data_34V
#

_chem_comp.id                                   34V
_chem_comp.name                                 beta-L-ribulofuranose
_chem_comp.type                                 "L-saccharide, beta linking"
_chem_comp.pdbx_type                            ATOMS
_chem_comp.formula                              "C5 H10 O5"
_chem_comp.mon_nstd_parent_comp_id              ?
_chem_comp.pdbx_synonyms                        "beta-L-ribulose; L-ribulose; ribulose"
_chem_comp.pdbx_formal_charge                   0
_chem_comp.pdbx_initial_date                    2014-06-17
_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                       150.130
_chem_comp.one_letter_code                      ?
_chem_comp.three_letter_code                    34V
_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       4QE4
_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  34V  beta-L-ribulose  PDB  ?  
2  34V  L-ribulose       PDB  ?  
3  34V  ribulose         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
34V  C1   C1   C  0  1  N  N  N  -11.614  -16.285  -45.883  -1.478  -0.842  -0.464  C1   34V   1  
34V  O1   O1   O  0  1  N  N  N  -11.309  -15.136  -45.091  -2.652  -0.194  -0.957  O1   34V   2  
34V  C2   C2   C  0  1  N  N  S  -11.897  -17.533  -45.053  -0.628   0.165   0.314  C2   34V   3  
34V  O2   O2   O  0  1  N  Y  N  -10.786  -17.849  -44.195  -1.385   0.703   1.400  O2   34V   4  
34V  C3   C3   C  0  1  N  N  S  -13.179  -17.362  -44.250   0.641  -0.525   0.850  C3   34V   5  
34V  O3   O3   O  0  1  N  N  N  -13.507  -16.037  -43.832   0.693  -1.885   0.416  O3   34V   6  
34V  C4   C4   C  0  1  N  N  S  -14.286  -18.064  -45.004   1.805   0.287   0.230  C4   34V   7  
34V  O4   O4   O  0  1  N  N  N  -15.361  -17.135  -45.272   2.305  -0.355  -0.944  O4   34V   8  
34V  C5   C5   C  0  1  N  N  N  -13.575  -18.484  -46.266   1.113   1.628  -0.124  C5   34V   9  
34V  O5   O5   O  0  1  N  N  N  -12.196  -18.707  -45.882  -0.202   1.223  -0.561  O5   34V  10  
34V  H11  H1   H  0  1  N  N  N  -12.502  -16.063  -46.493  -1.765  -1.661   0.196  H11  34V  11  
34V  H12  H2   H  0  1  N  N  N  -10.758  -16.491  -46.543  -0.901  -1.235  -1.301  H12  34V  12  
34V  HO1  H3   H  0  1  N  Y  N  -11.143  -14.394  -45.660  -3.239  -0.774  -1.461  HO1  34V  13  
34V  HO2  H4   H  0  1  N  Y  N  -10.987  -18.628  -43.690  -2.195   1.155   1.129  HO2  34V  14  
34V  H3   H5   H  0  1  N  N  N  -13.029  -17.950  -43.332   0.674  -0.472   1.938  H3   34V  15  
34V  HO3  H6   H  0  1  N  Y  N  -14.321  -16.051  -43.342   1.473  -2.367   0.725  HO3  34V  16  
34V  H4   H7   H  0  1  N  N  N  -14.639  -18.943  -44.445   2.602   0.440   0.957  H4   34V  17  
34V  HO4  H8   H  0  1  N  Y  N  -15.783  -16.895  -44.456   3.036   0.116  -1.369  HO4  34V  18  
34V  H51  H9   H  0  1  N  N  N  -13.638  -17.690  -47.025   1.045   2.268   0.756  H51  34V  19  
34V  H52  H10  H  0  1  N  N  N  -14.016  -19.409  -46.665   1.646   2.134  -0.928  H52  34V  20  
#   #
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
34V  C5  O5   SING  N  N   1  
34V  C5  C4   SING  N  N   2  
34V  C1  O1   SING  N  N   3  
34V  C1  C2   SING  N  N   4  
34V  O5  C2   SING  N  N   5  
34V  O4  C4   SING  N  N   6  
34V  C2  C3   SING  N  N   7  
34V  C2  O2   SING  N  N   8  
34V  C4  C3   SING  N  N   9  
34V  C3  O3   SING  N  N  10  
34V  C1  H11  SING  N  N  11  
34V  C1  H12  SING  N  N  12  
34V  O1  HO1  SING  N  N  13  
34V  O2  HO2  SING  N  N  14  
34V  C3  H3   SING  N  N  15  
34V  O3  HO3  SING  N  N  16  
34V  C4  H4   SING  N  N  17  
34V  O4  HO4  SING  N  N  18  
34V  C5  H51  SING  N  N  19  
34V  C5  H52  SING  N  N  20  
#   #
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
34V  SMILES            ACDLabs               12.01  "OCC1(O)OCC(O)C1O"  
34V  InChI             InChI                 1.03   "InChI=1S/C5H10O5/c6-2-5(9)4(8)3(7)1-10-5/h3-4,6-9H,1-2H2/t3-,4-,5-/m0/s1"  
34V  InChIKey          InChI                 1.03   LQXVFWRQNMEDEE-YUPRTTJUSA-N  
34V  SMILES_CANONICAL  CACTVS                3.385  "OC[C@]1(O)OC[C@H](O)[C@@H]1O"  
34V  SMILES            CACTVS                3.385  "OC[C]1(O)OC[CH](O)[CH]1O"  
34V  SMILES_CANONICAL  "OpenEye OEToolkits"  1.7.6  "C1[C@@H]([C@@H]([C@@](O1)(CO)O)O)O"  
34V  SMILES            "OpenEye OEToolkits"  1.7.6  "C1C(C(C(O1)(CO)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
34V  "SYSTEMATIC NAME"                      ACDLabs               12.01  beta-L-ribulofuranose  
34V  "SYSTEMATIC NAME"                      "OpenEye OEToolkits"  1.7.6  "(2S,3S,4S)-2-(hydroxymethyl)oxolane-2,3,4-triol"  
34V  "CONDENSED IUPAC CARBOHYDRATE SYMBOL"  GMML                  1.0    LRulfb  
34V  "COMMON NAME"                          GMML                  1.0    b-L-ribulofuranose  
34V  "IUPAC CARBOHYDRATE SYMBOL"            PDB-CARE              1.0    b-L-Rulf  
#   #
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
34V  "CARBOHYDRATE ISOMER"                  L         PDB  ?  
34V  "CARBOHYDRATE RING"                    furanose  PDB  ?  
34V  "CARBOHYDRATE ANOMER"                  beta      PDB  ?  
34V  "CARBOHYDRATE PRIMARY CARBONYL GROUP"  ketose    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
34V  "Create component"          2014-06-17  RCSB  
34V  "Initial release"           2014-09-03  RCSB  
34V  "Other modification"        2019-08-12  RCSB  
34V  "Other modification"        2019-12-19  RCSB  
34V  "Other modification"        2020-07-03  RCSB  
34V  "Modify synonyms"           2020-07-17  RCSB  
34V  "Modify atom id"            2020-07-17  RCSB  
34V  "Modify component atom id"  2020-07-17  RCSB  
##
