data_A1L9X
# 
_chem_comp.id                                    A1L9X 
_chem_comp.name                                  "4-azanylpiperidine-4-carboxylic acid" 
_chem_comp.type                                  "L-peptide linking" 
_chem_comp.pdbx_type                             ATOMP 
_chem_comp.formula                               "C6 H12 N2 O2" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         "4-Aminopiperidine-4-carboxylic acid" 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2025-05-30 
_chem_comp.pdbx_modified_date                    2025-10-31 
_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                        144.172 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     A1L9X 
_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        9V8F 
_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 
A1L9X CA  C1  C 0 1 N N S N Y N 16.060 28.177 20.213 -0.255 -0.087 -0.189 CA  A1L9X 1  
A1L9X CB  C2  C 0 1 N N N N N N 16.343 29.280 21.241 0.495  1.238  -0.346 CB  A1L9X 2  
A1L9X CG  C3  C 0 1 N N N N N N 15.951 30.661 20.752 1.965  0.954  -0.662 CG  A1L9X 3  
A1L9X ND  N1  N 0 1 N N N N N N 16.508 30.991 19.434 2.556  0.162  0.424  ND  A1L9X 4  
A1L9X CE  C4  C 0 1 N N N N N N 16.071 30.007 18.485 1.883  -1.136 0.563  CE  A1L9X 5  
A1L9X CZ  C5  C 0 1 N N N N N N 16.557 28.611 18.841 0.411  -0.913 0.916  CZ  A1L9X 6  
A1L9X C   C6  C 0 1 N N N N Y Y 16.827 26.911 20.637 -1.690 0.186  0.182  C   A1L9X 7  
A1L9X O   O1  O 0 1 N N N N Y Y 17.778 26.453 19.968 -1.984 1.217  0.738  O   A1L9X 8  
A1L9X N   N2  N 0 1 N N N Y Y N 14.613 27.969 20.176 -0.208 -0.831 -1.455 N   A1L9X 9  
A1L9X H1  H1  H 0 1 N N N N N N 15.776 29.059 22.157 0.052  1.813  -1.160 H1  A1L9X 10 
A1L9X H2  H2  H 0 1 N N N N N N 17.420 29.281 21.467 0.425  1.808  0.581  H2  A1L9X 11 
A1L9X H3  H3  H 0 1 N N N N N N 16.311 31.404 21.479 2.034  0.396  -1.597 H3  A1L9X 12 
A1L9X H4  H4  H 0 1 N N N N N N 14.854 30.711 20.690 2.504  1.896  -0.760 H4  A1L9X 13 
A1L9X H5  H5  H 0 1 N N N N N N 17.507 30.991 19.482 2.539  0.673  1.294  H5  A1L9X 14 
A1L9X H7  H7  H 0 1 N N N N N N 16.460 30.275 17.492 1.953  -1.683 -0.377 H7  A1L9X 15 
A1L9X H8  H8  H 0 1 N N N N N N 14.971 30.003 18.459 2.363  -1.711 1.354  H8  A1L9X 16 
A1L9X H9  H9  H 0 1 N N N N N N 16.187 27.901 18.086 0.340  -0.378 1.863  H9  A1L9X 17 
A1L9X H10 H10 H 0 1 N N N N N N 17.657 28.605 18.842 -0.092 -1.876 1.003  H10 A1L9X 18 
A1L9X H   H12 H 0 1 N N N Y Y N 14.293 27.684 21.080 -0.694 -1.711 -1.376 H   A1L9X 19 
A1L9X H13 H13 H 0 1 N Y N Y Y N 14.160 28.822 19.916 -0.581 -0.278 -2.213 H13 A1L9X 20 
A1L9X OXT OXT O 0 1 N Y N N Y Y 16.449 26.373 21.804 -2.641 -0.716 -0.106 OXT A1L9X 21 
A1L9X HXT H6  H 0 1 N Y N N Y Y 17.006 25.630 22.006 -3.547 -0.496 0.151  HXT A1L9X 22 
# 
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 
A1L9X CE  CZ  SING N N 1  
A1L9X CE  ND  SING N N 2  
A1L9X CZ  CA  SING N N 3  
A1L9X ND  CG  SING N N 4  
A1L9X O   C   DOUB N N 5  
A1L9X N   CA  SING N N 6  
A1L9X CA  C   SING N N 7  
A1L9X CA  CB  SING N N 8  
A1L9X CG  CB  SING N N 9  
A1L9X CB  H1  SING N N 10 
A1L9X CB  H2  SING N N 11 
A1L9X CG  H3  SING N N 12 
A1L9X CG  H4  SING N N 13 
A1L9X ND  H5  SING N N 14 
A1L9X CE  H7  SING N N 15 
A1L9X CE  H8  SING N N 16 
A1L9X CZ  H9  SING N N 17 
A1L9X CZ  H10 SING N N 18 
A1L9X N   H   SING N N 19 
A1L9X N   H13 SING N N 20 
A1L9X C   OXT SING N N 21 
A1L9X OXT HXT SING N N 22 
# 
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 
A1L9X InChI            InChI                1.06  "InChI=1S/C6H12N2O2/c7-6(5(9)10)1-3-8-4-2-6/h8H,1-4,7H2,(H,9,10)" 
A1L9X InChIKey         InChI                1.06  KHABBYNLBYZCKP-UHFFFAOYSA-N                                       
A1L9X SMILES_CANONICAL CACTVS               3.385 "NC1(CCNCC1)C(O)=O"                                               
A1L9X SMILES           CACTVS               3.385 "NC1(CCNCC1)C(O)=O"                                               
A1L9X SMILES_CANONICAL "OpenEye OEToolkits" 2.0.7 "C1CNCCC1(C(=O)O)N"                                               
A1L9X SMILES           "OpenEye OEToolkits" 2.0.7 "C1CNCCC1(C(=O)O)N"                                               
# 
_pdbx_chem_comp_identifier.comp_id           A1L9X 
_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        "4-azanylpiperidine-4-carboxylic acid" 
# 
_pdbx_chem_comp_synonyms.ordinal      1 
_pdbx_chem_comp_synonyms.comp_id      A1L9X 
_pdbx_chem_comp_synonyms.name         "4-Aminopiperidine-4-carboxylic acid" 
_pdbx_chem_comp_synonyms.provenance   PUBCHEM 
_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 
A1L9X "Create component" 2025-05-30 PDBJ 
A1L9X "Modify PCM"       2025-06-03 PDBJ 
A1L9X "Initial release"  2025-11-05 RCSB 
# 
_pdbx_chem_comp_pcm.pcm_id                             1 
_pdbx_chem_comp_pcm.comp_id                            A1L9X 
_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 side chain" 
_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      ? 
# 
