data_RP5
# 
_chem_comp.id                                    RP5 
_chem_comp.name                                  "RIBOSE-5-PHOSPHATE, PYRANOSE FORM" 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C5 H11 O8 P" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         "[(2R,3S,4S,5R)-3,4,5-TRIHYDROXYTETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN PHOSPHATE" 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2003-04-30 
_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                        230.110 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     RP5 
_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        1OGE 
_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 
RP5 "C1'"  "C1'"  C 0 1 N N R 51.204 4.561  26.399 1.111  -0.337 2.688  "C1'"  RP5 1  
RP5 "O1'"  "O1'"  O 0 1 N N N 50.599 3.388  26.893 1.124  -0.262 1.245  "O1'"  RP5 2  
RP5 "C2'"  "C2'"  C 0 1 N N R 52.159 5.032  27.495 -0.134 0.469  3.116  "C2'"  RP5 3  
RP5 "O2'"  "O2'"  O 0 1 N N N 53.384 4.323  27.398 -0.776 -0.145 4.235  "O2'"  RP5 4  
RP5 "C3'"  "C3'"  C 0 1 N N S 51.426 4.589  28.757 -1.054 0.425  1.873  "C3'"  RP5 5  
RP5 "O3'"  "O3'"  O 0 1 N N N 52.400 4.392  29.774 -2.290 -0.220 2.186  "O3'"  RP5 6  
RP5 "C4'"  "C4'"  C 0 1 N N R 50.697 3.314  28.306 -0.255 -0.405 0.844  "C4'"  RP5 7  
RP5 "C5'"  "C5'"  C 0 1 N N N 49.298 3.189  28.944 -0.460 0.149  -0.566 "C5'"  RP5 8  
RP5 "O5'"  "O5'"  O 0 1 N N N 48.622 1.993  28.494 0.343  -0.587 -1.489 "O5'"  RP5 9  
RP5 "P'"   "P'"   P 0 1 N N N 48.925 0.678  29.320 0.079  0.046  -2.945 "P'"   RP5 10 
RP5 O1X    "O1P'" O 0 1 N N N 48.152 -0.448 28.755 0.464  1.475  -2.938 O1X    RP5 11 
RP5 O2X    "O2P'" O 0 1 N N N 50.425 0.355  29.228 0.958  -0.740 -4.041 O2X    RP5 12 
RP5 O3X    "O3P'" O 0 1 N N N 48.540 0.874  30.789 -1.482 -0.086 -3.314 O3X    RP5 13 
RP5 O1     O1     O 0 1 N Y N 50.140 5.451  26.176 2.295  0.252  3.228  O1     RP5 14 
RP5 "H1'"  "H1'"  H 0 1 N N N 51.779 4.449  25.468 1.022  -1.374 3.013  "H1'"  RP5 15 
RP5 "H2'"  "H2'"  H 0 1 N N N 52.396 6.106  27.454 0.140  1.497  3.351  "H2'"  RP5 16 
RP5 HA     HA     H 0 1 N N N 53.204 3.349  27.412 -0.158 -0.088 4.977  HA     RP5 17 
RP5 "H3'"  "H3'"  H 0 1 N N N 50.702 5.299  29.182 -1.234 1.430  1.494  "H3'"  RP5 18 
RP5 HB     HB     H 0 1 N N N 52.537 3.422  29.917 -2.743 0.341  2.829  HB     RP5 19 
RP5 "H4'"  "H4'"  H 0 1 N N N 51.255 2.422  28.628 -0.555 -1.452 0.886  "H4'"  RP5 20 
RP5 "H5'1" "1H5'" H 0 0 N N N 49.405 3.150  30.038 -1.510 0.057  -0.844 "H5'1" RP5 21 
RP5 "H5'2" "2H5'" H 0 0 N N N 48.699 4.061  28.643 -0.169 1.199  -0.589 "H5'2" RP5 22 
RP5 "HO'"  "HO'"  H 0 1 N N N 50.552 -0.627 29.220 0.771  -0.330 -4.897 "HO'"  RP5 23 
RP5 HOA    HOA    H 0 1 N N N 48.427 -0.009 31.222 -1.691 -1.030 -3.308 HOA    RP5 24 
RP5 H1     H1     H 0 1 N N N 49.311 4.938  26.002 3.040  -0.275 2.909  H1     RP5 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 
RP5 "C1'" "O1'"  SING N N 1  
RP5 "C1'" "C2'"  SING N N 2  
RP5 "C1'" O1     SING N N 3  
RP5 "C1'" "H1'"  SING N N 4  
RP5 "O1'" "C4'"  SING N N 5  
RP5 "C2'" "O2'"  SING N N 6  
RP5 "C2'" "C3'"  SING N N 7  
RP5 "C2'" "H2'"  SING N N 8  
RP5 "O2'" HA     SING N N 9  
RP5 "C3'" "O3'"  SING N N 10 
RP5 "C3'" "C4'"  SING N N 11 
RP5 "C3'" "H3'"  SING N N 12 
RP5 "O3'" HB     SING N N 13 
RP5 "C4'" "C5'"  SING N N 14 
RP5 "C4'" "H4'"  SING N N 15 
RP5 "C5'" "O5'"  SING N N 16 
RP5 "C5'" "H5'1" SING N N 17 
RP5 "C5'" "H5'2" SING N N 18 
RP5 "O5'" "P'"   SING N N 19 
RP5 "P'"  O1X    DOUB N N 20 
RP5 "P'"  O2X    SING N N 21 
RP5 "P'"  O3X    SING N N 22 
RP5 O2X   "HO'"  SING N N 23 
RP5 O3X   HOA    SING N N 24 
RP5 O1    H1     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 
RP5 SMILES           ACDLabs              10.04 O=P(O)(O)OCC1OC(O)C(O)C1O                                                                               
RP5 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 
RP5 InChIKey         InChI                1.02b KTVPXOYAKDPRHY-MGGMCEATDD                                                                               
RP5 SMILES_CANONICAL CACTVS               3.341 O[C@@H]1O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]1O                                                           
RP5 SMILES           CACTVS               3.341 O[CH]1O[CH](CO[P](O)(O)=O)[CH](O)[CH]1O                                                                 
RP5 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                                                         
RP5 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 
RP5 "SYSTEMATIC NAME" ACDLabs              10.04 5-O-phosphono-beta-D-ribofuranose                                        
RP5 "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 "[(2R,3S,4R,5R)-3,4,5-trihydroxyoxolan-2-yl]methyl dihydrogen phosphate" 
# 
