data_GM1
# 
_chem_comp.id                                    GM1 
_chem_comp.name                                  AMINOMETHYLAMIDE 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C2 H6 N2 O" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         GLYCINAMID 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     1999-07-08 
_chem_comp.pdbx_modified_date                    2008-10-14 
_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                        74.082 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     GM1 
_chem_comp.pdbx_model_coordinates_details        ? 
_chem_comp.pdbx_model_coordinates_missing_flag   N 
_chem_comp.pdbx_ideal_coordinates_details        ? 
_chem_comp.pdbx_ideal_coordinates_missing_flag   N 
_chem_comp.pdbx_model_coordinates_db_code        1JAO 
_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.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 
GM1 C1   C1   C 0 1 N N N 32.172 58.343 45.357 -0.040 -0.005 -0.518 C1   GM1 1  
GM1 N1   N1   N 0 1 N N N 32.163 57.038 45.644 0.556  0.018  -1.726 N1   GM1 2  
GM1 O1   O1   O 0 1 N N N 32.781 58.798 44.383 -1.251 -0.021 -0.440 O1   GM1 3  
GM1 C2   C2   C 0 1 N N N 30.950 59.092 45.827 0.795  -0.012 0.735  C2   GM1 4  
GM1 N2   N2   N 0 1 N N N 30.888 59.478 47.217 -0.085 -0.039 1.911  N2   GM1 5  
GM1 HN11 1HN1 H 0 0 N N N 31.389 56.631 46.151 0.018  0.022  -2.533 HN11 GM1 6  
GM1 HN12 2HN1 H 0 0 N N N 32.968 56.545 45.298 1.524  0.030  -1.788 HN12 GM1 7  
GM1 H21  1H2  H 0 1 N N N 30.806 59.995 45.189 1.413  0.884  0.765  H21  GM1 8  
GM1 H22  2H2  H 0 1 N N N 30.038 58.504 45.569 1.435  -0.894 0.740  H22  GM1 9  
GM1 HN21 1HN2 H 0 0 N N N 31.177 60.375 47.487 0.514  -0.042 2.722  HN21 GM1 10 
GM1 HN22 2HN2 H 0 0 N N N 31.722 60.015 47.452 -0.581 0.839  1.921  HN22 GM1 11 
# 
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 
GM1 C1 N1   SING N N 1  
GM1 C1 O1   DOUB N N 2  
GM1 C1 C2   SING N N 3  
GM1 N1 HN11 SING N N 4  
GM1 N1 HN12 SING N N 5  
GM1 C2 N2   SING N N 6  
GM1 C2 H21  SING N N 7  
GM1 C2 H22  SING N N 8  
GM1 N2 HN21 SING N N 9  
GM1 N2 HN22 SING N N 10 
# 
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 
GM1 SMILES           ACDLabs              10.04 O=C(N)CN                                          
GM1 InChI            InChI                1.02b InChI=1/C2H6N2O/c3-1-2(4)5/h1,3H2,(H2,4,5)/f/h4H2 
GM1 InChIKey         InChI                1.02b BEBCJVAWIBVWNZ-LGEMBHMGCQ                         
GM1 SMILES_CANONICAL CACTVS               3.341 NCC(N)=O                                          
GM1 SMILES           CACTVS               3.341 NCC(N)=O                                          
GM1 SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 C(C(=O)N)N                                        
GM1 SMILES           "OpenEye OEToolkits" 1.5.0 C(C(=O)N)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 
GM1 "SYSTEMATIC NAME" ACDLabs              10.04 glycinamide       
GM1 "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 2-aminoethanamide 
# 
