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                    2008-10-14 
_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                        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        ? 
_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 0.599  -0.479 -2.470 O6   FPC 1  
FPC C6   C6   C 0 1 N N N 15.439 9.613  22.404 -0.148 0.003  -1.352 C6   FPC 2  
FPC C5   C5   C 0 1 N N R 15.940 10.518 21.332 0.482  -0.509 -0.056 C5   FPC 3  
FPC O5   O5   O 0 1 N N N 14.863 11.326 20.920 1.829  -0.042 0.035  O5   FPC 4  
FPC C2   C2   C 0 1 N N R 18.460 9.753  20.016 -0.490 0.011  3.632  C2   FPC 5  
FPC C1   C1   C 0 1 N N N 17.330 10.368 19.301 0.140  -0.500 4.928  C1   FPC 6  
FPC O1   O1   O 0 1 N N N 16.203 9.537  18.983 -0.608 -0.018 6.046  O1   FPC 7  
FPC O2   O2   O 0 1 N N N 19.236 9.615  18.973 -0.480 1.440  3.630  O2   FPC 8  
FPC O3   O3   O 0 1 N N N 19.660 11.327 21.808 1.658  -0.037 2.527  O3   FPC 9  
FPC C3   C3   C 0 1 N N S 18.484 10.907 21.024 0.311  -0.505 2.436  C3   FPC 10 
FPC C4   C4   C 0 1 N N R 17.200 11.354 21.693 -0.319 0.007  1.140  C4   FPC 11 
FPC O4   O4   O 0 1 N N N 17.364 11.465 23.070 -1.666 -0.460 1.048  O4   FPC 12 
FPC P    P    P 0 1 N N N 13.945 7.797  21.456 -0.115 0.094  -3.792 P    FPC 13 
FPC O1P  O1P  O 0 1 N N N 12.685 8.260  21.885 -0.107 1.574  -3.754 O1P  FPC 14 
FPC O2P  O2P  O 0 1 N N N 14.229 6.437  22.013 0.680  -0.412 -5.097 O2P  FPC 15 
FPC O3P  O3P  O 0 1 N N N 14.270 7.940  20.067 -1.635 -0.432 -3.852 O3P  FPC 16 
FPC H61  1H6  H 0 1 N N N 14.551 10.085 22.885 -1.176 -0.353 -1.422 H61  FPC 17 
FPC H62  2H6  H 0 1 N N N 16.170 9.614  23.245 -0.141 1.093  -1.354 H62  FPC 18 
FPC H5   H5   H 0 1 N N N 16.308 9.878  20.496 0.474  -1.599 -0.055 H5   FPC 19 
FPC HO5  HO5  H 0 1 N N N 15.182 11.903 20.236 1.790  0.924  0.030  HO5  FPC 20 
FPC H2   H2   H 0 1 N N N 18.601 8.799  20.576 -1.518 -0.344 3.562  H2   FPC 21 
FPC H11  1H1  H 0 1 N N N 16.978 11.259 19.870 1.168  -0.144 4.998  H11  FPC 22 
FPC H12  2H1  H 0 1 N N N 17.705 10.848 18.367 0.133  -1.590 4.930  H12  FPC 23 
FPC HO1  HO1  H 0 1 N N N 15.473 9.933  18.521 -0.178 -0.363 6.840  HO1  FPC 24 
FPC HO2  HO2  H 0 1 N N N 19.965 9.218  19.434 0.444  1.714  3.693  HO2  FPC 25 
FPC HO3  HO3  H 0 1 N N N 19.674 12.042 22.432 1.619  0.928  2.523  HO3  FPC 26 
FPC H3   H3   H 0 1 N N N 18.683 11.435 20.062 0.303  -1.595 2.437  H3   FPC 27 
FPC H4   H4   H 0 1 N N N 16.992 12.364 21.269 -0.312 1.097  1.138  H4   FPC 28 
FPC HO4  HO4  H 0 1 N N N 18.134 11.975 23.290 -1.628 -1.426 1.052  HO4  FPC 29 
FPC HOP2 2HOP H 0 0 N N N 13.467 6.049  21.598 0.220  -0.047 -5.865 HOP2 FPC 30 
FPC HOP3 3HOP H 0 0 N N N 13.508 7.552  19.652 -1.596 -1.398 -3.876 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              10.04 O=P(O)(O)OCC(O)C(O)C(O)C(O)CO                                                                                    
FPC InChI            InChI                1.02b InChI=1/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/f/h12-13H 
FPC InChIKey         InChI                1.02b GACTWZZMVMUKNG-KXEQWXQFDQ                                                                                        
FPC SMILES_CANONICAL CACTVS               3.341 OC[C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO[P](O)(O)=O                                                                 
FPC SMILES           CACTVS               3.341 OC[CH](O)[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O                                                                      
FPC SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 C([C@H]([C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)O                                                               
FPC SMILES           "OpenEye OEToolkits" 1.5.0 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              10.04 6-O-phosphono-D-altritol                                           
FPC "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 "[(2R,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexyl] dihydrogen phosphate" 
# 
