data_MTD
# 
_chem_comp.id                                    MTD 
_chem_comp.name                                  [METHYLTELLURO]ACETATE 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C3 H5 O2 Te" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    -1 
_chem_comp.pdbx_initial_date                     2000-03-27 
_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                        200.671 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     MTD 
_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   Y 
_chem_comp.pdbx_model_coordinates_db_code        1EL7 
_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 
MTD O5  O5  O  0  1 N N N 9.708  28.982 23.616 ? ? ? O5  MTD 1  
MTD O6  O6  O  -1 1 N N N 9.175  29.144 25.689 ? ? ? O6  MTD 2  
MTD C1  C1  C  0  1 N N N 9.606  29.652 24.640 ? ? ? C1  MTD 3  
MTD C2  C2  C  0  1 N N N 10.012 31.123 24.596 ? ? ? C2  MTD 4  
MTD TE3 TE3 TE 0  0 N N N 10.464 31.522 26.589 ? ? ? TE3 MTD 5  
MTD C4  C4  C  0  1 N N N 11.255 33.334 26.040 ? ? ? C4  MTD 6  
MTD H21 1H2 H  0  1 N N N 10.825 31.364 23.872 ? ? ? H21 MTD 7  
MTD H22 2H2 H  0  1 N N N 9.256  31.805 24.140 ? ? ? H22 MTD 8  
MTD H41 1H4 H  0  1 N N N 11.497 33.547 27.107 ? ? ? H41 MTD 9  
MTD H42 2H4 H  0  1 N N N 12.055 33.382 25.264 ? ? ? H42 MTD 10 
MTD H43 3H4 H  0  1 N N N 10.642 34.055 25.450 ? ? ? H43 MTD 11 
# 
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 
MTD O5  C1  DOUB N N 1  
MTD O6  C1  SING N N 2  
MTD C1  C2  SING N N 3  
MTD C2  TE3 SING N N 4  
MTD C2  H21 SING N N 5  
MTD C2  H22 SING N N 6  
MTD TE3 C4  SING N N 7  
MTD C4  H41 SING N N 8  
MTD C4  H42 SING N N 9  
MTD C4  H43 SING N N 10 
# 
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 
MTD SMILES           ACDLabs              10.04 [O-]C(=O)C[Te]C                                                  
MTD InChI            InChI                1.02b InChI=1/C3H6O2Te/c1-6-2-3(4)5/h2H2,1H3,(H,4,5)/p-1/fC3H5O2Te/q-1 
MTD InChIKey         InChI                1.02b OKJWQADPGUWQAJ-DVTPJJPCCY                                        
MTD SMILES_CANONICAL CACTVS               3.341 C[Te]CC([O-])=O                                                  
MTD SMILES           CACTVS               3.341 C[Te]CC([O-])=O                                                  
MTD SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 C[Te]CC(=O)[O-]                                                  
MTD SMILES           "OpenEye OEToolkits" 1.5.0 C[Te]CC(=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 
MTD "SYSTEMATIC NAME" ACDLabs              10.04 (methyltellanyl)acetate   
MTD "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 2-methyltellanylethanoate 
# 
