data_DMF
# 
_chem_comp.id                                    DMF 
_chem_comp.name                                  DIMETHYLFORMAMIDE 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C3 H7 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                    2011-06-04 
_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                        73.094 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     DMF 
_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        7EST 
_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 
DMF C1  C1  C 0 1 N N N 11.740 46.781 3.521 -0.721 0.000  1.696  C1  DMF 1  
DMF C2  C2  C 0 1 N N N 12.462 49.003 4.578 1.461  0.000  0.402  C2  DMF 2  
DMF C   C   C 0 1 N N N 10.213 48.680 3.693 -0.691 0.000  -0.739 C   DMF 3  
DMF O   O   O 0 1 N N N 9.888  49.148 2.607 -0.097 0.000  -1.797 O   DMF 4  
DMF N   N   N 0 1 N N N 11.437 48.200 3.863 -0.003 0.000  0.419  N   DMF 5  
DMF H11 1H1 H 0 1 N N N 10.970 46.178 2.984 -1.347 -0.890 1.761  H11 DMF 6  
DMF H12 2H1 H 0 1 N N N 12.691 46.746 2.941 -0.003 0.000  2.516  H12 DMF 7  
DMF H13 3H1 H 0 1 N N N 12.033 46.242 4.452 -1.346 0.890  1.761  H13 DMF 8  
DMF H21 1H2 H 0 1 N N N 12.235 50.064 4.833 1.812  0.000  -0.629 H21 DMF 9  
DMF H22 2H2 H 0 1 N N N 12.755 48.464 5.509 1.830  0.890  0.911  H22 DMF 10 
DMF H23 3H2 H 0 1 N N N 13.413 48.968 3.998 1.830  -0.890 0.911  H23 DMF 11 
DMF HC  HC  H 0 1 N N N 9.440  48.690 4.480 -1.771 0.000  -0.727 HC  DMF 12 
# 
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 
DMF C1 N   SING N N 1  
DMF C1 H11 SING N N 2  
DMF C1 H12 SING N N 3  
DMF C1 H13 SING N N 4  
DMF C2 N   SING N N 5  
DMF C2 H21 SING N N 6  
DMF C2 H22 SING N N 7  
DMF C2 H23 SING N N 8  
DMF C  O   DOUB N N 9  
DMF C  N   SING N N 10 
DMF C  HC  SING N N 11 
# 
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 
DMF SMILES           ACDLabs              10.04 "O=CN(C)C"                             
DMF SMILES_CANONICAL CACTVS               3.341 "CN(C)C=O"                             
DMF SMILES           CACTVS               3.341 "CN(C)C=O"                             
DMF SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 "CN(C)C=O"                             
DMF SMILES           "OpenEye OEToolkits" 1.5.0 "CN(C)C=O"                             
DMF InChI            InChI                1.03  "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" 
DMF InChIKey         InChI                1.03  ZMXDDKWLCZADIW-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 
DMF "SYSTEMATIC NAME" ACDLabs              10.04 N,N-dimethylformamide   
DMF "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 N,N-dimethylmethanamide 
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
DMF "Create component"  1999-07-08 RCSB 
DMF "Modify descriptor" 2011-06-04 RCSB 
# 
