data_EHN
# 
_chem_comp.id                                    EHN 
_chem_comp.name                                  ETHANE 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C2 H6" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2002-11-01 
_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                        30.069 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     EHN 
_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        1N4B 
_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 
EHN C1 C1 C 0 1 N N N 5.345 -0.046 19.346 0.000  0.000  0.765  C1 EHN 1 
EHN C2 C2 C 0 1 N N N 5.193 -0.881 18.290 0.000  0.000  -0.765 C2 EHN 2 
EHN H1 H1 H 0 1 N N N 4.493 0.649  19.389 -0.009 1.027  1.128  H1 EHN 3 
EHN H2 H2 H 0 1 N N N 6.279 0.524  19.231 -0.885 -0.522 1.128  H2 EHN 4 
EHN H3 H3 H 0 1 N N N 5.386 -0.633 20.275 0.894  -0.505 1.128  H3 EHN 5 
EHN H4 H4 H 0 1 N N N 4.259 -1.451 18.405 0.009  -1.027 -1.128 H4 EHN 6 
EHN H5 H5 H 0 1 N N N 6.044 -1.576 18.247 -0.894 0.505  -1.128 H5 EHN 7 
EHN H6 H6 H 0 1 N N N 5.152 -0.294 17.361 0.885  0.522  -1.128 H6 EHN 8 
# 
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 
EHN C1 C2 SING N N 1 
EHN C1 H1 SING N N 2 
EHN C1 H2 SING N N 3 
EHN C1 H3 SING N N 4 
EHN C2 H4 SING N N 5 
EHN C2 H5 SING N N 6 
EHN C2 H6 SING N N 7 
# 
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 
EHN SMILES           ACDLabs              10.04 CC                        
EHN InChI            InChI                1.02b InChI=1/C2H6/c1-2/h1-2H3  
EHN InChIKey         InChI                1.02b OTMSDBZUPAUEDD-UHFFFAOYAK 
EHN SMILES_CANONICAL CACTVS               3.341 CC                        
EHN SMILES           CACTVS               3.341 CC                        
EHN SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 CC                        
EHN SMILES           "OpenEye OEToolkits" 1.5.0 CC                        
# 
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 
EHN "SYSTEMATIC NAME" ACDLabs              10.04 ethane 
EHN "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 ethane 
# 
