data_RAA
# 
_chem_comp.id                                    RAA 
_chem_comp.name                                  ALPHA-RHAMNOSE 
_chem_comp.type                                  SACCHARIDE 
_chem_comp.pdbx_type                             ATOMS 
_chem_comp.formula                               "C6 H12 O5" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2002-12-11 
_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                        164.156 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     RAA 
_chem_comp.pdbx_model_coordinates_details        ? 
_chem_comp.pdbx_model_coordinates_missing_flag   Y 
_chem_comp.pdbx_ideal_coordinates_details        ? 
_chem_comp.pdbx_ideal_coordinates_missing_flag   N 
_chem_comp.pdbx_model_coordinates_db_code        1M7D 
_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 
RAA C1   C1   C 0 1 N N R -9.923  24.793 33.539 1.576  -1.679 2.462  C1   RAA 1  
RAA C2   C2   C 0 1 N N R -10.821 25.940 33.046 0.156  -1.133 2.603  C2   RAA 2  
RAA O2   O2   O 0 1 N N N -11.954 26.101 33.890 -0.705 -1.949 1.807  O2   RAA 3  
RAA C3   C3   C 0 1 N N R -11.265 25.657 31.606 0.080  0.320  2.132  C3   RAA 4  
RAA O3   O3   O 0 1 N N N -12.146 26.679 31.177 -1.278 0.756  2.121  O3   RAA 5  
RAA C4   C4   C 0 1 N N R -11.958 24.291 31.512 0.669  0.473  0.730  C4   RAA 6  
RAA O4   O4   O 0 1 N N N -12.300 24.005 30.162 0.732  1.863  0.424  O4   RAA 7  
RAA C5   C5   C 0 1 N N S -11.037 23.197 32.061 2.073  -0.147 0.678  C5   RAA 8  
RAA O5   O5   O 0 1 N N N -10.627 23.528 33.410 2.051  -1.507 1.123  O5   RAA 9  
RAA C6   C6   C 0 1 N N N -11.762 21.853 32.048 2.644  -0.150 -0.738 C6   RAA 10 
RAA O1   O1   O 0 1 N Y N ?       ?      ?      2.425  -1.062 3.424  O1   RAA 11 
RAA HC1  HC1  H 0 1 N N N -9.345  25.277 34.360 1.583  -2.756 2.659  HC1  RAA 12 
RAA HC2  HC2  H 0 1 N N N -10.237 26.889 33.075 -0.196 -1.204 3.638  HC2  RAA 13 
RAA HO2  HO2  H 0 1 N N N -12.508 26.809 33.585 -0.199 -2.188 1.015  HO2  RAA 14 
RAA HC3  HC3  H 0 1 N N N -10.365 25.638 30.946 0.614  0.973  2.833  HC3  RAA 15 
RAA HO3  HO3  H 0 1 N N N -12.421 26.503 30.284 -1.442 1.124  1.239  HO3  RAA 16 
RAA HC4  HC4  H 0 1 N N N -12.891 24.320 32.121 0.008  0.003  -0.008 HC4  RAA 17 
RAA HO4  HO4  H 0 1 N N N -12.729 23.159 30.103 1.237  1.942  -0.400 HO4  RAA 18 
RAA HC5  HC5  H 0 1 N N N -10.130 23.125 31.415 2.767  0.427  1.303  HC5  RAA 19 
RAA HC61 1HC6 H 0 0 N N N -11.091 21.056 32.447 1.916  -0.559 -1.445 HC61 RAA 20 
RAA HC62 2HC6 H 0 0 N N N -12.733 21.895 32.594 2.897  0.866  -1.052 HC62 RAA 21 
RAA HC63 3HC6 H 0 0 N N N -12.156 21.599 31.036 3.551  -0.761 -0.785 HC63 RAA 22 
RAA HO1  HO1  H 0 1 N N N 0.554   -0.708 0.304  3.097  -0.570 2.926  HO1  RAA 23 
# 
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 
RAA C1 C2   SING N N 1  
RAA C1 O5   SING N N 2  
RAA C1 O1   SING N N 3  
RAA C1 HC1  SING N N 4  
RAA C2 O2   SING N N 5  
RAA C2 C3   SING N N 6  
RAA C2 HC2  SING N N 7  
RAA O2 HO2  SING N N 8  
RAA C3 O3   SING N N 9  
RAA C3 C4   SING N N 10 
RAA C3 HC3  SING N N 11 
RAA O3 HO3  SING N N 12 
RAA C4 O4   SING N N 13 
RAA C4 C5   SING N N 14 
RAA C4 HC4  SING N N 15 
RAA O4 HO4  SING N N 16 
RAA C5 O5   SING N N 17 
RAA C5 C6   SING N N 18 
RAA C5 HC5  SING N N 19 
RAA C6 HC61 SING N N 20 
RAA C6 HC62 SING N N 21 
RAA C6 HC63 SING N N 22 
RAA O1 HO1  SING N N 23 
# 
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 
RAA SMILES           ACDLabs              10.04 OC1C(O)C(OC(O)C1O)C                                                         
RAA InChI            InChI                1.02b InChI=1/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3-,4+,5+,6?/m0/s1 
RAA InChIKey         InChI                1.02b SHZGCJCMOBCMKK-JFNONXLTBD                                                   
RAA SMILES_CANONICAL CACTVS               3.341 C[C@@H]1O[C@@H](O)[C@H](O)[C@H](O)[C@H]1O                                   
RAA SMILES           CACTVS               3.341 C[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O                                          
RAA SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O)O)O)O                                 
RAA SMILES           "OpenEye OEToolkits" 1.5.0 CC1C(C(C(C(O1)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 
RAA "SYSTEMATIC NAME" ACDLabs              10.04 6-deoxy-alpha-L-mannopyranose                 
RAA "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 (2R,3R,4R,5R,6S)-6-methyloxane-2,3,4,5-tetrol 
# 
