data_EOM
# 
_chem_comp.id                                    EOM 
_chem_comp.name                                  ETHYLOXYMETHOXYL 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAD 
_chem_comp.formula                               "C3 H7 O2" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    -1 
_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                         ? 
_chem_comp.formula_weight                        75.086 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     EOM 
_chem_comp.pdbx_model_coordinates_details        ? 
_chem_comp.pdbx_model_coordinates_missing_flag   Y 
_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                  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 
EOM "O2'"  O2*  O -1 1 N N N ? ? ? -1.870 -0.697 0.195  "O2'"  EOM 1  
EOM "CA'"  CA*  C 0  1 N N N ? ? ? -1.269 0.521  -0.250 "CA'"  EOM 2  
EOM "OB'"  OB*  O 0  1 N N N ? ? ? 0.039  0.640  0.313  "OB'"  EOM 3  
EOM "CC'"  CC*  C 0  1 N N N ? ? ? 0.881  -0.266 -0.402 "CC'"  EOM 4  
EOM "CD'"  CD*  C 0  1 N N N ? ? ? 2.304  -0.188 0.155  "CD'"  EOM 5  
EOM "HA'1" 1HA* H 0  0 N N N ? ? ? -1.880 1.366  0.069  "HA'1" EOM 6  
EOM "HA'2" 2HA* H 0  0 N N N ? ? ? -1.197 0.515  -1.338 "HA'2" EOM 7  
EOM "HC'1" 1HC* H 0  0 N N N ? ? ? 0.889  0.001  -1.458 "HC'1" EOM 8  
EOM "HC'2" 2HC* H 0  0 N N N ? ? ? 0.501  -1.282 -0.287 "HC'2" EOM 9  
EOM "HD'1" 1HD* H 0  0 N N N ? ? ? 2.296  -0.455 1.212  "HD'1" EOM 10 
EOM "HD'2" 2HD* H 0  0 N N N ? ? ? 2.946  -0.880 -0.390 "HD'2" EOM 11 
EOM "HD'3" 3HD* H 0  0 N N N ? ? ? 2.683  0.828  0.040  "HD'3" EOM 12 
# 
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 
EOM "O2'" "CA'"  SING N N 1  
EOM "CA'" "OB'"  SING N N 2  
EOM "CA'" "HA'1" SING N N 3  
EOM "CA'" "HA'2" SING N N 4  
EOM "OB'" "CC'"  SING N N 5  
EOM "CC'" "CD'"  SING N N 6  
EOM "CC'" "HC'1" SING N N 7  
EOM "CC'" "HC'2" SING N N 8  
EOM "CD'" "HD'1" SING N N 9  
EOM "CD'" "HD'2" SING N N 10 
EOM "CD'" "HD'3" SING N N 11 
# 
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 
EOM SMILES           CACTVS               2.87  CCOC[O-]                                 
EOM SMILES_CANONICAL CACTVS               2.87  CCOC[O-]                                 
EOM INCHI            InChi                1     InChI=1/C3H7O2/c1-2-5-3-4/h2-3H2,1H3/q-1 
EOM SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 CCOC[O-]                                 
EOM SMILES           "OpenEye OEToolkits" 1.5.0 CCOC[O-]                                 
# 
_pdbx_chem_comp_identifier.comp_id           EOM 
_pdbx_chem_comp_identifier.type              "SYSTEMATIC NAME" 
_pdbx_chem_comp_identifier.program           "OpenEye OEToolkits" 
_pdbx_chem_comp_identifier.program_version   1.5.0 
_pdbx_chem_comp_identifier.identifier        ethoxymethanolate 
# 
