data_MEU
# 
_chem_comp.id                                    MEU 
_chem_comp.name                                  O-METHYL-GLYCINE 
_chem_comp.type                                  "PEPTIDE LINKING" 
_chem_comp.pdbx_type                             ATOMP 
_chem_comp.formula                               "C3 H7 N O2" 
_chem_comp.mon_nstd_parent_comp_id               GLY 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2004-03-26 
_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                        89.093 
_chem_comp.one_letter_code                       G 
_chem_comp.three_letter_code                     MEU 
_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        ? 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  RCSB 
# 
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 
MEU CB  CB  C 0 1 N N N N N N 13.056 20.251 68.824 2.411  -0.084 0.009  CB  MEU 1  
MEU OXT OXT O 0 1 N N N Y N Y 14.474 20.198 69.027 1.191  0.703  0.012  OXT MEU 2  
MEU N   N   N 0 1 N N N Y Y N 17.156 20.776 67.899 -2.390 -0.179 -0.031 N   MEU 3  
MEU CA  CA  C 0 1 N N N Y N N 16.753 21.055 69.264 -1.276 0.778  -0.007 CA  MEU 4  
MEU C   C   C 0 1 N N N Y N Y 15.254 21.257 69.376 0.031  0.029  -0.008 C   MEU 5  
MEU O   O   O 0 1 N N N Y N Y 14.786 22.340 69.727 0.035  -1.179 -0.027 O   MEU 6  
MEU HB1 HB1 H 0 1 N N N N N N 12.687 19.252 68.550 3.274  0.583  0.026  HB1 MEU 7  
MEU HB2 HB2 H 0 1 N N N N N N 12.565 20.582 69.751 2.431  -0.727 0.889  HB2 MEU 8  
MEU HB3 HB3 H 0 1 N N N N N N 12.828 20.960 68.015 2.445  -0.698 -0.891 HB3 MEU 9  
MEU H   H   H 0 1 N N N Y Y N 18.147 20.649 67.863 -2.327 -0.827 0.741  H   MEU 10 
MEU H2  H2  H 0 1 N Y N Y Y N 16.702 19.944 67.581 -3.279 0.299  -0.030 H2  MEU 11 
MEU HA2 HA1 H 0 1 N N N Y N N 17.043 20.205 69.899 -1.329 1.419  -0.887 HA1 MEU 12 
MEU HA3 HA2 H 0 1 N N N Y N N 17.259 21.971 69.602 -1.343 1.390  0.893  HA2 MEU 13 
# 
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 
MEU CB  OXT SING N N 1  
MEU CB  HB1 SING N N 2  
MEU CB  HB2 SING N N 3  
MEU CB  HB3 SING N N 4  
MEU OXT C   SING N N 5  
MEU N   CA  SING N N 6  
MEU N   H   SING N N 7  
MEU N   H2  SING N N 8  
MEU CA  C   SING N N 9  
MEU CA  HA2 SING N N 10 
MEU CA  HA3 SING N N 11 
MEU C   O   DOUB N N 12 
# 
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 
MEU SMILES           ACDLabs              12.01 "O=C(OC)CN"                                
MEU SMILES_CANONICAL CACTVS               3.370 "COC(=O)CN"                                
MEU SMILES           CACTVS               3.370 "COC(=O)CN"                                
MEU SMILES_CANONICAL "OpenEye OEToolkits" 1.7.0 "COC(=O)CN"                                
MEU SMILES           "OpenEye OEToolkits" 1.7.0 "COC(=O)CN"                                
MEU InChI            InChI                1.03  "InChI=1S/C3H7NO2/c1-6-3(5)2-4/h2,4H2,1H3" 
MEU InChIKey         InChI                1.03  KQSSATDQUYCRGS-UHFFFAOYSA-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 
MEU "SYSTEMATIC NAME" ACDLabs              12.01 "methyl glycinate"         
MEU "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.7.0 "methyl 2-azanylethanoate" 
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
MEU "Create component"  2004-03-26 RCSB 
MEU "Modify descriptor" 2011-06-04 RCSB 
MEU "Modify backbone"   2023-11-03 PDBE 
# 
