data_A1MFI
# 
_chem_comp.id                                    A1MFI 
_chem_comp.name                                  "(3~{R})-3-azanylbutanoic acid" 
_chem_comp.type                                  "peptide linking" 
_chem_comp.pdbx_type                             ATOMP 
_chem_comp.formula                               "C4 H9 N O2" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         "(3R)-3-aminobutanoic acid" 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2026-03-12 
_chem_comp.pdbx_modified_date                    2026-05-22 
_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                        103.120 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     A1MFI 
_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        24HT 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  PDBJ 
_chem_comp.pdbx_pcm                              Y 
# 
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 
A1MFI N   N1  N 0 1 N N N Y Y N 25.158 -24.315 -29.211 -1.327 1.213  0.558  N   A1MFI 1  
A1MFI C   C1  C 0 1 N N N N Y Y 25.730 -25.453 -31.807 1.237  -0.084 -0.058 C   A1MFI 2  
A1MFI O   O1  O 0 1 N N N N Y Y 26.851 -25.641 -31.345 1.214  1.029  -0.529 O   A1MFI 3  
A1MFI CB  C2  C 0 1 N N N N Y N 24.492 -25.870 -31.030 -0.049 -0.838 0.158  CB  A1MFI 4  
A1MFI CA  C3  C 0 1 N N R N Y N 24.013 -24.848 -29.993 -1.229 0.023  -0.299 CA  A1MFI 5  
A1MFI CG  C4  C 0 1 N N N N N N 23.006 -25.476 -29.036 -2.522 -0.787 -0.197 CG  A1MFI 6  
A1MFI OXT O2  O 0 1 N Y N N Y Y 25.588 -24.868 -33.018 2.409  -0.648 0.273  O1  A1MFI 7  
A1MFI H1  H1  H 0 1 N N N Y Y N 24.825 -23.651 -28.541 -1.470 0.953  1.522  H1  A1MFI 8  
A1MFI H2  H2  H 0 1 N Y N Y Y N 25.616 -25.067 -28.736 -0.511 1.798  0.458  H2  A1MFI 9  
A1MFI H4  H4  H 0 1 N N N N Y N 23.676 -26.037 -31.749 -0.030 -1.763 -0.419 H4  A1MFI 10 
A1MFI H5  H5  H 0 1 N N N N Y N 24.717 -26.811 -30.506 -0.160 -1.073 1.216  H5  A1MFI 11 
A1MFI H6  H6  H 0 1 N N N N Y N 23.522 -24.018 -30.523 -1.074 0.332  -1.333 H6  A1MFI 12 
A1MFI H7  H7  H 0 1 N N N N N N 22.678 -24.724 -28.303 -2.677 -1.096 0.837  H7  A1MFI 13 
A1MFI H8  H8  H 0 1 N N N N N N 22.136 -25.838 -29.604 -3.362 -0.174 -0.522 H8  A1MFI 14 
A1MFI H9  H9  H 0 1 N N N N N N 23.477 -26.320 -28.510 -2.449 -1.670 -0.832 H9  A1MFI 15 
A1MFI HXT H10 H 0 1 N N N N Y Y 26.445 -24.666 -33.375 3.208  -0.125 0.116  H10 A1MFI 16 
# 
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 
A1MFI C   O   DOUB N N 1  
A1MFI C   CB  SING N N 2  
A1MFI CB  CA  SING N N 3  
A1MFI CA  N   SING N N 4  
A1MFI CA  CG  SING N N 5  
A1MFI C   OXT SING N N 6  
A1MFI N   H1  SING N N 7  
A1MFI N   H2  SING N N 8  
A1MFI CB  H4  SING N N 9  
A1MFI CB  H5  SING N N 10 
A1MFI CA  H6  SING N N 11 
A1MFI CG  H7  SING N N 12 
A1MFI CG  H8  SING N N 13 
A1MFI CG  H9  SING N N 14 
A1MFI OXT HXT SING N N 15 
# 
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 
A1MFI InChI            InChI                1.06  "InChI=1S/C4H9NO2/c1-3(5)2-4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m1/s1" 
A1MFI InChIKey         InChI                1.06  OQEBBZSWEGYTPG-GSVOUGTGSA-N                                       
A1MFI SMILES_CANONICAL CACTVS               3.385 "C[C@@H](N)CC(O)=O"                                               
A1MFI SMILES           CACTVS               3.385 "C[CH](N)CC(O)=O"                                                 
A1MFI SMILES_CANONICAL "OpenEye OEToolkits" 2.0.7 "C[C@H](CC(=O)O)N"                                                
A1MFI SMILES           "OpenEye OEToolkits" 2.0.7 "CC(CC(=O)O)N"                                                    
# 
_pdbx_chem_comp_identifier.comp_id           A1MFI 
_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        "(3~{R})-3-azanylbutanoic acid" 
# 
_pdbx_chem_comp_synonyms.ordinal      1 
_pdbx_chem_comp_synonyms.comp_id      A1MFI 
_pdbx_chem_comp_synonyms.name         "(3R)-3-aminobutanoic acid" 
_pdbx_chem_comp_synonyms.provenance   AUTHOR 
_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 
A1MFI "Create component" 2026-03-12 PDBJ 
A1MFI "Initial release"  2026-05-27 RCSB 
# 
_pdbx_chem_comp_pcm.pcm_id                             1 
_pdbx_chem_comp_pcm.comp_id                            A1MFI 
_pdbx_chem_comp_pcm.modified_residue_id                ? 
_pdbx_chem_comp_pcm.type                               None 
_pdbx_chem_comp_pcm.category                           "Non-standard residue" 
_pdbx_chem_comp_pcm.position                           "Amino-acid backbone" 
_pdbx_chem_comp_pcm.polypeptide_position               "Any position" 
_pdbx_chem_comp_pcm.comp_id_linking_atom               ? 
_pdbx_chem_comp_pcm.modified_residue_id_linking_atom   ? 
_pdbx_chem_comp_pcm.uniprot_specific_ptm_accession     ? 
_pdbx_chem_comp_pcm.uniprot_generic_ptm_accession      ? 
# 
