data_F9P # _chem_comp.id F9P _chem_comp.name N-hydroxycyclohexanecarboxamide _chem_comp.type NON-POLYMER _chem_comp.pdbx_type HETAIN _chem_comp.formula "C7 H13 N O2" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms cyclohexylhydroxamate _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 2018-03-22 _chem_comp.pdbx_modified_date 2020-06-17 _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 143.184 _chem_comp.one_letter_code ? _chem_comp.three_letter_code F9P _chem_comp.pdbx_model_coordinates_details ? _chem_comp.pdbx_model_coordinates_missing_flag N _chem_comp.pdbx_ideal_coordinates_details Corina _chem_comp.pdbx_ideal_coordinates_missing_flag N _chem_comp.pdbx_model_coordinates_db_code 6CSQ _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 F9P C10 C1 C 0 1 N N N -27.870 -4.496 8.726 -0.683 1.179 -0.346 C10 F9P 1 F9P C02 C2 C 0 1 N N N -27.719 -2.885 6.822 1.263 -0.306 0.054 C02 F9P 2 F9P C05 C3 C 0 1 N N N -28.662 -3.718 7.676 -0.177 -0.048 0.415 C05 F9P 3 F9P C06 C4 C 0 1 N N N -29.771 -2.889 8.325 -1.023 -1.266 0.037 C06 F9P 4 F9P C07 C5 C 0 1 N N N -30.662 -3.695 9.256 -2.486 -1.005 0.404 C07 F9P 5 F9P C08 C6 C 0 1 N N N -29.817 -4.400 10.311 -2.991 0.223 -0.356 C08 F9P 6 F9P C09 C7 C 0 1 N N N -28.787 -5.300 9.652 -2.145 1.441 0.021 C09 F9P 7 F9P N03 N1 N 0 1 N N N -26.343 -2.820 7.255 2.197 0.635 0.296 N03 F9P 8 F9P O01 O1 O 0 1 N N N -28.025 -2.275 5.817 1.581 -1.359 -0.456 O01 F9P 9 F9P O04 O2 O 0 1 N N N -25.569 -2.066 6.438 3.550 0.393 -0.043 O04 F9P 10 F9P H1 H1 H 0 1 N N N -27.186 -5.189 8.214 -0.080 2.047 -0.077 H1 F9P 11 F9P H2 H2 H 0 1 N N N -27.288 -3.785 9.331 -0.603 1.000 -1.418 H2 F9P 12 F9P H3 H3 H 0 1 N N N -29.144 -4.453 7.015 -0.257 0.131 1.487 H3 F9P 13 F9P H4 H4 H 0 1 N N N -29.306 -2.077 8.904 -0.944 -1.445 -1.035 H4 F9P 14 F9P H5 H5 H 0 1 N N N -30.397 -2.460 7.529 -0.664 -2.140 0.579 H5 F9P 15 F9P H6 H6 H 0 1 N N N -31.375 -3.020 9.752 -3.088 -1.872 0.135 H6 F9P 16 F9P H7 H7 H 0 1 N N N -31.214 -4.445 8.671 -2.565 -0.826 1.477 H7 F9P 17 F9P H8 H8 H 0 1 N N N -29.300 -3.647 10.924 -2.912 0.044 -1.429 H8 F9P 18 F9P H9 H9 H 0 1 N N N -30.472 -5.008 10.952 -4.032 0.409 -0.095 H9 F9P 19 F9P H10 H10 H 0 1 N N N -29.306 -6.071 9.064 -2.224 1.620 1.094 H10 F9P 20 F9P H11 H11 H 0 1 N N N -28.179 -5.782 10.432 -2.505 2.315 -0.521 H11 F9P 21 F9P H12 H12 H 0 1 N N N -25.998 -3.283 8.072 1.942 1.478 0.704 H12 F9P 22 F9P H13 H13 H 0 1 N N N -26.099 -1.720 5.729 4.146 1.125 0.169 H13 F9P 23 # # 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 F9P O01 C02 DOUB N N 1 F9P O04 N03 SING N N 2 F9P C02 N03 SING N N 3 F9P C02 C05 SING N N 4 F9P C05 C06 SING N N 5 F9P C05 C10 SING N N 6 F9P C06 C07 SING N N 7 F9P C10 C09 SING N N 8 F9P C07 C08 SING N N 9 F9P C09 C08 SING N N 10 F9P C10 H1 SING N N 11 F9P C10 H2 SING N N 12 F9P C05 H3 SING N N 13 F9P C06 H4 SING N N 14 F9P C06 H5 SING N N 15 F9P C07 H6 SING N N 16 F9P C07 H7 SING N N 17 F9P C08 H8 SING N N 18 F9P C08 H9 SING N N 19 F9P C09 H10 SING N N 20 F9P C09 H11 SING N N 21 F9P N03 H12 SING N N 22 F9P O04 H13 SING N N 23 # # 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 F9P SMILES ACDLabs 12.01 "C1CCCCC1C(NO)=O" F9P InChI InChI 1.03 "InChI=1S/C7H13NO2/c9-7(8-10)6-4-2-1-3-5-6/h6,10H,1-5H2,(H,8,9)" F9P InChIKey InChI 1.03 RFWDAWXPYZTVSN-UHFFFAOYSA-N F9P SMILES_CANONICAL CACTVS 3.385 "ONC(=O)C1CCCCC1" F9P SMILES CACTVS 3.385 "ONC(=O)C1CCCCC1" F9P SMILES_CANONICAL "OpenEye OEToolkits" 2.0.6 "C1CCC(CC1)C(=O)NO" F9P SMILES "OpenEye OEToolkits" 2.0.6 "C1CCC(CC1)C(=O)NO" # # 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 F9P "SYSTEMATIC NAME" ACDLabs 12.01 N-hydroxycyclohexanecarboxamide F9P "SYSTEMATIC NAME" "OpenEye OEToolkits" 2.0.6 "~{N}-oxidanylcyclohexanecarboxamide" # # loop_ _pdbx_chem_comp_audit.comp_id _pdbx_chem_comp_audit.action_type _pdbx_chem_comp_audit.date _pdbx_chem_comp_audit.processing_site F9P "Create component" 2018-03-22 RCSB F9P "Initial release" 2018-05-30 RCSB F9P "Modify synonyms" 2020-06-05 PDBE # _pdbx_chem_comp_synonyms.ordinal 1 _pdbx_chem_comp_synonyms.comp_id F9P _pdbx_chem_comp_synonyms.name cyclohexylhydroxamate _pdbx_chem_comp_synonyms.provenance ? _pdbx_chem_comp_synonyms.type ? ##