.pdbx_processing_site EBI # 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 FPC O6 O6 O 0 1 N N N 15.155 8.413 22.114 2.424 -0.331 -0.378 O6 FPC 1 FPC C6 C6 C 0 1 N N N 15.439 9.613 22.404 1.259 0.303 0.154 C6 FPC 2 FPC C5 C5 C 0 1 N N R 15.940 10.518 21.332 0.008 -0.374 -0.408 C5 FPC 3 FPC O5 O5 O 0 1 N N N 14.863 11.326 20.920 -0.052 -1.724 0.056 O5 FPC 4 FPC C2 C2 C 0 1 N N R 18.460 9.753 20.016 -3.732 0.461 -0.029 C2 FPC 5 FPC C1 C1 C 0 1 N N N 17.330 10.368 19.301 -4.986 -0.287 -0.486 C1 FPC 6 FPC O1 O1 O 0 1 N N N 16.203 9.537 18.983 -6.146 0.477 -0.149 O1 FPC 7 FPC O2 O2 O 0 1 N N N 19.236 9.615 18.973 -3.724 0.550 1.397 O2 FPC 8 FPC O3 O3 O 0 1 N N N 19.660 11.327 21.808 -2.547 -1.646 -0.036 O3 FPC 9 FPC C3 C3 C 0 1 N N S 18.484 10.907 21.024 -2.488 -0.296 -0.499 C3 FPC 10 FPC C4 C4 C 0 1 N N R 17.200 11.354 21.693 -1.237 0.382 0.062 C4 FPC 11 FPC O4 O4 O 0 1 N N N 17.364 11.465 23.070 -1.177 1.732 -0.401 O4 FPC 12 FPC P P P 0 1 N N N 13.945 7.797 21.456 3.921 0.126 -0.001 P FPC 13 FPC O1P O1P O 0 1 N N N 12.685 8.260 21.885 4.082 1.570 -0.286 O1P FPC 14 FPC O2P O2P O 0 1 N N N 14.229 6.437 22.013 4.187 -0.145 1.564 O2P FPC 15 FPC O3P O3P O 0 1 N N N 14.270 7.940 20.067 4.976 -0.715 -0.878 O3P FPC 16 FPC H61 H61 H 0 1 N N N 14.525 10.071 22.811 1.262 0.217 1.240 H61 FPC 17 FPC H62 H62 H 0 1 N N N 16.212 9.581 23.186 1.259 1.357 -0.126 H62 FPC 18 FPC H5 H5 H 0 1 N N N 16.228 9.880 20.484 0.048 -0.365 -1.497 H5 FPC 19 FPC HO5 HO5 H 0 1 N N N 15.153 11.916 20.234 -0.090 -1.808 1.018 HO5 FPC 20 FPC H2 H2 H 0 1 N N N 18.172 8.810 20.504 -3.731 1.463 -0.456 H2 FPC 21 FPC H11 H11 H 0 1 N N N 16.961 11.197 19.923 -4.949 -0.433 -1.566 H11 FPC 22 FPC H12 H12 H 0 1 N N N 17.720 10.767 18.353 -5.033 -1.256 0.010 H12 FPC 23 FPC HO1 HO1 H 0 1 N N N 15.549 10.052 18.526 -6.980 0.063 -0.410 HO1 FPC 24 FPC HO2 HO2 H 0 1 N N N 20.056 9.216 19.239 -3.725 -0.307 1.845 HO2 FPC 25 FPC HO3 HO3 H 0 1 N N N 19.426 12.063 22.362 -2.585 -1.730 0.927 HO3 FPC 26 FPC H3 H3 H 0 1 N N N 18.528 11.718 20.282 -2.448 -0.287 -1.589 H3 FPC 27 FPC H4 H4 H 0 1 N N N 16.999 12.364 21.307 -1.277 0.373 1.152 H4 FPC 28 FPC HO4 HO4 H 0 1 N N N 18.140 11.980 23.256 -1.139 1.816 -1.364 HO4 FPC 29 FPC HOP2 HOP2 H 0 0 N N N 13.497 6.155 22.549 4.097 -1.072 1.823 HOP2 FPC 30 FPC HOP3 HOP3 H 0 0 N N N 13.544 8.351 19.612 5.900 -0.492 -0.703 HOP3 FPC 31 # 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 FPC O6 C6 SING N N 1 FPC O6 P SING N N 2 FPC C6 C5 SING N N 3 FPC C6 H61 SING N N 4 FPC C6 H62 SING N N 5 FPC C5 O5 SING N N 6 FPC C5 C4 SING N N 7 FPC C5 H5 SING N N 8 FPC O5 HO5 SING N N 9 FPC C2 C1 SING N N 10 FPC C2 O2 SING N N 11 FPC C2 C3 SING N N 12 FPC C2 H2 SING N N 13 FPC C1 O1 SING N N 14 FPC C1 H11 SING N N 15 FPC C1 H12 SING N N 16 FPC O1 HO1 SING N N 17 FPC O2 HO2 SING N N 18 FPC O3 C3 SING N N 19 FPC O3 HO3 SING N N 20 FPC C3 C4 SING N N 21 FPC C3 H3 SING N N 22 FPC C4 O4 SING N N 23 FPC C4 H4 SING N N 24 FPC O4 HO4 SING N N 25 FPC P O1P DOUB N N 26 FPC P O2P SING N N 27 FPC P O3P SING N N 28 FPC O2P HOP2 SING N N 29 FPC O3P HOP3 SING N N 30 # 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 FPC SMILES ACDLabs 12.01 "O=P(OCC(O)C(O)C(O)C(O)CO)(O)O" FPC InChI InChI 1.03 "InChI=1S/C6H15O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h3-11H,1-2H2,(H2,12,13,14)/t3-,4-,5+,6-/m1/s1" FPC InChIKey InChI 1.03 GACTWZZMVMUKNG-ARQDHWQXSA-N FPC SMILES_CANONICAL CACTVS 3.370 "OC[C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO[P](O)(O)=O" FPC SMILES CACTVS 3.370 "OC[CH](O)[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O" FPC SMILES_CANONICAL "OpenEye OEToolkits" 1.7.6 "C([C@H]([C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)O" FPC SMILES "OpenEye OEToolkits" 1.7.6 "C(C(C(C(C(COP(=O)(O)O)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 FPC "SYSTEMATIC NAME" ACDLabs 12.01 6-O-phosphono-D-altritol FPC "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.7.6 "[(2R,3R,4S,5R)-2,3,4,5,6-pentakis(oxidanyl)hexyl] 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 FPC "Create component" 2000-09-12 EBI FPC "Modify descriptor" 2011-06-04 RCSB FPC "Obsolete component" 2012-05-07 RCSB #