data_ETH
# 
_chem_comp.id                                    ETH 
_chem_comp.name                                  "ETHYL GROUP" 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C2 H5" 
_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                   OBS 
_chem_comp.pdbx_replaced_by                      ? 
_chem_comp.pdbx_replaces                         ? 
_chem_comp.formula_weight                        29.061 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     ETH 
_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        ? 
_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 
ETH C1  C1  C 0 1 N N N 6.325 21.442 54.427 0.000  0.000  -0.765 C1  ETH 1 
ETH C2  C2  C 0 1 N N N 7.641 21.944 53.870 0.000  0.000  0.765  C2  ETH 2 
ETH H11 1H1 H 0 1 N N N 6.325 21.442 55.542 -0.894 0.505  -1.128 H11 ETH 3 
ETH H12 2H1 H 0 1 N N N 6.162 20.429 54.021 0.009  -1.027 -1.128 H12 ETH 4 
ETH H21 1H2 H 0 1 N N N 8.445 21.289 54.280 -0.009 1.027  1.128  H21 ETH 5 
ETH H22 2H2 H 0 1 N N N 7.650 22.000 52.756 -0.885 -0.522 1.128  H22 ETH 6 
ETH H23 3H2 H 0 1 N N N 7.814 23.026 54.070 0.894  -0.505 1.128  H23 ETH 7 
# 
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 
ETH C1 C2  SING N N 1 
ETH C1 H11 SING N N 2 
ETH C1 H12 SING N N 3 
ETH C2 H21 SING N N 4 
ETH C2 H22 SING N N 5 
ETH C2 H23 SING N N 6 
# 
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 
ETH SMILES           ACDLabs              10.04 CC                        
ETH InChI            InChI                1.02b InChI=1/C2H6/c1-2/h1-2H3  
ETH InChIKey         InChI                1.02b OTMSDBZUPAUEDD-UHFFFAOYAK 
ETH SMILES_CANONICAL CACTVS               3.341 "[CH2]C"                  
ETH SMILES           CACTVS               3.341 "[CH2]C"                  
ETH SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 "C[CH2]"                  
ETH SMILES           "OpenEye OEToolkits" 1.5.0 "C[CH2]"                  
# 
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 
ETH "SYSTEMATIC NAME" ACDLabs              10.04 ethane 
ETH "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 ethane 
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
ETH "Create component" 1999-07-08 RCSB 
# 
