data_FMT
# 
_chem_comp.id                                    FMT 
_chem_comp.name                                  "FORMIC ACID" 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAS 
_chem_comp.formula                               "C H2 O2" 
_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                         CBX 
_chem_comp.formula_weight                        46.025 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     FMT 
_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        2PVB 
_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 
FMT C   C   C 0 1 N N N 0.767  33.924 -2.279 0.421  0.000 -0.096 C   FMT 1 
FMT O1  O1  O 0 1 N N N 2.218  33.182 -2.070 -0.214 0.000 -1.124 O1  FMT 2 
FMT O2  O2  O 0 1 N N N 0.268  34.803 -1.195 -0.215 0.000 1.085  O2  FMT 3 
FMT H   H   H 0 1 N N N 0.115  33.830 -3.164 1.500  0.000 -0.129 H   FMT 4 
FMT HO2 HO2 H 0 1 N N N -0.571 35.232 -1.315 0.293  0.000 1.907  HO2 FMT 5 
# 
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 
FMT C  O1  DOUB N N 1 
FMT C  O2  SING N N 2 
FMT C  H   SING N N 3 
FMT O2 HO2 SING N N 4 
# 
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 
FMT SMILES           ACDLabs              10.04 O=CO                                   
FMT InChI            InChI                1.02b InChI=1/CH2O2/c2-1-3/h1H,(H,2,3)/f/h2H 
FMT InChIKey         InChI                1.02b BDAGIHXWWSANSR-QEZKKOIZCL              
FMT SMILES_CANONICAL CACTVS               3.341 OC=O                                   
FMT SMILES           CACTVS               3.341 OC=O                                   
FMT SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 C(=O)O                                 
FMT SMILES           "OpenEye OEToolkits" 1.5.0 C(=O)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 
FMT "SYSTEMATIC NAME" ACDLabs              10.04 "formic acid"    
FMT "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 "methanoic acid" 
# 
