data_N2O
# 
_chem_comp.id                                    N2O 
_chem_comp.name                                  "NITROUS OXIDE" 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "N2 O" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         "NITROGEN OXIDE" 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2006-09-20 
_chem_comp.pdbx_modified_date                    2008-10-14 
_chem_comp.pdbx_ambiguous_flag                   ? 
_chem_comp.pdbx_release_status                   REL 
_chem_comp.pdbx_replaced_by                      ? 
_chem_comp.pdbx_replaces                         ? 
_chem_comp.formula_weight                        44.013 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     N2O 
_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                  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 
N2O O3 O3 O -1 1 N N N 24.480 33.840 39.864 12.637 -11.994 -7.613 O3 N2O 1 
N2O N2 N2 N 1  1 N N N 24.041 34.054 38.776 11.488 -12.816 -7.703 N2 N2O 2 
N2O N1 N1 N 0  1 N N N 23.716 34.228 37.706 10.606 -13.448 -7.772 N1 N2O 3 
# 
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 
N2O O3 N2 SING N N 1 
N2O N2 N1 TRIP N N 2 
# 
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 
N2O SMILES           ACDLabs              10.04 [O-][N+]#N                
N2O InChI            InChI                1.02b InChI=1/N2O/c1-2-3        
N2O InChIKey         InChI                1.02b GQPLMRYTRLFLPF-UHFFFAOYAP 
N2O SMILES_CANONICAL CACTVS               3.341 [O-][N+]#N                
N2O SMILES           CACTVS               3.341 [O-][N+]#N                
N2O SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 N#[N+][O-]                
N2O SMILES           "OpenEye OEToolkits" 1.5.0 N#[N+][O-]                
# 
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 
N2O "SYSTEMATIC NAME" ACDLabs              10.04 "nitrogen oxide" 
N2O "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 "nitrous oxide"  
# 
