data_HSX
# 
_chem_comp.id                                    HSX 
_chem_comp.name                                  5-O-phosphono-alpha-D-ribofuranose 
_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                     2009-01-16 
_chem_comp.pdbx_modified_date                    2009-02-17
_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                        230.110 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     HSX 
_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        1ZN7 
_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 
HSX "C1'"  "C1'"  C 0 1 N N S 16.737 0.630  -11.289 -2.673 -1.241 0.524  "C1'"  HSX 1  
HSX "O1'"  "O1'"  O 0 1 N N N 16.493 0.087  -12.597 -1.242 -1.105 0.497  "O1'"  HSX 2  
HSX "C2'"  "C2'"  C 0 1 N N R 16.360 -0.485 -10.319 -3.269 0.179  0.557  "C2'"  HSX 3  
HSX "O2'"  "O2'"  O 0 1 N N N 16.979 -0.192 -9.055  -4.115 0.393  -0.575 "O2'"  HSX 4  
HSX "C3'"  "C3'"  C 0 1 N N S 17.076 -1.635 -11.026 -2.033 1.110  0.492  "C3'"  HSX 5  
HSX "O3'"  "O3'"  O 0 1 N N N 18.475 -1.659 -10.688 -2.278 2.224  -0.370 "O3'"  HSX 6  
HSX "C4'"  "C4'"  C 0 1 N N R 17.003 -1.265 -12.505 -0.953 0.175  -0.107 "C4'"  HSX 7  
HSX "C5'"  "C5'"  C 0 1 N N N 16.080 -2.205 -13.273 0.448  0.650  0.284  "C5'"  HSX 8  
HSX "O5'"  "O5'"  O 0 1 N N N 16.231 -1.811 -14.642 1.424  -0.222 -0.290 "O5'"  HSX 9  
HSX "P'"   "P'"   P 0 1 N N N 16.533 -2.835 -15.843 3.009  -0.020 -0.085 "P'"   HSX 10 
HSX O1X    O1X    O 0 1 N N N 15.579 -2.451 -16.897 3.391  1.346  -0.507 O1X    HSX 11 
HSX O2X    O2X    O 0 1 N N N 16.209 -4.327 -15.342 3.379  -0.226 1.468  O2X    HSX 12 
HSX O3X    O3X    O 0 1 N N N 18.060 -2.714 -16.331 3.806  -1.100 -0.974 O3X    HSX 13 
HSX O1     O1     O 0 1 N N N 18.124 0.927  -11.058 -3.118 -1.928 -0.648 O1     HSX 14 
HSX "H1'"  "H1'"  H 0 1 N N N 16.169 1.565  -11.171 -2.978 -1.792 1.414  "H1'"  HSX 15 
HSX "H2'"  "H2'"  H 0 1 N N N 15.293 -0.655 -10.115 -3.822 0.340  1.482  "H2'"  HSX 16 
HSX "HO2'" "HO2'" H 0 0 N N N 17.920 -0.127 -9.170  -4.875 -0.204 -0.615 "HO2'" HSX 17 
HSX "H3'"  "H3'"  H 0 1 N N N 16.626 -2.602 -10.758 -1.748 1.447  1.488  "H3'"  HSX 18 
HSX "HO3'" "HO3'" H 0 0 N N N 18.994 -1.664 -11.484 -3.008 2.790  -0.083 "HO3'" HSX 19 
HSX "H4'"  "H4'"  H 0 1 N N N 18.006 -1.348 -12.948 -1.051 0.118  -1.191 "H4'"  HSX 20 
HSX "H5'"  "H5'"  H 0 1 N N N 16.371 -3.256 -13.127 0.604  1.663  -0.086 "H5'"  HSX 21 
HSX "H5'A" "H5'A" H 0 0 N N N 15.037 -2.137 -12.932 0.546  0.640  1.369  "H5'A" HSX 22 
HSX HO2X   HO2X   H 0 0 N N N 16.145 -4.907 -16.092 3.155  -1.101 1.813  HO2X   HSX 23 
HSX HO3X   HO3X   H 0 0 N N N 18.089 -2.690 -17.280 4.768  -1.037 -0.900 HO3X   HSX 24 
HSX HO1    HO1    H 0 1 N N N 18.577 0.993  -11.890 -2.777 -2.829 -0.729 HO1    HSX 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 
HSX "O1'" "C1'"  SING N N 1  
HSX "C1'" O1     SING N N 2  
HSX "C1'" "C2'"  SING N N 3  
HSX "C1'" "H1'"  SING N N 4  
HSX "O1'" "C4'"  SING N N 5  
HSX "C3'" "C2'"  SING N N 6  
HSX "C2'" "O2'"  SING N N 7  
HSX "C2'" "H2'"  SING N N 8  
HSX "O2'" "HO2'" SING N N 9  
HSX "C4'" "C3'"  SING N N 10 
HSX "C3'" "O3'"  SING N N 11 
HSX "C3'" "H3'"  SING N N 12 
HSX "O3'" "HO3'" SING N N 13 
HSX "C5'" "C4'"  SING N N 14 
HSX "C4'" "H4'"  SING N N 15 
HSX "O5'" "C5'"  SING N N 16 
HSX "C5'" "H5'"  SING N N 17 
HSX "C5'" "H5'A" SING N N 18 
HSX "P'"  "O5'"  SING N N 19 
HSX O1X   "P'"   DOUB N N 20 
HSX O3X   "P'"   SING N N 21 
HSX "P'"  O2X    SING N N 22 
HSX O2X   HO2X   SING N N 23 
HSX O3X   HO3X   SING N N 24 
HSX O1    HO1    SING N N 25 
# 
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 
HSX SMILES           ACDLabs              10.04 O=P(O)(O)OCC1OC(O)C(O)C1O                                                                               
HSX InChI            InChI                1.02b InChI=1/C5H11O8P/c6-3-2(1-12-14(9,10)11)13-5(8)4(3)7/h2-8H,1H2,(H2,9,10,11)/t2-,3-,4-,5+/m1/s1/f/h9-10H 
HSX InChIKey         InChI                1.02b KTVPXOYAKDPRHY-SRNUALDODQ                                                                               
HSX SMILES_CANONICAL CACTVS               3.341 O[C@H]1O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]1O                                                            
HSX SMILES           CACTVS               3.341 O[CH]1O[CH](CO[P](O)(O)=O)[CH](O)[CH]1O                                                                 
HSX SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 C([C@@H]1[C@H]([C@H]([C@H](O1)O)O)O)OP(=O)(O)O                                                          
HSX SMILES           "OpenEye OEToolkits" 1.5.0 C(C1C(C(C(O1)O)O)O)OP(=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 
HSX "SYSTEMATIC NAME" ACDLabs              10.04 5-O-phosphono-alpha-D-ribofuranose                                       
HSX "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 "[(2R,3S,4R,5S)-3,4,5-trihydroxyoxolan-2-yl]methyl dihydrogen phosphate" 
# 
