data_A1JAQ
# 
_chem_comp.id                                    A1JAQ 
_chem_comp.name                                  1-amino-1,6-dideoxy-beta-L-galacto-hexopyranose 
_chem_comp.type                                  "L-saccharide, beta linking" 
_chem_comp.pdbx_type                             ATOMS 
_chem_comp.formula                               "C6 H13 N O4" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         "1-amino-1-deoxy-b-L-fucopyranoside; beta-L-fucopyranosylamine" 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2025-04-09 
_chem_comp.pdbx_modified_date                    2025-04-11 
_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                        163.172 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     A1JAQ 
_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        9G3L 
_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 
A1JAQ N1  N1  N 0 1 N N N N N N 13.030 -2.282 -23.660 -1.507 2.297  0.480  N1  A1JAQ 1  
A1JAQ C1  C10 C 0 1 N N S N N N 12.379 -1.189 -23.057 -0.740 1.275  -0.245 C1  A1JAQ 2  
A1JAQ O5  O2  O 0 1 N N N N N N 11.726 -0.429 -24.075 0.649  1.419  0.056  O5  A1JAQ 3  
A1JAQ C5  C11 C 0 1 N N S N N N 11.209 0.822  -23.568 1.493  0.485  -0.621 C5  A1JAQ 4  
A1JAQ C6  C12 C 0 1 N N N N N N 10.687 1.535  -24.716 2.952  0.750  -0.246 C6  A1JAQ 5  
A1JAQ C4  C13 C 0 1 N N S N N N 10.171 0.482  -22.474 1.110  -0.939 -0.209 C4  A1JAQ 6  
A1JAQ O4  O3  O 0 1 N N N N N N 8.998  -0.102 -23.060 1.323  -1.103 1.195  O4  A1JAQ 7  
A1JAQ C3  C14 C 0 1 N N R N N N 10.746 -0.460 -21.453 -0.368 -1.176 -0.533 C3  A1JAQ 8  
A1JAQ O3  O4  O 0 1 N N N N N N 9.658  -0.822 -20.515 -0.753 -2.477 -0.084 O3  A1JAQ 9  
A1JAQ C2  C15 C 0 1 N N S N N N 11.312 -1.679 -22.076 -1.213 -0.117 0.182  C2  A1JAQ 10 
A1JAQ O2  O5  O 0 1 N N N N N N 11.826 -2.562 -21.072 -2.587 -0.284 -0.171 O2  A1JAQ 11 
A1JAQ HO1 H7  H 0 1 N N N N N N 13.492 -2.824 -22.958 -1.214 3.225  0.215  HO1 A1JAQ 12 
A1JAQ H1  H8  H 0 1 N N N N N N 13.100 -0.560 -22.514 -0.894 1.398  -1.317 H1  A1JAQ 13 
A1JAQ H5  H9  H 0 1 N N N N N N 12.022 1.402  -23.108 1.368  0.598  -1.698 H5  A1JAQ 14 
A1JAQ H61 H10 H 0 1 N N N N N N 10.276 2.503  -24.392 3.076  0.637  0.831  H61 A1JAQ 15 
A1JAQ H62 H11 H 0 1 N N N N N N 11.497 1.705  -25.441 3.595  0.038  -0.762 H62 A1JAQ 16 
A1JAQ H4  H13 H 0 1 N N N N N N 9.896  1.418  -21.967 1.722  -1.654 -0.757 H4  A1JAQ 17 
A1JAQ HO4 H14 H 0 1 N Y N N N N 8.370  -0.305 -22.377 2.239  -0.962 1.472  HO4 A1JAQ 18 
A1JAQ H3  H15 H 0 1 N N N N N N 11.540 0.061  -20.898 -0.522 -1.101 -1.609 H3  A1JAQ 19 
A1JAQ HO3 H16 H 0 1 N Y N N N N 9.993  -1.419 -19.856 -1.679 -2.695 -0.257 HO3 A1JAQ 20 
A1JAQ H2  H17 H 0 1 N N N N N N 10.523 -2.188 -22.648 -1.097 -0.226 1.261  H2  A1JAQ 21 
A1JAQ HO2 H18 H 0 1 N Y N N N N 11.121 -2.831 -20.495 -3.181 0.358  0.243  HO2 A1JAQ 22 
A1JAQ H6  H6  H 0 1 N N N N N N 12.357 -2.852 -24.132 -2.498 2.176  0.335  H6  A1JAQ 23 
A1JAQ H7  H13 H 0 1 N N N N N N 9.892  0.939  -25.187 3.224  1.764  -0.538 H7  A1JAQ 24 
# 
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 
A1JAQ C6 C5  SING N N 1  
A1JAQ O5 C5  SING N N 2  
A1JAQ O5 C1  SING N N 3  
A1JAQ N1 C1  SING N N 4  
A1JAQ C5 C4  SING N N 5  
A1JAQ O4 C4  SING N N 6  
A1JAQ C1 C2  SING N N 7  
A1JAQ C4 C3  SING N N 8  
A1JAQ C2 C3  SING N N 9  
A1JAQ C2 O2  SING N N 10 
A1JAQ C3 O3  SING N N 11 
A1JAQ N1 HO1 SING N N 12 
A1JAQ C1 H1  SING N N 13 
A1JAQ C5 H5  SING N N 14 
A1JAQ C6 H61 SING N N 15 
A1JAQ C6 H62 SING N N 16 
A1JAQ C4 H4  SING N N 17 
A1JAQ O4 HO4 SING N N 18 
A1JAQ C3 H3  SING N N 19 
A1JAQ O3 HO3 SING N N 20 
A1JAQ C2 H2  SING N N 21 
A1JAQ O2 HO2 SING N N 22 
A1JAQ N1 H6  SING N N 23 
A1JAQ C6 H7  SING N N 24 
# 
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 
A1JAQ InChI            InChI                1.06  "InChI=1S/C6H13NO4/c1-2-3(8)4(9)5(10)6(7)11-2/h2-6,8-10H,7H2,1H3/t2-,3+,4+,5-,6-/m0/s1" 
A1JAQ InChIKey         InChI                1.06  UTVXFQMLZSPQLB-KGJVWPDLSA-N                                                             
A1JAQ SMILES_CANONICAL CACTVS               3.385 "C[C@@H]1O[C@H](N)[C@@H](O)[C@H](O)[C@@H]1O"                                            
A1JAQ SMILES           CACTVS               3.385 "C[CH]1O[CH](N)[CH](O)[CH](O)[CH]1O"                                                    
A1JAQ SMILES_CANONICAL "OpenEye OEToolkits" 2.0.7 "C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)N)O)O)O"                                            
A1JAQ SMILES           "OpenEye OEToolkits" 2.0.7 "CC1C(C(C(C(O1)N)O)O)O"                                                                 
# 
_pdbx_chem_comp_identifier.comp_id           A1JAQ 
_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~{S},4~{R},5~{S},6~{S})-2-azanyl-6-methyl-oxane-3,4,5-triol" 
# 
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 A1JAQ 1-amino-1-deoxy-b-L-fucopyranoside PUBCHEM ? 
2 A1JAQ beta-L-fucopyranosylamine          PUBCHEM ? 
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
A1JAQ "Create component" 2025-04-09 PDBE 
A1JAQ "Initial release"  2025-04-16 RCSB 
# 
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 
A1JAQ "CARBOHYDRATE ISOMER" L        PDB ? 
A1JAQ "CARBOHYDRATE RING"   pyranose PDB ? 
A1JAQ "CARBOHYDRATE ANOMER" beta     PDB ? 
# 
