data_UZJ
#

_chem_comp.id                                   UZJ
_chem_comp.name                                 2-deoxy-beta-D-ribopyranose
_chem_comp.type                                 non-polymer
_chem_comp.pdbx_type                            HETAIN
_chem_comp.formula                              "C5 H10 O4"
_chem_comp.mon_nstd_parent_comp_id              ?
_chem_comp.pdbx_synonyms                        2-deoxy-beta-D-erythro-pentopyranose
_chem_comp.pdbx_formal_charge                   0
_chem_comp.pdbx_initial_date                    2020-06-09
_chem_comp.pdbx_modified_date                   2021-05-28
_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                       134.130
_chem_comp.one_letter_code                      ?
_chem_comp.three_letter_code                    UZJ
_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       6X9P
_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
UZJ  C4   C1   C  0  1  N  N  R  22.972   0.280  69.618  -1.261  -0.448  -0.514  C4   UZJ   1  
UZJ  C5   C2   C  0  1  N  N  N  21.642  -0.313  69.215  -0.465  -1.338   0.444  C5   UZJ   2  
UZJ  C1   C3   C  0  1  N  N  R  21.351  -0.777  71.639   1.482   0.048   0.235  C1   UZJ   3  
UZJ  C2   C4   C  0  1  N  N  N  22.842  -0.695  71.860   0.764   0.994  -0.731  C2   UZJ   4  
UZJ  C3   C5   C  0  1  N  N  S  23.641  -0.493  70.658  -0.736   0.988  -0.419  C3   UZJ   5  
UZJ  O1   O1   O  0  1  N  N  N  20.634  -1.687  72.324   2.874   0.004  -0.086  O1   UZJ   6  
UZJ  O3   O2   O  0  1  N  N  N  24.932   0.090  70.987  -0.951   1.490   0.901  O3   UZJ   7  
UZJ  O4   O3   O  0  1  N  N  N  22.837   1.630  70.012  -2.643  -0.475  -0.154  O4   UZJ   8  
UZJ  O5   O4   O  0  1  N  N  N  20.781  -0.348  70.401   0.925  -1.263   0.118  O5   UZJ   9  
UZJ  H41  H1   H  0  1  N  N  N  23.614   0.251  68.725  -1.143  -0.812  -1.534  H41  UZJ  10  
UZJ  H51  H3   H  0  1  N  N  N  21.790  -1.333  68.831  -0.617  -0.997   1.468  H51  UZJ  11  
UZJ  H52  H4   H  0  1  N  N  N  21.178   0.309  68.435  -0.805  -2.369   0.350  H52  UZJ  12  
UZJ  H11  H6   H  0  1  N  N  N  21.079   0.107  72.234   1.355   0.407   1.256  H11  UZJ  13  
UZJ  H22  H7   H  0  1  N  N  N  23.168  -1.635  72.330   1.157   2.003  -0.612  H22  UZJ  14  
UZJ  H23  H8   H  0  1  N  N  N  23.038   0.144  72.543   0.925   0.659  -1.756  H23  UZJ  15  
UZJ  H31  H9   H  0  1  N  N  N  23.839  -1.489  70.236  -1.261   1.617  -1.138  H31  UZJ  16  
UZJ  H12  H10  H  0  1  N  N  N  21.089  -1.910  73.127   3.392  -0.577   0.487  H12  UZJ  17  
UZJ  H32  H11  H  0  1  N  N  N  25.350  -0.428  71.665  -0.642   2.397   1.033  H32  UZJ  18  
UZJ  H42  H12  H  0  1  N  N  N  22.400   2.119  69.325  -3.042  -1.356  -0.191  H42  UZJ  19  
#   #
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
UZJ  C5  O5   SING  N  N   1  
UZJ  C4  O4   SING  N  N   2  
UZJ  C4  C3   SING  N  N   3  
UZJ  O5  C1   SING  N  N   4  
UZJ  C3  O3   SING  N  N   5  
UZJ  C3  C2   SING  N  N   6  
UZJ  C1  C2   SING  N  N   7  
UZJ  C1  O1   SING  N  N   8  
UZJ  C4  H41  SING  N  N   9  
UZJ  C5  H51  SING  N  N  10  
UZJ  C5  H52  SING  N  N  11  
UZJ  C1  H11  SING  N  N  12  
UZJ  C2  H22  SING  N  N  13  
UZJ  C2  H23  SING  N  N  14  
UZJ  C3  H31  SING  N  N  15  
UZJ  O1  H12  SING  N  N  16  
UZJ  O3  H32  SING  N  N  17  
UZJ  O4  H42  SING  N  N  18  
UZJ  C4  C5   SING  N  N  19  
#   #
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
UZJ  SMILES            ACDLabs               12.01  "C1(O)C(CC(O)OC1)O"  
UZJ  InChI             InChI                 1.03   "InChI=1S/C5H10O4/c6-3-1-5(8)9-2-4(3)7/h3-8H,1-2H2/t3-,4+,5+/m0/s1"  
UZJ  InChIKey          InChI                 1.03   ZVQAVWAHRUNNPG-VPENINKCSA-N  
UZJ  SMILES_CANONICAL  CACTVS                3.385  "O[C@H]1C[C@H](O)[C@H](O)CO1"  
UZJ  SMILES            CACTVS                3.385  "O[CH]1C[CH](O)[CH](O)CO1"  
UZJ  SMILES_CANONICAL  "OpenEye OEToolkits"  2.0.7  "C1[C@@H]([C@@H](CO[C@H]1O)O)O"  
UZJ  SMILES            "OpenEye OEToolkits"  2.0.7  "C1C(C(COC1O)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
UZJ  "SYSTEMATIC NAME"  ACDLabs               12.01  2-deoxy-beta-D-erythro-pentopyranose  
UZJ  "SYSTEMATIC NAME"  "OpenEye OEToolkits"  2.0.7  "(2~{R},4~{S},5~{R})-oxane-2,4,5-triol"  
#
_pdbx_chem_comp_synonyms.ordinal     1
_pdbx_chem_comp_synonyms.comp_id     UZJ
_pdbx_chem_comp_synonyms.name        2-deoxy-beta-D-erythro-pentopyranose
_pdbx_chem_comp_synonyms.provenance  ?
_pdbx_chem_comp_synonyms.type        ?
#   #
loop_
_pdbx_chem_comp_audit.comp_id
_pdbx_chem_comp_audit.action_type
_pdbx_chem_comp_audit.date
_pdbx_chem_comp_audit.processing_site
UZJ  "Create component"  2020-06-09  RCSB  
UZJ  "Modify synonyms"   2021-03-01  PDBE  
UZJ  "Initial release"   2021-06-02  RCSB  
##
