data_MOH
# 
_chem_comp.id                                    MOH 
_chem_comp.name                                  METHANOL 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_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                    2011-06-04 
_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        Corina 
_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 0.737  -0.015 -0.000 C  MOH 1 
MOH O  O  O 0 1 N N N 18.932 15.402 4.944 -0.690 0.068  0.000  O  MOH 2 
MOH H1 H1 H 0 1 N N N 17.513 15.648 6.355 1.070  -0.549 0.890  H1 MOH 3 
MOH H2 H2 H 0 1 N N N 17.271 16.537 4.813 1.070  -0.549 -0.890 H2 MOH 4 
MOH H3 H3 H 0 1 N N N 17.023 14.759 4.874 1.159  0.990  -0.000 H3 MOH 5 
MOH HO HO H 0 1 N N N 19.026 15.357 4.000 -1.133 -0.792 0.000  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              11.02 OC                          
MOH SMILES_CANONICAL CACTVS               3.352 CO                          
MOH SMILES           CACTVS               3.352 CO                          
MOH SMILES_CANONICAL "OpenEye OEToolkits" 1.7.0 CO                          
MOH SMILES           "OpenEye OEToolkits" 1.7.0 CO                          
MOH InChI            InChI                1.03  InChI=1S/CH4O/c1-2/h2H,1H3  
MOH InChIKey         InChI                1.03  OKKJLVBELUTLKV-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 
MOH "SYSTEMATIC NAME" ACDLabs              11.02 methanol 
MOH "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.6.1 methanol 
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
MOH "Create component"  1999-07-08 RCSB 
MOH "Modify descriptor" 2011-06-04 RCSB 
#