data_00E
# 
_chem_comp.id                                    00E 
_chem_comp.name                                  "morpholin-4-ylacetic acid" 
_chem_comp.type                                  "PEPTIDE LINKING" 
_chem_comp.pdbx_type                             ATOMP 
_chem_comp.formula                               "C6 H11 N O3" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2010-04-27 
_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                        145.156 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     00E 
_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        3LIX 
_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 
00E C    C    C 0 1 N N N Y N Y 25.692 27.292 28.552 2.221  0.020  0.086  C    00E 1  
00E O    O    O 0 1 N N N Y N Y 24.979 27.855 29.664 1.955  1.045  0.668  O1   00E 2  
00E CA   CA   C 0 1 N N N N N N 26.453 26.104 29.153 1.121  -0.934 -0.301 CA   00E 3  
00E NB   NB   N 0 1 N N N N N N 27.755 26.650 29.782 -0.172 -0.394 0.137  NB   00E 4  
00E OZ   OZ   O 0 1 N N N N N N 28.884 29.358 30.505 -2.848 0.396  -0.191 OZ   00E 5  
00E CD1  CD1  C 0 1 N N N N N N 27.460 27.348 31.124 -1.239 -1.395 -0.008 CD1  00E 6  
00E CD2  CD2  C 0 1 N N N N N N 28.490 27.543 28.749 -0.507 0.834  -0.599 CD2  00E 7  
00E CE1  CE1  C 0 1 N N N N N N 28.539 28.334 31.587 -2.554 -0.812 0.515  CE1  00E 8  
00E CE2  CE2  C 0 1 N N N N N N 29.416 28.661 29.252 -1.830 1.395  -0.071 CE2  00E 9  
00E OXT  OXT  O 0 1 N Y N Y N Y 25.654 27.782 27.209 3.497  -0.266 -0.220 O    00E 10 
00E HAA  HAA  H 0 1 N N N N N N 25.839 25.613 29.922 1.114  -1.060 -1.384 HAA  00E 11 
00E HAB  HAB  H 0 1 N N N N N N 26.691 25.372 28.367 1.292  -1.899 0.176  HAB  00E 12 
00E HD1  HD1  H 0 1 N N N N N N 26.520 27.909 31.011 -1.350 -1.659 -1.059 HD1  00E 13 
00E HD1A HD1A H 0 0 N N N N N N 27.366 26.568 31.894 -0.982 -2.286 0.566  HD1A 00E 14 
00E HD2  HD2  H 0 1 N N N N N N 29.117 26.869 28.147 0.283  1.571  -0.457 HD2  00E 15 
00E HD2A HD2A H 0 0 N N N N N N 27.708 28.034 28.151 -0.607 0.606  -1.660 HD2A 00E 16 
00E HE1  HE1  H 0 1 N N N N N N 29.448 27.768 31.837 -2.460 -0.599 1.579  HE1  00E 17 
00E HE1A HE1A H 0 0 N N N N N N 28.168 28.871 32.473 -3.359 -1.530 0.357  HE1A 00E 18 
00E HE2  HE2  H 0 1 N N N N N N 30.394 28.218 29.491 -2.112 2.273  -0.652 HE2  00E 19 
00E HE2A HE2A H 0 0 N N N N N N 29.516 29.412 28.455 -1.715 1.673  0.977  HE2A 00E 20 
00E HXT  HXT  H 0 1 N Y N Y N Y 25.083 28.540 27.164 4.168  0.376  0.050  HO   00E 21 
# 
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 
00E C   CA   SING N N 1  
00E C   O    DOUB N N 2  
00E CA  NB   SING N N 3  
00E NB  CD1  SING N N 4  
00E OZ  CE1  SING N N 5  
00E CD1 CE1  SING N N 6  
00E CD2 NB   SING N N 7  
00E CD2 CE2  SING N N 8  
00E CE2 OZ   SING N N 9  
00E C   OXT  SING N N 10 
00E CA  HAA  SING N N 11 
00E CA  HAB  SING N N 12 
00E CD1 HD1  SING N N 13 
00E CD1 HD1A SING N N 14 
00E CD2 HD2  SING N N 15 
00E CD2 HD2A SING N N 16 
00E CE1 HE1  SING N N 17 
00E CE1 HE1A SING N N 18 
00E CE2 HE2  SING N N 19 
00E CE2 HE2A SING N N 20 
00E OXT HXT  SING N N 21 
# 
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 
00E SMILES           ACDLabs              12.01 "O=C(O)CN1CCOCC1"                                          
00E SMILES_CANONICAL CACTVS               3.370 "OC(=O)CN1CCOCC1"                                          
00E SMILES           CACTVS               3.370 "OC(=O)CN1CCOCC1"                                          
00E SMILES_CANONICAL "OpenEye OEToolkits" 1.7.0 "C1COCCN1CC(=O)O"                                          
00E SMILES           "OpenEye OEToolkits" 1.7.0 "C1COCCN1CC(=O)O"                                          
00E InChI            InChI                1.03  "InChI=1S/C6H11NO3/c8-6(9)5-7-1-3-10-4-2-7/h1-5H2,(H,8,9)" 
00E InChIKey         InChI                1.03  VIWZVFVJPXTXPA-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 
00E "SYSTEMATIC NAME" ACDLabs              12.01 "morpholin-4-ylacetic acid"     
00E "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.7.0 "2-morpholin-4-ylethanoic 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 
00E "Create component"  2010-04-27 RCSB 
00E "Modify descriptor" 2011-06-04 RCSB 
00E "Modify backbone"   2023-11-03 PDBE 
# 
