data_MHV
# 
_chem_comp.id                                    MHV 
_chem_comp.name                                  "4-OXO-L-PIPECOLIC ACID" 
_chem_comp.type                                  "L-PEPTIDE LINKING" 
_chem_comp.pdbx_type                             ATOMP 
_chem_comp.formula                               "C6 H9 N O3" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2010-07-15 
_chem_comp.pdbx_modified_date                    2023-11-03 
_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                        143.141 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     MHV 
_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        2Z2P 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  EBI 
# 
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 
MHV N   N   N 0 1 N N N Y Y N -22.205 16.263 -23.810 -0.066 1.408  -0.076 N   MHV 1  
MHV CA  CA  C 0 1 N N S Y N N -22.139 17.548 -24.544 -0.507 0.038  -0.369 CA  MHV 2  
MHV C   C   C 0 1 N N N Y N Y -23.427 17.803 -25.338 -1.963 -0.108 -0.012 C   MHV 3  
MHV O   O   O 0 1 N N N Y N Y -23.470 17.748 -26.559 -2.479 0.672  0.753  O   MHV 4  
MHV CB  CB  C 0 1 N N N N N N -20.918 17.457 -25.464 0.324  -0.952 0.456  CB  MHV 5  
MHV CG  CG  C 0 1 N N N N N N -20.938 16.227 -26.338 1.789  -0.677 0.192  CG  MHV 6  
MHV OD1 OD1 O 0 1 N N N N N N -20.182 16.167 -27.294 2.551  -1.571 -0.089 OD1 MHV 7  
MHV CD2 CD2 C 0 1 N N N N N N -21.887 15.128 -26.037 2.267  0.757  0.291  CD2 MHV 8  
MHV CE  CE  C 0 1 N N N N N N -22.557 15.117 -24.654 1.313  1.638  -0.524 CE  MHV 9  
MHV OXT OXT O 0 1 N Y N Y N Y -24.514 18.085 -24.643 -2.688 -1.105 -0.544 OXT MHV 10 
MHV H   H   H 0 1 N Y N Y Y N -21.305 16.088 -23.410 -0.695 2.085  -0.480 H   MHV 11 
MHV HA  HA  H 0 1 N N N Y N N -22.042 18.396 -23.850 -0.370 -0.168 -1.430 HA  MHV 12 
MHV HE1 HE1 H 0 1 N N N N N N -22.242 14.202 -24.132 1.399  1.387  -1.581 HE1 MHV 13 
MHV HE2 HE2 H 0 1 N N N N N N -23.643 15.166 -24.824 1.573  2.687  -0.377 HE2 MHV 14 
MHV HB1 HB1 H 0 1 N N N N N N -20.906 18.345 -26.114 0.110  -0.817 1.516  HB1 MHV 15 
MHV HB2 HB2 H 0 1 N N N N N N -20.023 17.400 -24.827 0.082  -1.972 0.158  HB2 MHV 16 
MHV HXT HXT H 0 1 N Y N Y N Y -25.244 18.218 -25.236 -3.618 -1.158 -0.285 HXT MHV 17 
MHV HD1 HD1 H 0 1 N N N N N N -22.695 15.194 -26.781 2.262  1.075  1.334  HD1 MHV 18 
MHV HD2 HD2 H 0 1 N Y N N N N -21.276 14.214 -26.061 3.277  0.837  -0.113 HD2 MHV 19 
# 
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 
MHV N   CA  SING N N 1  
MHV N   CE  SING N N 2  
MHV CA  C   SING N N 3  
MHV CA  CB  SING N N 4  
MHV C   O   DOUB N N 5  
MHV C   OXT SING N N 6  
MHV CB  CG  SING N N 7  
MHV CG  OD1 DOUB N N 8  
MHV CG  CD2 SING N N 9  
MHV CD2 CE  SING N N 10 
MHV N   H   SING N N 11 
MHV CA  HA  SING N N 12 
MHV CE  HE1 SING N N 13 
MHV CE  HE2 SING N N 14 
MHV CB  HB1 SING N N 15 
MHV CB  HB2 SING N N 16 
MHV OXT HXT SING N N 17 
MHV CD2 HD1 SING N N 18 
MHV CD2 HD2 SING N N 19 
# 
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 
MHV SMILES           ACDLabs              10.04 "O=C(O)C1NCCC(=O)C1"                                                      
MHV SMILES_CANONICAL CACTVS               3.352 "OC(=O)[C@@H]1CC(=O)CCN1"                                                 
MHV SMILES           CACTVS               3.352 "OC(=O)[CH]1CC(=O)CCN1"                                                   
MHV SMILES_CANONICAL "OpenEye OEToolkits" 1.6.1 "C1CN[C@@H](CC1=O)C(=O)O"                                                 
MHV SMILES           "OpenEye OEToolkits" 1.6.1 "C1CNC(CC1=O)C(=O)O"                                                      
MHV InChI            InChI                1.03  "InChI=1S/C6H9NO3/c8-4-1-2-7-5(3-4)6(9)10/h5,7H,1-3H2,(H,9,10)/t5-/m0/s1" 
MHV InChIKey         InChI                1.03  UAISREBYDOFHJY-YFKPBYRVSA-N                                               
# 
loop_
_pdbx_chem_comp_identifier.comp_id 
_pdbx_chem_comp_identifier.type 
_pdbx_chem_comp_identifier.program 
_pdbx_chem_comp_identifier.program_version 
_pdbx_chem_comp_identifier.identifier 
MHV "SYSTEMATIC NAME" ACDLabs              10.04 "(2S)-4-oxopiperidine-2-carboxylic acid" 
MHV "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.6.1 "(2S)-4-oxopiperidine-2-carboxylic 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 
MHV "Create component"  2010-07-15 EBI  
MHV "Modify descriptor" 2011-06-04 RCSB 
MHV "Modify backbone"   2023-11-03 PDBE 
#