data_F09
# 
_chem_comp.id                                    F09 
_chem_comp.name                                  NONAN-1-OL 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C9 H20 O" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2001-10-31 
_chem_comp.pdbx_modified_date                    2011-06-04 
_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                        144.254 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     F09 
_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        1K4C 
_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 
F09 C1  C1  C 0 1 N N N 156.557 133.709 -38.358 -0.323 0.000  5.695  C1  F09 1  
F09 C2  C2  C 0 1 N N N 157.182 133.064 -37.120 0.535  0.000  4.429  C2  F09 2  
F09 C3  C3  C 0 1 N N N 156.625 131.660 -36.846 -0.371 0.000  3.197  C3  F09 3  
F09 C4  C4  C 0 1 N N N 155.246 131.683 -36.169 0.488  0.000  1.931  C4  F09 4  
F09 C5  C5  C 0 1 N N N 155.319 131.799 -34.639 -0.419 0.000  0.699  C5  F09 5  
F09 C6  C6  C 0 1 N N N 155.716 130.474 -33.993 0.440  0.000  -0.566 C6  F09 6  
F09 C7  C7  C 0 1 N N N 155.669 130.525 -32.473 -0.466 0.000  -1.799 C7  F09 7  
F09 C8  C8  C 0 1 N N N 156.103 129.184 -31.889 0.392  0.000  -3.064 C8  F09 8  
F09 C9  C9  C 0 1 N N N 156.083 129.170 -30.359 -0.514 0.000  -4.297 C9  F09 9  
F09 OXT OXT O 0 1 N N N 156.850 129.882 -29.697 0.288  0.000  -5.479 OXT F09 10 
F09 H11 1H1 H 0 1 N N N 156.961 134.728 -38.557 0.322  0.000  6.572  H11 F09 11 
F09 H12 2H1 H 0 1 N N N 156.666 133.051 -39.252 -0.952 0.890  5.707  H12 F09 12 
F09 H13 3H1 H 0 1 N N N 155.444 133.725 -38.283 -0.952 -0.890 5.707  H13 F09 13 
F09 H21 1H2 H 0 1 N N N 158.294 133.047 -37.194 1.165  0.890  4.417  H21 F09 14 
F09 H22 2H2 H 0 1 N N N 157.072 133.721 -36.226 1.165  -0.890 4.417  H22 F09 15 
F09 H31 1H3 H 0 1 N N N 156.599 131.052 -37.780 -1.000 -0.890 3.209  H31 F09 16 
F09 H32 2H3 H 0 1 N N N 157.349 131.053 -36.253 -1.000 0.890  3.209  H32 F09 17 
F09 H41 1H4 H 0 1 N N N 154.609 132.492 -36.596 1.117  0.890  1.919  H41 F09 18 
F09 H42 2H4 H 0 1 N N N 154.643 130.794 -36.469 1.117  -0.890 1.919  H42 F09 19 
F09 H51 1H5 H 0 1 N N N 155.999 132.624 -34.325 -1.048 -0.890 0.711  H51 F09 20 
F09 H52 2H5 H 0 1 N N N 154.364 132.189 -34.214 -1.048 0.890  0.711  H52 F09 21 
F09 H61 1H6 H 0 1 N N N 155.093 129.635 -34.384 1.069  0.890  -0.578 H61 F09 22 
F09 H62 2H6 H 0 1 N N N 156.717 130.138 -34.351 1.069  -0.890 -0.578 H62 F09 23 
F09 H71 1H7 H 0 1 N N N 156.269 131.371 -32.065 -1.096 -0.890 -1.786 H71 F09 24 
F09 H72 2H7 H 0 1 N N N 154.667 130.839 -32.097 -1.095 0.890  -1.786 H72 F09 25 
F09 H81 1H8 H 0 1 N N N 155.490 128.350 -32.304 1.021  0.890  -3.076 H81 F09 26 
F09 H82 2H8 H 0 1 N N N 157.103 128.883 -32.278 1.021  -0.890 -3.076 H82 F09 27 
F09 H91 1H9 H 0 1 N N N 155.040 129.386 -30.027 -1.143 -0.890 -4.285 H91 F09 28 
F09 H92 2H9 H 0 1 N N N 156.217 128.115 -30.023 -1.143 0.890  -4.285 H92 F09 29 
F09 HXT HXT H 0 1 N N N 156.837 129.873 -28.747 -0.320 0.000  -6.230 HXT F09 30 
# 
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 
F09 C1  C2  SING N N 1  
F09 C1  H11 SING N N 2  
F09 C1  H12 SING N N 3  
F09 C1  H13 SING N N 4  
F09 C2  C3  SING N N 5  
F09 C2  H21 SING N N 6  
F09 C2  H22 SING N N 7  
F09 C3  C4  SING N N 8  
F09 C3  H31 SING N N 9  
F09 C3  H32 SING N N 10 
F09 C4  C5  SING N N 11 
F09 C4  H41 SING N N 12 
F09 C4  H42 SING N N 13 
F09 C5  C6  SING N N 14 
F09 C5  H51 SING N N 15 
F09 C5  H52 SING N N 16 
F09 C6  C7  SING N N 17 
F09 C6  H61 SING N N 18 
F09 C6  H62 SING N N 19 
F09 C7  C8  SING N N 20 
F09 C7  H71 SING N N 21 
F09 C7  H72 SING N N 22 
F09 C8  C9  SING N N 23 
F09 C8  H81 SING N N 24 
F09 C8  H82 SING N N 25 
F09 C9  OXT SING N N 26 
F09 C9  H91 SING N N 27 
F09 C9  H92 SING N N 28 
F09 OXT HXT SING N N 29 
# 
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 
F09 SMILES           ACDLabs              10.04 OCCCCCCCCC                                           
F09 SMILES_CANONICAL CACTVS               3.341 CCCCCCCCCO                                           
F09 SMILES           CACTVS               3.341 CCCCCCCCCO                                           
F09 SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 CCCCCCCCCO                                           
F09 SMILES           "OpenEye OEToolkits" 1.5.0 CCCCCCCCCO                                           
F09 InChI            InChI                1.03  InChI=1S/C9H20O/c1-2-3-4-5-6-7-8-9-10/h10H,2-9H2,1H3 
F09 InChIKey         InChI                1.03  ZWRUINPWMLAQRD-UHFFFAOYSA-N                          
# 
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 
F09 "SYSTEMATIC NAME" ACDLabs              10.04 nonan-1-ol 
F09 "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 nonan-1-ol 
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
F09 "Create component"  2001-10-31 RCSB 
F09 "Modify descriptor" 2011-06-04 RCSB 
# 
