data_A1L7M
# 
_chem_comp.id                                    A1L7M 
_chem_comp.name                                  "cyclopropylcarbamic acid" 
_chem_comp.type                                  non-polymer 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C4 H7 N O2" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2025-02-06 
_chem_comp.pdbx_modified_date                    2025-08-15 
_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                        101.104 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     A1L7M 
_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        9KGJ 
_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 
A1L7M C1 C1 C 0 1 N N N N N N 6.435 17.128 33.038 2.389  0.262  0.691  C1 A1L7M 1  
A1L7M C5 C2 C 0 1 N N N N N N 7.971 16.262 30.074 -1.302 -0.021 0.008  C5 A1L7M 2  
A1L7M C2 C3 C 0 1 N N N N N N 7.352 16.015 32.510 1.111  -0.342 0.105  C2 A1L7M 3  
A1L7M O  O1 O 0 1 N N N N N N 6.915 15.821 29.736 -1.436 -1.227 0.066  O  A1L7M 4  
A1L7M N  N1 N 0 1 N N N N N N 8.314 16.434 31.491 -0.069 0.522  0.021  N  A1L7M 5  
A1L7M C  C4 C 0 1 N N N N N N 7.577 16.602 33.907 2.293  -0.015 -0.811 C  A1L7M 6  
A1L7M H1 H1 H 0 1 N N N N N N 6.492 18.138 32.607 2.351  1.303  1.014  H1 A1L7M 7  
A1L7M H2 H2 H 0 1 N N N N N N 5.392 16.901 33.304 3.029  -0.391 1.284  H2 A1L7M 8  
A1L7M H4 H4 H 0 1 N N N N N N 6.929 15.001 32.452 0.910  -1.393 0.312  H4 A1L7M 9  
A1L7M H5 H5 H 0 1 N N N N N N 9.192 16.832 31.756 0.037  1.485  -0.025 H5 A1L7M 10 
A1L7M H6 H6 H 0 1 N N N N N N 7.355 15.998 34.799 2.192  0.843  -1.475 H6 A1L7M 11 
A1L7M H7 H7 H 0 1 N N N N N N 8.455 17.235 34.102 2.869  -0.851 -1.206 H7 A1L7M 12 
A1L7M O1 O2 O 0 1 N Y N N N N 9.004 16.753 29.055 -2.387 0.773  -0.069 O1 A1L7M 13 
A1L7M H3 H3 H 0 1 N Y N N N N 8.660 16.643 28.176 -3.250 0.338  -0.075 H3 A1L7M 14 
# 
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 
A1L7M O  C5 DOUB N N 1  
A1L7M C5 N  SING N N 2  
A1L7M N  C2 SING N N 3  
A1L7M C2 C1 SING N N 4  
A1L7M C2 C  SING N N 5  
A1L7M C1 C  SING N N 6  
A1L7M C1 H1 SING N N 7  
A1L7M C1 H2 SING N N 8  
A1L7M C2 H4 SING N N 9  
A1L7M N  H5 SING N N 10 
A1L7M C  H6 SING N N 11 
A1L7M C  H7 SING N N 12 
A1L7M C5 O1 SING N N 13 
A1L7M O1 H3 SING N N 14 
# 
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 
A1L7M InChI            InChI                1.06  "InChI=1S/C4H7NO2/c6-4(7)5-3-1-2-3/h3,5H,1-2H2,(H,6,7)" 
A1L7M InChIKey         InChI                1.06  JHFINHOBWIGQHJ-UHFFFAOYSA-N                             
A1L7M SMILES_CANONICAL CACTVS               3.385 "OC(=O)NC1CC1"                                          
A1L7M SMILES           CACTVS               3.385 "OC(=O)NC1CC1"                                          
A1L7M SMILES_CANONICAL "OpenEye OEToolkits" 2.0.7 "C1CC1NC(=O)O"                                          
A1L7M SMILES           "OpenEye OEToolkits" 2.0.7 "C1CC1NC(=O)O"                                          
# 
_pdbx_chem_comp_identifier.comp_id           A1L7M 
_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        "cyclopropylcarbamic 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 
A1L7M "Create component" 2025-02-06 PDBJ 
A1L7M "Modify PCM"       2025-02-07 PDBJ 
A1L7M "Initial release"  2025-08-20 RCSB 
# 
_pdbx_chem_comp_pcm.pcm_id                             1 
_pdbx_chem_comp_pcm.comp_id                            A1L7M 
_pdbx_chem_comp_pcm.modified_residue_id                A1L7K 
_pdbx_chem_comp_pcm.type                               None 
_pdbx_chem_comp_pcm.category                           "Covalent chemical modification" 
_pdbx_chem_comp_pcm.position                           "Amino-acid backbone" 
_pdbx_chem_comp_pcm.polypeptide_position               C-terminal 
_pdbx_chem_comp_pcm.comp_id_linking_atom               C5 
_pdbx_chem_comp_pcm.modified_residue_id_linking_atom   C 
_pdbx_chem_comp_pcm.uniprot_specific_ptm_accession     ? 
_pdbx_chem_comp_pcm.uniprot_generic_ptm_accession      ? 
# 
