data_XZA
# 
_chem_comp.id                                    XZA 
_chem_comp.name                                  "diazanecarboxylic acid" 
_chem_comp.type                                  peptide-like 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C H4 N2 O2" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2016-06-03 
_chem_comp.pdbx_modified_date                    2024-09-27 
_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                        76.055 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     XZA 
_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        5K86 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  RCSB 
_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_backbone_atom_flag 
_chem_comp_atom.pdbx_n_terminal_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 
XZA C   C   C 0 1 N N N Y N Y 8.119 1.582 2.277 -0.499 -0.079 -0.002 C   XZA 1 
XZA O   O   O 0 1 N N N Y N Y 7.727 1.660 3.433 -1.494 -0.776 0.019  O   XZA 2 
XZA NA  NA  N 0 1 N N N Y N N 7.358 2.070 1.204 0.723  -0.648 -0.012 NA  XZA 3 
XZA N   N   N 0 1 N N N Y Y N 6.120 2.671 1.442 1.841  0.135  -0.035 N   XZA 4 
XZA OXT OXT O 0 1 N Y N Y N Y 9.285 1.029 1.945 -0.617 1.262  -0.019 OXT XZA 5 
XZA HNA HNA H 0 1 N N N Y N N 7.702 1.987 0.269 0.807  -1.615 -0.003 HNA XZA 6 
XZA H2  HN2 H 0 1 N Y N Y Y N 5.716 2.959 0.574 1.846  0.782  0.739  HN2 XZA 7 
XZA H   HN1 H 0 1 N N N Y Y N 5.512 2.016 1.891 2.678  -0.429 -0.041 HN1 XZA 8 
XZA HXT HXT H 0 1 N Y N Y N Y 9.727 0.725 2.729 -1.513 1.624  -0.015 HXT XZA 9 
# 
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 
XZA NA  N   SING N N 1 
XZA NA  C   SING N N 2 
XZA C   O   DOUB N N 3 
XZA C   OXT SING N N 4 
XZA NA  HNA SING N N 5 
XZA N   H2  SING N N 6 
XZA N   H   SING N N 7 
XZA OXT HXT SING N N 8 
# 
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 
XZA InChI            InChI                1.03  "InChI=1S/CH4N2O2/c2-3-1(4)5/h3H,2H2,(H,4,5)" 
XZA InChIKey         InChI                1.03  OWIUPIRUAQMTTK-UHFFFAOYSA-N                   
XZA SMILES_CANONICAL CACTVS               3.385 "NNC(O)=O"                                    
XZA SMILES           CACTVS               3.385 "NNC(O)=O"                                    
XZA SMILES_CANONICAL "OpenEye OEToolkits" 2.0.5 "C(=O)(NN)O"                                  
XZA SMILES           "OpenEye OEToolkits" 2.0.5 "C(=O)(NN)O"                                  
# 
_pdbx_chem_comp_identifier.comp_id           XZA 
_pdbx_chem_comp_identifier.type              "SYSTEMATIC NAME" 
_pdbx_chem_comp_identifier.program           "OpenEye OEToolkits" 
_pdbx_chem_comp_identifier.program_version   2.0.5 
_pdbx_chem_comp_identifier.identifier        "diazanecarboxylic acid" 
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
XZA "Create component" 2016-06-03 RCSB 
XZA "Initial release"  2017-06-28 RCSB 
XZA "Modify backbone"  2023-11-03 PDBE 
XZA "Modify PCM"       2024-09-27 PDBE 
# 
_pdbx_chem_comp_pcm.pcm_id                             1 
_pdbx_chem_comp_pcm.comp_id                            XZA 
_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      ? 
# 
