data_A1IZL
# 
_chem_comp.id                                    A1IZL 
_chem_comp.name                                  "(2~{S},3~{R},4~{R})-2-(hydroxymethyl)oxolane-2,3,4-triol" 
_chem_comp.type                                  saccharide 
_chem_comp.pdbx_type                             ATOMS 
_chem_comp.formula                               "C5 H10 O5" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2025-01-23 
_chem_comp.pdbx_modified_date                    2025-07-11 
_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                     A1IZL 
_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        9I1M 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  PDBE 
_chem_comp.pdbx_pcm                              ? 
# 
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.pdbx_n_terminal_atom_flag 
_chem_comp_atom.pdbx_backbone_atom_flag 
_chem_comp_atom.pdbx_c_terminal_atom_flag 
_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 
A1IZL C4  C1  C 0 1 N N R N N N 20.185 2.771 1.828  -1.569 -0.560 -0.562 C4  A1IZL 1  
A1IZL C5  C2  C 0 1 N N R N N N 20.436 4.043 2.574  -0.593 0.641  -0.591 C5  A1IZL 2  
A1IZL C1  C3  C 0 1 N N N N N N 21.141 6.323 1.646  1.866  0.223  -0.905 C1  A1IZL 3  
A1IZL O1  O1  O 0 1 N N N N N N 21.675 6.934 0.490  3.050  -0.287 -0.289 O1  A1IZL 4  
A1IZL C2  C4  C 0 1 N N S N N N 21.302 4.826 1.624  0.691  0.100  0.068  C2  A1IZL 5  
A1IZL O2  O2  O 0 1 N N N N N N 22.647 4.498 1.827  0.971  0.832  1.263  O2  A1IZL 6  
A1IZL C3  C5  C 0 1 N N N N N N 20.156 3.242 0.396  -0.964 -1.444 0.559  C3  A1IZL 7  
A1IZL O3  O3  O 0 1 N N N N N N 20.893 4.429 0.307  0.460  -1.284 0.381  O3  A1IZL 8  
A1IZL O4  O4  O 0 1 N N N N N N 21.240 1.825 2.027  -2.890 -0.135 -0.218 O4  A1IZL 9  
A1IZL O5  O5  O 0 1 N N N N N N 20.981 3.942 3.855  -1.120 1.733  0.165  O5  A1IZL 10 
A1IZL H7  H1  H 0 1 N N N N N N 19.209 2.348 2.109  -1.568 -1.086 -1.516 H7  A1IZL 11 
A1IZL H9  H2  H 0 1 N N N N N N 19.475 4.573 2.646  -0.397 0.949  -1.618 H9  A1IZL 12 
A1IZL H2  H3  H 0 1 N N N N N N 21.660 6.722 2.530  2.015  1.272  -1.164 H2  A1IZL 13 
A1IZL H3  H4  H 0 1 N N N N N N 20.069 6.563 1.711  1.652  -0.347 -1.808 H3  A1IZL 14 
A1IZL H1  H5  H 0 1 N N N N N N 21.553 7.875 0.544  3.837  -0.240 -0.849 H1  A1IZL 15 
A1IZL H4  H6  H 0 1 N N N N N N 22.910 4.764 2.700  1.765  0.537  1.728  H4  A1IZL 16 
A1IZL H5  H7  H 0 1 N N N N N N 19.117 3.426 0.086  -1.271 -1.083 1.540  H5  A1IZL 17 
A1IZL H6  H8  H 0 1 N N N N N N 20.603 2.477 -0.256 -1.255 -2.485 0.425  H6  A1IZL 18 
A1IZL H8  H9  H 0 1 N N N N N N 21.243 1.540 2.933  -3.538 -0.852 -0.187 H8  A1IZL 19 
A1IZL H10 H10 H 0 1 N N N N N N 20.396 3.440 4.410  -1.959 2.075  -0.171 H10 A1IZL 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 
A1IZL O3 C3  SING N N 1  
A1IZL O3 C2  SING N N 2  
A1IZL C3 C4  SING N N 3  
A1IZL O1 C1  SING N N 4  
A1IZL C2 C1  SING N N 5  
A1IZL C2 O2  SING N N 6  
A1IZL C2 C5  SING N N 7  
A1IZL C4 O4  SING N N 8  
A1IZL C4 C5  SING N N 9  
A1IZL C5 O5  SING N N 10 
A1IZL C4 H7  SING N N 11 
A1IZL C5 H9  SING N N 12 
A1IZL C1 H2  SING N N 13 
A1IZL C1 H3  SING N N 14 
A1IZL O1 H1  SING N N 15 
A1IZL O2 H4  SING N N 16 
A1IZL C3 H5  SING N N 17 
A1IZL C3 H6  SING N N 18 
A1IZL O4 H8  SING N N 19 
A1IZL O5 H10 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 
A1IZL InChI            InChI                1.06  "InChI=1S/C5H10O5/c6-2-5(9)4(8)3(7)1-10-5/h3-4,6-9H,1-2H2/t3-,4-,5+/m1/s1" 
A1IZL InChIKey         InChI                1.06  LQXVFWRQNMEDEE-WDCZJNDASA-N                                                
A1IZL SMILES_CANONICAL CACTVS               3.385 "OC[C@]1(O)OC[C@@H](O)[C@H]1O"                                             
A1IZL SMILES           CACTVS               3.385 "OC[C]1(O)OC[CH](O)[CH]1O"                                                 
A1IZL SMILES_CANONICAL "OpenEye OEToolkits" 2.0.7 "C1[C@H]([C@H]([C@@](O1)(CO)O)O)O"                                         
A1IZL SMILES           "OpenEye OEToolkits" 2.0.7 "C1C(C(C(O1)(CO)O)O)O"                                                     
# 
_pdbx_chem_comp_identifier.comp_id           A1IZL 
_pdbx_chem_comp_identifier.type              "SYSTEMATIC NAME" 
_pdbx_chem_comp_identifier.program           "OpenEye OEToolkits" 
_pdbx_chem_comp_identifier.program_version   2.0.7 
_pdbx_chem_comp_identifier.identifier        "(2~{S},3~{R},4~{R})-2-(hydroxymethyl)oxolane-2,3,4-triol" 
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
A1IZL "Create component" 2025-01-23 PDBE 
A1IZL "Initial release"  2025-07-16 RCSB 
# 
