data_R5P
# 
_chem_comp.id                                    R5P 
_chem_comp.name                                  RIBOSE-5-PHOSPHATE 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             ATOMS 
_chem_comp.formula                               "C5 H13 O8 P" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2001-06-19 
_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                         OR5 
_chem_comp.formula_weight                        232.126 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     R5P 
_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        1JCY 
_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 
R5P C1   C1   C 0 1 N N N 35.417 51.390 17.968 0.697  -0.370 4.233  C1   R5P 1  
R5P O1   O1   O 0 1 N N N 35.199 50.436 18.671 0.206  0.106  5.488  O1   R5P 2  
R5P C2   C2   C 0 1 N N S 34.794 52.742 18.326 -0.090 0.281  3.096  C2   R5P 3  
R5P O2   O2   O 0 1 N N N 33.370 52.746 18.226 -1.474 -0.051 3.223  O2   R5P 4  
R5P C3   C3   C 0 1 N N S 35.213 53.741 17.270 0.436  -0.229 1.753  C3   R5P 5  
R5P O3   O3   O 0 1 N N N 34.413 53.714 16.067 1.819  0.103  1.626  O3   R5P 6  
R5P C4   C4   C 0 1 N N R 36.725 53.720 17.532 -0.351 0.422  0.615  C4   R5P 7  
R5P O4   O4   O 0 1 N N N 37.465 53.834 18.760 -1.735 0.090  0.742  O4   R5P 8  
R5P C5   C5   C 0 1 N N N 37.114 54.723 16.486 0.174  -0.088 -0.727 C5   R5P 9  
R5P O5   O5   O 0 1 N N N 38.528 54.676 16.380 -0.561 0.521  -1.790 O5   R5P 10 
R5P P    P    P 0 1 N N N 39.428 55.624 15.505 0.041  -0.058 -3.165 P    R5P 11 
R5P O1P  O1P  O 0 1 N N N 40.780 55.502 16.113 -0.117 -1.529 -3.192 O1P  R5P 12 
R5P O2P  O2P  O 0 1 N N N 39.336 55.030 14.148 -0.745 0.588  -4.412 O2P  R5P 13 
R5P O3P  O3P  O 0 1 N N N 38.865 57.005 15.590 1.604  0.314  -3.265 O3P  R5P 14 
R5P H11  H11  H 0 1 N N N 36.520 51.519 17.873 1.753  -0.116 4.137  H11  R5P 15 
R5P H12  H12  H 0 1 N N N 35.135 51.133 16.920 0.578  -1.452 4.184  H12  R5P 16 
R5P HO1  HO1  H 0 1 N N N 35.585 49.597 18.448 0.728  -0.327 6.176  HO1  R5P 17 
R5P HC2  HC2  H 0 1 N N N 35.120 52.970 19.367 0.029  1.363  3.145  HC2  R5P 18 
R5P HO2  HO2  H 0 1 N N N 32.983 53.584 18.448 -1.535 -1.014 3.174  HO2  R5P 19 
R5P HC3  HC3  H 0 1 N N N 34.970 54.827 17.213 0.316  -1.311 1.704  HC3  R5P 20 
R5P HO3  HO3  H 0 1 N N N 34.676 54.341 15.403 1.881  1.067  1.674  HO3  R5P 21 
R5P HC4  HC4  H 0 1 N N N 37.023 52.645 17.551 -0.232 1.505  0.664  HC4  R5P 22 
R5P HO4  HO4  H 0 1 N N N 38.401 53.821 18.922 -1.797 -0.873 0.693  HO4  R5P 23 
R5P H51  H51  H 0 1 N N N 36.594 54.566 15.511 1.230  0.165  -0.824 H51  R5P 24 
R5P H52  H52  H 0 1 N N N 36.722 55.746 16.691 0.054  -1.170 -0.776 H52  R5P 25 
R5P HOP2 2HOP H 0 0 N N N 39.879 55.602 13.619 -0.354 0.216  -5.214 HOP2 R5P 26 
R5P HOP3 3HOP H 0 0 N N N 39.408 57.577 15.061 1.663  1.279  -3.245 HOP3 R5P 27 
# 
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 
R5P C1  O1   SING N N 1  
R5P C1  C2   SING N N 2  
R5P C1  H11  SING N N 3  
R5P C1  H12  SING N N 4  
R5P O1  HO1  SING N N 5  
R5P C2  O2   SING N N 6  
R5P C2  C3   SING N N 7  
R5P C2  HC2  SING N N 8  
R5P O2  HO2  SING N N 9  
R5P C3  O3   SING N N 10 
R5P C3  C4   SING N N 11 
R5P C3  HC3  SING N N 12 
R5P O3  HO3  SING N N 13 
R5P C4  O4   SING N N 14 
R5P C4  C5   SING N N 15 
R5P C4  HC4  SING N N 16 
R5P O4  HO4  SING N N 17 
R5P C5  O5   SING N N 18 
R5P C5  H51  SING N N 19 
R5P C5  H52  SING N N 20 
R5P O5  P    SING N N 21 
R5P P   O1P  DOUB N N 22 
R5P P   O2P  SING N N 23 
R5P P   O3P  SING N N 24 
R5P O2P HOP2 SING N N 25 
R5P O3P HOP3 SING N N 26 
# 
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 
R5P SMILES           ACDLabs              10.04 O=P(O)(O)OCC(O)C(O)C(O)CO                                                                              
R5P InChI            InChI                1.02b InChI=1/C5H13O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h3-9H,1-2H2,(H2,10,11,12)/t3-,4+,5-/m0/s1/f/h10-11H 
R5P InChIKey         InChI                1.02b VJDOAZKNBQCAGE-UYXRDBCVDP                                                                              
R5P SMILES_CANONICAL CACTVS               3.341 OC[C@H](O)[C@H](O)[C@H](O)CO[P](O)(O)=O                                                                
R5P SMILES           CACTVS               3.341 OC[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O                                                                   
R5P SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 C([C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O                                                             
R5P SMILES           "OpenEye OEToolkits" 1.5.0 C(C(C(C(COP(=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 
R5P "SYSTEMATIC NAME" ACDLabs              10.04 5-O-phosphono-D-ribitol                                        
R5P "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 "[(2R,3S,4S)-2,3,4,5-tetrahydroxypentyl] dihydrogen phosphate" 
# 
