data_XXR
#

_chem_comp.id                                   XXR
_chem_comp.name                                 alpha-D-rhamnopyranose
_chem_comp.type                                 "D-saccharide, alpha linking"
_chem_comp.pdbx_type                            ATOMS
_chem_comp.formula                              "C6 H12 O5"
_chem_comp.mon_nstd_parent_comp_id              ?
_chem_comp.pdbx_synonyms                        "alpha-D-rhamnose; 6-deoxy-alpha-D-mannopyranose; D-rhamnose; rhamnose"
_chem_comp.pdbx_formal_charge                   0
_chem_comp.pdbx_initial_date                    2013-07-18
_chem_comp.pdbx_modified_date                   2020-07-17
_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                       164.156
_chem_comp.one_letter_code                      ?
_chem_comp.three_letter_code                    XXR
_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       4LED
_chem_comp.pdbx_subcomponent_list               ?
_chem_comp.pdbx_processing_site                 RCSB
#   #
loop_
_pdbx_chem_comp_synonyms.ordinal
_pdbx_chem_comp_synonyms.comp_id
_pdbx_chem_comp_synonyms.name
_pdbx_chem_comp_synonyms.provenance
_pdbx_chem_comp_synonyms.type
1  XXR  alpha-D-rhamnose               PDB  ?  
2  XXR  6-deoxy-alpha-D-mannopyranose  PDB  ?  
3  XXR  D-rhamnose                     PDB  ?  
4  XXR  rhamnose                       PDB  ?  
#   #
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
XXR  O4   O4   O  0  1  N  N  N  13.742  40.147  -1.248   1.670   1.773  -0.506  O4   XXR   1  
XXR  C4   C4   C  0  1  N  N  S  12.641  39.258  -1.155   0.781   0.849   0.126  C4   XXR   2  
XXR  C5   C5   C  0  1  N  N  R  12.694  38.317  -2.360   1.311  -0.576  -0.056  C5   XXR   3  
XXR  C6   C6   C  0  1  N  N  N  13.889  37.373  -2.285   2.671  -0.706   0.631  C6   XXR   4  
XXR  C3   C3   C  0  1  N  N  S  11.332  40.030  -1.117  -0.607   0.955  -0.513  C3   XXR   5  
XXR  O3   O3   O  0  1  N  N  N  11.287  41.030  -0.067  -1.140   2.261  -0.284  O3   XXR   6  
XXR  C2   C2   C  0  1  N  N  S  10.198  38.998  -1.052  -1.529  -0.092   0.118  C2   XXR   7  
XXR  O2   O2   O  0  1  N  N  N  10.192  38.218   0.150  -1.681   0.184   1.512  O2   XXR   8  
XXR  C1   C1   C  0  1  N  N  S  10.324  38.078  -2.279  -0.910  -1.481  -0.063  C1   XXR   9  
XXR  O5   O5   O  0  1  N  N  N  11.587  37.455  -2.398   0.391  -1.502   0.526  O5   XXR  10  
XXR  O1   O1   O  0  1  N  Y  N  10.279  38.810  -3.497  -0.807  -1.778  -1.457  O1   XXR  11  
XXR  HO4  H1   H  0  1  N  Y  N  13.731  40.743  -0.509   2.569   1.760  -0.151  HO4  XXR  12  
XXR  H4   H2   H  0  1  N  N  N  12.720  38.656  -0.238   0.712   1.080   1.189  H4   XXR  13  
XXR  H5   H3   H  0  1  N  N  N  12.760  38.914  -3.282   1.419  -0.790  -1.120  H5   XXR  14  
XXR  H61  H4   H  0  1  N  N  N  14.819  37.960  -2.251   2.563  -0.492   1.695  H61  XXR  15  
XXR  H62  H5   H  0  1  N  N  N  13.812  36.755  -1.378   3.048  -1.721   0.502  H62  XXR  16  
XXR  H63  H6   H  0  1  N  N  N  13.899  36.723  -3.172   3.372   0.001   0.188  H63  XXR  17  
XXR  H3   H7   H  0  1  N  N  N  11.236  40.549  -2.082  -0.530   0.774  -1.585  H3   XXR  18  
XXR  HO3  H8   H  0  1  N  Y  N  10.450  41.478  -0.092  -2.019   2.399  -0.662  HO3  XXR  19  
XXR  H2   H9   H  0  1  N  N  N   9.244  39.540  -1.135  -2.504  -0.060  -0.368  H2   XXR  20  
