data_ACM
# 
_chem_comp.id                                    ACM 
_chem_comp.name                                  ACETAMIDE 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C2 H5 N O" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_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                         CNM 
_chem_comp.formula_weight                        59.067 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     ACM 
_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        1PEA 
_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.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 
ACM C1  C1  C 0 1 N N N 49.835 33.373 38.562 0.058  0.000  -0.030 C1  ACM 1 
ACM O   O   O 0 1 N N N 50.281 34.483 38.243 1.244  0.000  -0.284 O   ACM 2 
ACM N   N   N 0 1 N N N 48.868 32.792 37.890 -0.845 0.000  -1.030 N   ACM 3 
ACM C2  C2  C 0 1 N N N 50.440 32.591 39.725 -0.404 0.000  1.403  C2  ACM 4 
ACM HN1 1HN H 0 1 N N N 48.463 33.314 37.112 -0.547 0.000  -1.953 HN1 ACM 5 
ACM HN2 2HN H 0 1 N N N 48.500 31.877 38.152 -1.793 0.000  -0.826 HN2 ACM 6 
ACM H21 1H2 H 0 1 N N N 50.038 31.591 40.012 0.462  0.000  2.065  H21 ACM 7 
ACM H22 2H2 H 0 1 N N N 51.534 32.485 39.540 -1.004 0.890  1.591  H22 ACM 8 
ACM H23 3H2 H 0 1 N N N 50.423 33.244 40.628 -1.004 -0.890 1.591  H23 ACM 9 
# 
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 
ACM C1 O   DOUB N N 1 
ACM C1 N   SING N N 2 
ACM C1 C2  SING N N 3 
ACM N  HN1 SING N N 4 
ACM N  HN2 SING N N 5 
ACM C2 H21 SING N N 6 
ACM C2 H22 SING N N 7 
ACM C2 H23 SING N N 8 
# 
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 
ACM SMILES           ACDLabs              10.04 O=C(N)C                                      
ACM InChI            InChI                1.02b InChI=1/C2H5NO/c1-2(3)4/h1H3,(H2,3,4)/f/h3H2 
ACM InChIKey         InChI                1.02b DLFVBJFMPXGRIB-ZZOWFUDICC                    
ACM SMILES_CANONICAL CACTVS               3.341 CC(N)=O                                      
ACM SMILES           CACTVS               3.341 CC(N)=O                                      
ACM SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 CC(=O)N                                      
ACM SMILES           "OpenEye OEToolkits" 1.5.0 CC(=O)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 
ACM "SYSTEMATIC NAME" ACDLabs              10.04 acetamide  
ACM "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 ethanamide 
# 
