data_CMO
# 
_chem_comp.id                                    CMO 
_chem_comp.name                                  "CARBON MONOXIDE" 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C 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                    2008-12-05 
_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                        28.010 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     CMO 
_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        1BZR 
_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 
CMO C C C -1 1 N N N -0.296 8.526 17.112 0.607  0.000 0.000 C CMO 1 
CMO O O O 1  1 N N N 0.023  7.997 18.053 -0.600 0.000 0.000 O CMO 2 
# 
_chem_comp_bond.comp_id              CMO 
_chem_comp_bond.atom_id_1            C 
_chem_comp_bond.atom_id_2            O 
_chem_comp_bond.value_order          TRIP 
_chem_comp_bond.pdbx_aromatic_flag   N 
_chem_comp_bond.pdbx_stereo_config   N 
_chem_comp_bond.pdbx_ordinal         1 
# 
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 
CMO SMILES           ACDLabs              10.04 [O+]#[C-]                 
CMO InChI            InChI                1.02b InChI=1/CO/c1-2           
CMO InChIKey         InChI                1.02b UGFAIRIUMAVXCW-UHFFFAOYAT 
CMO SMILES_CANONICAL CACTVS               3.341 [C-]#[O+]                 
CMO SMILES           CACTVS               3.341 [C-]#[O+]                 
CMO SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 [C-]#[O+]                 
CMO SMILES           "OpenEye OEToolkits" 1.5.0 [C-]#[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 
CMO "SYSTEMATIC NAME" ACDLabs              10.04 "carbon monooxide" 
CMO "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 "carbon monoxide"  
# 
