data_MOH
# 
_chem_comp.id                                    MOH 
_chem_comp.name                                  METHANOL 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAS 
_chem_comp.formula                               "C H4 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                         OMB 
_chem_comp.formula_weight                        32.042 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     MOH 
_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        1A7Y 
_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 
MOH C  C  C 0 1 N N N 17.622 15.596 5.262 -0.011 0.000  0.733  C  MOH 1 
MOH O  O  O 0 1 N N N 18.932 15.402 4.944 0.067  0.000  -0.693 O  MOH 2 
MOH H1 1H H 0 1 N N N 17.413 16.660 5.001 -0.544 -0.890 1.067  H1 MOH 3 
MOH H2 2H H 0 1 N N N 16.928 14.869 4.778 -0.544 0.890  1.067  H2 MOH 4 
MOH H3 3H H 0 1 N N N 17.370 15.332 6.315 0.994  0.000  1.153  H3 MOH 5 
MOH HO HO H 0 1 N N N 19.146 15.626 4.046 -0.841 0.000  -1.023 HO MOH 6 
# 
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 
MOH C O  SING N N 1 
MOH C H1 SING N N 2 
MOH C H2 SING N N 3 
MOH C H3 SING N N 4 
MOH O HO SING N N 5 
# 
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 
MOH SMILES           ACDLabs              10.04 OC                        
MOH InChI            InChI                1.02b InChI=1/CH4O/c1-2/h2H,1H3 
MOH InChIKey         InChI                1.02b OKKJLVBELUTLKV-UHFFFAOYAX 
MOH SMILES_CANONICAL CACTVS               3.341 CO                        
MOH SMILES           CACTVS               3.341 CO                        
MOH SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 CO                        
MOH SMILES           "OpenEye OEToolkits" 1.5.0 CO                        
# 
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 
MOH "SYSTEMATIC NAME" ACDLabs              10.04 methanol 
MOH "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 methanol 
# 