XXR  HO2  H10  H  0  1  N  Y  N  10.114  38.794   0.901  -2.254  -0.442   1.977  HO2  XXR  21  
XXR  H1   H11  H  0  1  N  N  N   9.520  37.327  -2.248  -1.541  -2.226   0.421  H1   XXR  22  
XXR  HO1  H12  H  0  1  N  Y  N   9.460  39.289  -3.549  -0.423  -2.645  -1.647  HO1  XXR  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
XXR  O1  C1   SING  N  N   1  
XXR  O5  C5   SING  N  N   2  
XXR  O5  C1   SING  N  N   3  
XXR  C5  C6   SING  N  N   4  
XXR  C5  C4   SING  N  N   5  
XXR  C1  C2   SING  N  N   6  
XXR  O4  C4   SING  N  N   7  
XXR  C4  C3   SING  N  N   8  
XXR  C3  C2   SING  N  N   9  
XXR  C3  O3   SING  N  N  10  
XXR  C2  O2   SING  N  N  11  
XXR  O4  HO4  SING  N  N  12  
XXR  C4  H4   SING  N  N  13  
XXR  C5  H5   SING  N  N  14  
XXR  C6  H61  SING  N  N  15  
XXR  C6  H62  SING  N  N  16  
XXR  C6  H63  SING  N  N  17  
XXR  C3  H3   SING  N  N  18  
XXR  O3  HO3  SING  N  N  19  
XXR  C2  H2   SING  N  N  20  
XXR  O2  HO2  SING  N  N  21  
XXR  C1  H1   SING  N  N  22  
XXR  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
XXR  SMILES            ACDLabs               12.01  "OC1C(O)C(OC(O)C1O)C"  
XXR  InChI             InChI                 1.03   "InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3-,4+,5+,6+/m1/s1"  
XXR  InChIKey          InChI                 1.03   SHZGCJCMOBCMKK-PQMKYFCFSA-N  
XXR  SMILES_CANONICAL  CACTVS                3.385  "C[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O"  
XXR  SMILES            CACTVS                3.385  "C[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O"  
XXR  SMILES_CANONICAL  "OpenEye OEToolkits"  1.7.6  "C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O"  
XXR  SMILES            "OpenEye OEToolkits"  1.7.6  "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
XXR  "SYSTEMATIC NAME"                      ACDLabs               12.01  6-deoxy-alpha-D-mannopyranose  
XXR  "SYSTEMATIC NAME"                      "OpenEye OEToolkits"  1.7.6  "(2S,3S,4S,5S,6R)-6-methyloxane-2,3,4,5-tetrol"  
XXR  "CONDENSED IUPAC CARBOHYDRATE SYMBOL"  GMML                  1.0    DRhapa  
XXR  "COMMON NAME"                          GMML                  1.0    a-D-rhamnopyranose  
XXR  "IUPAC CARBOHYDRATE SYMBOL"            PDB-CARE              1.0    a-D-Rhap  
XXR  "SNFG CARBOHYDRATE SYMBOL"             GMML                  1.0    Rha  
#   #
loop_
_pdbx_chem_comp_feature.comp_id
_pdbx_chem_comp_feature.type
_pdbx_chem_comp_feature.value
_pdbx_chem_comp_feature.source
_pdbx_chem_comp_feature.support
XXR  "CARBOHYDRATE ISOMER"                  D         PDB  ?  
XXR  "CARBOHYDRATE RING"                    pyranose  PDB  ?  
XXR  "CARBOHYDRATE ANOMER"                  alpha     PDB  ?  
XXR  "CARBOHYDRATE PRIMARY CARBONYL GROUP"  aldose    PDB  ?  
#   #
loop_
_pdbx_chem_comp_audit.comp_id
_pdbx_chem_comp_audit.action_type
_pdbx_chem_comp_audit.date
_pdbx_chem_comp_audit.processing_site
XXR  "Create component"          2013-07-18  RCSB  
XXR  "Initial release"           2014-02-19  RCSB  
XXR  "Other modification"        2019-08-12  RCSB  
XXR  "Other modification"        2019-12-19  RCSB  
XXR  "Other modification"        2020-07-03  RCSB  
XXR  "Modify name"               2020-07-17  RCSB  
XXR  "Modify synonyms"           2020-07-17  RCSB  
XXR  "Modify atom id"            2020-07-17  RCSB  
XXR  "Modify component atom id"  2020-07-17  RCSB  
##
