data_AAB
# 
_chem_comp.id                                    AAB 
_chem_comp.name                                  "2-DEOXY-5-PHOSPHORIBOSE GROUP" 
_chem_comp.type                                  SACCHARIDE 
_chem_comp.pdbx_type                             ATOMS 
_chem_comp.formula                               "C5 H11 O7 P" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     1999-07-08 
_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                        214.110 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     AAB 
_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        1A9G 
_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 
AAB P      P      P 0 1 N N N -1.018 7.466 16.210 0.150  0.053  -2.617 P      AAB 1  
AAB O1P    O1P    O 0 1 N N N -1.723 8.628 15.802 1.009  -0.767 -3.703 O1P    AAB 2  
AAB O2P    O2P    O 0 1 N N N -0.196 7.486 17.348 0.624  1.455  -2.570 O2P    AAB 3  
AAB O3P    O3P    O 0 1 N N N -0.148 6.973 15.034 -1.404 0.026  -3.031 O3P    AAB 4  
AAB "O5'"  "O5'"  O 0 1 N N N -2.051 6.345 16.404 0.332  -0.622 -1.167 "O5'"  AAB 5  
AAB "C5'"  "C5'"  C 0 1 N N N -3.305 6.220 15.780 -0.449 0.147  -0.252 "C5'"  AAB 6  
AAB "C4'"  "C4'"  C 0 1 N N R -4.195 5.219 16.498 -0.320 -0.445 1.152  "C4'"  AAB 7  
AAB "O4'"  "O4'"  O 0 1 N N N -3.641 3.924 16.490 1.032  -0.310 1.643  "O4'"  AAB 8  
AAB "C1'"  "C1'"  C 0 1 N N R -3.551 3.477 17.821 0.967  -0.400 3.076  "C1'"  AAB 9  
AAB "O1'"  "O1'"  O 0 1 N Y N -2.465 2.620 17.965 1.957  0.447  3.662  "O1'"  AAB 10 
AAB "C2'"  "C2'"  C 0 1 N N N -3.253 4.790 18.483 -0.438 0.064  3.504  "C2'"  AAB 11 
AAB "C3'"  "C3'"  C 0 1 N N S -4.382 5.631 17.931 -1.159 0.369  2.168  "C3'"  AAB 12 
AAB "O3'"  "O3'"  O 0 1 N N N -5.661 5.208 18.420 -2.511 -0.092 2.201  "O3'"  AAB 13 
AAB H1P    H1P    H 0 1 N N N -2.279 8.614 15.032 0.873  -0.330 -4.555 H1P    AAB 14 
AAB H3P    H3P    H 0 1 N N N 0.324  6.195 15.307 -1.672 -0.902 -3.049 H3P    AAB 15 
AAB "H5'1" "1H5'" H 0 0 N N N -3.807 7.209 15.677 -1.494 0.126  -0.560 "H5'1" AAB 16 
AAB "H5'2" "2H5'" H 0 0 N N N -3.197 5.965 14.699 -0.092 1.176  -0.245 "H5'2" AAB 17 
AAB "H4'"  "H4'"  H 0 1 N N N -5.169 5.203 15.955 -0.624 -1.492 1.155  "H4'"  AAB 18 
AAB "H1'"  "H1'"  H 0 1 N N N -4.435 2.919 18.208 1.128  -1.431 3.391  "H1'"  AAB 19 
AAB "HO1'" "'HO1" H 0 0 N N N -2.404 2.318 18.863 2.817  0.121  3.362  "HO1'" AAB 20 
AAB "H2'1" "1H2'" H 0 0 N N N -3.166 4.763 19.594 -0.954 -0.729 4.043  "H2'1" AAB 21 
AAB "H2'2" "2H2'" H 0 0 N N N -2.225 5.192 18.321 -0.373 0.963  4.117  "H2'2" AAB 22 
AAB "H3'"  "H3'"  H 0 1 N N N -4.361 6.719 18.170 -1.119 1.434  1.940  "H3'"  AAB 23 
AAB "HO3'" "'HO3" H 0 0 N N N -5.779 5.468 19.325 -2.953 0.389  2.914  "HO3'" AAB 24 
# 
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 
AAB P     O1P    SING N N 1  
AAB P     O2P    DOUB N N 2  
AAB P     O3P    SING N N 3  
AAB P     "O5'"  SING N N 4  
AAB O1P   H1P    SING N N 5  
AAB O3P   H3P    SING N N 6  
AAB "O5'" "C5'"  SING N N 7  
AAB "C5'" "C4'"  SING N N 8  
AAB "C5'" "H5'1" SING N N 9  
AAB "C5'" "H5'2" SING N N 10 
AAB "C4'" "O4'"  SING N N 11 
AAB "C4'" "C3'"  SING N N 12 
AAB "C4'" "H4'"  SING N N 13 
AAB "O4'" "C1'"  SING N N 14 
AAB "C1'" "O1'"  SING N N 15 
AAB "C1'" "C2'"  SING N N 16 
AAB "C1'" "H1'"  SING N N 17 
AAB "O1'" "HO1'" SING N N 18 
AAB "C2'" "C3'"  SING N N 19 
AAB "C2'" "H2'1" SING N N 20 
AAB "C2'" "H2'2" SING N N 21 
AAB "C3'" "O3'"  SING N N 22 
AAB "C3'" "H3'"  SING N N 23 
AAB "O3'" "HO3'" SING N N 24 
# 
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 
AAB SMILES           ACDLabs              10.04 O=P(OCC1OC(O)CC1O)(O)O                                                                            
AAB InChI            InChI                1.02b InChI=1/C5H11O7P/c6-3-1-5(7)12-4(3)2-11-13(8,9)10/h3-7H,1-2H2,(H2,8,9,10)/t3-,4+,5+/m0/s1/f/h8-9H 
AAB InChIKey         InChI                1.02b KKZFLSZAWCYPOC-JGQNVVOSDV                                                                         
AAB SMILES_CANONICAL CACTVS               3.341 O[C@H]1C[C@H](O)[C@@H](CO[P](O)(O)=O)O1                                                           
AAB SMILES           CACTVS               3.341 O[CH]1C[CH](O)[CH](CO[P](O)(O)=O)O1                                                               
AAB SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 C1[C@@H]([C@H](O[C@H]1O)COP(=O)(O)O)O                                                             
AAB SMILES           "OpenEye OEToolkits" 1.5.0 C1C(C(OC1O)COP(=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 
AAB "SYSTEMATIC NAME" ACDLabs              10.04 2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranose                 
AAB "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 "[(2R,3S,5R)-3,5-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate" 
# 
