data_E1H
# 
_chem_comp.id                                    E1H 
_chem_comp.name                                  ETHANIMINE 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C2 H5 N" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2006-02-24 
_chem_comp.pdbx_modified_date                    2024-09-27 
_chem_comp.pdbx_ambiguous_flag                   ? 
_chem_comp.pdbx_release_status                   REL 
_chem_comp.pdbx_replaced_by                      ? 
_chem_comp.pdbx_replaces                         ? 
_chem_comp.formula_weight                        43.068 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     E1H 
_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        ? 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  RCSB 
_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_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 
E1H N    N1   N 0 1 N N N Y Y N 1.439  26.936 34.173 -1.157 -0.291 0.000  N1   E1H 1 
E1H CA   CA1  C 0 1 N N N Y N N 0.650  25.921 33.926 -0.116 0.453  0.000  CA1  E1H 2 
E1H CB1  CB1  C 0 1 N N N N N N -0.721 25.977 34.557 1.256  -0.171 0.000  CB1  E1H 3 
E1H H    HN11 H 0 0 N N N Y Y N 0.945  27.576 34.761 -2.040 0.111  0.000  HN11 E1H 4 
E1H HA   HA12 H 0 0 N N N Y N N 0.961  25.092 33.307 -0.220 1.528  0.000  HA12 E1H 5 
E1H HB11 HB11 H 0 0 N N N N N N -1.301 25.093 34.253 1.374  -0.789 0.890  HB11 E1H 6 
E1H HB12 HB12 H 0 0 N N N N N N -1.240 26.888 34.225 1.374  -0.789 -0.890 HB12 E1H 7 
E1H HB13 HB13 H 0 0 N N N N N N -0.621 25.991 35.652 2.012  0.614  0.000  HB13 E1H 8 
# 
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 
E1H N   CA   DOUB N Z 1 
E1H N   H    SING N N 2 
E1H CA  CB1  SING N N 3 
E1H CA  HA   SING N N 4 
E1H CB1 HB11 SING N N 5 
E1H CB1 HB12 SING N N 6 
E1H CB1 HB13 SING N N 7 
# 
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 
E1H SMILES           ACDLabs              10.04 "[N@H]=CC"                            
E1H SMILES_CANONICAL CACTVS               3.341 CC=N                                  
E1H SMILES           CACTVS               3.341 CC=N                                  
E1H SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 "[H]/N=C\C"                           
E1H SMILES           "OpenEye OEToolkits" 1.5.0 "[H]N=CC"                             
E1H InChI            InChI                1.03  InChI=1S/C2H5N/c1-2-3/h2-3H,1H3/b3-2- 
E1H InChIKey         InChI                1.03  MPAYEWNVIPXRDP-IHWYPQMZSA-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 
E1H "SYSTEMATIC NAME" ACDLabs              10.04 "(1Z)-ethanimine" 
E1H "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 ethanimine        
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
E1H "Create component"  2006-02-24 RCSB 
E1H "Modify descriptor" 2011-06-04 RCSB 
E1H "Modify backbone"   2023-11-03 PDBE 
E1H "Modify PCM"        2024-09-27 PDBE 
# 
_pdbx_chem_comp_pcm.pcm_id                             1 
_pdbx_chem_comp_pcm.comp_id                            E1H 
_pdbx_chem_comp_pcm.modified_residue_id                ALA 
_pdbx_chem_comp_pcm.type                               Decarboxylation 
_pdbx_chem_comp_pcm.category                           "Named protein 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               ? 
_pdbx_chem_comp_pcm.modified_residue_id_linking_atom   ? 
_pdbx_chem_comp_pcm.uniprot_specific_ptm_accession     ? 
_pdbx_chem_comp_pcm.uniprot_generic_ptm_accession      ? 
# 
