data_CAM
# 
_chem_comp.id                                    CAM 
_chem_comp.name                                  CAMPHOR 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C10 H16 O" 
_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                   REL 
_chem_comp.pdbx_replaced_by                      ? 
_chem_comp.pdbx_replaces                         ? 
_chem_comp.formula_weight                        152.233 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     CAM 
_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        6CP4 
_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 
CAM C1   C1   C 0 1 N N R 7.555  7.626  14.568 -0.525 0.535  -0.253 C1   CAM 1  
CAM C2   C2   C 0 1 N N N 9.049  7.681  14.338 0.171  -0.172 -1.422 C2   CAM 2  
CAM O    O    O 0 1 N N N 9.869  7.674  15.253 -0.138 -0.138 -2.589 O    CAM 3  
CAM C3   C3   C 0 1 N N N 9.410  7.829  12.905 1.332  -0.943 -0.781 C3   CAM 4  
CAM C4   C4   C 0 1 N N R 7.974  7.821  12.357 1.247  -0.603 0.738  C4   CAM 5  
CAM C5   C5   C 0 1 N N N 7.442  6.364  12.568 1.657  0.897  0.841  C5   CAM 6  
CAM C6   C6   C 0 1 N N N 7.071  6.245  14.075 0.484  1.663  0.186  C6   CAM 7  
CAM C7   C7   C 0 1 N N N 7.205  8.569  13.435 -0.308 -0.491 0.912  C7   CAM 8  
CAM C8   C8   C 0 1 N N N 7.795  10.001 13.656 -1.014 -1.822 0.645  C8   CAM 9  
CAM C9   C9   C 0 1 N N N 5.685  8.565  13.158 -0.694 0.091  2.273  C9   CAM 10 
CAM C10  C10  C 0 1 N N N 7.146  8.136  15.934 -1.967 0.988  -0.492 C10  CAM 11 
CAM H31  1H3  H 0 1 N N N 10.055 8.695  12.629 2.285  -0.589 -1.175 H31  CAM 12 
CAM H32  2H3  H 0 1 N N N 10.121 7.083  12.479 1.221  -2.013 -0.959 H32  CAM 13 
CAM H4   H4   H 0 1 N N N 7.896  8.199  11.310 1.763  -1.288 1.411  H4   CAM 14 
CAM H51  1H5  H 0 1 N N N 6.603  6.096  11.883 1.767  1.191  1.885  H51  CAM 15 
CAM H52  2H5  H 0 1 N N N 8.155  5.578  12.225 2.582  1.078  0.294  H52  CAM 16 
CAM H61  1H6  H 0 1 N N N 7.485  5.360  14.612 0.022  2.338  0.906  H61  CAM 17 
CAM H62  2H6  H 0 1 N N N 6.008  5.990  14.298 0.832  2.217  -0.685 H62  CAM 18 
CAM H81  1H8  H 0 1 N N N 7.537  10.695 12.822 -0.748 -2.537 1.424  H81  CAM 19 
CAM H82  2H8  H 0 1 N N N 7.481  10.419 14.640 -2.093 -1.668 0.647  H82  CAM 20 
CAM H83  3H8  H 0 1 N N N 8.896  9.962  13.823 -0.704 -2.210 -0.324 H83  CAM 21 
CAM H91  1H9  H 0 1 N N N 5.427  9.259  12.324 -0.426 -0.613 3.060  H91  CAM 22 
CAM H92  2H9  H 0 1 N N N 5.305  7.534  12.966 -0.162 1.030  2.430  H92  CAM 23 
CAM H93  3H9  H 0 1 N N N 5.099  8.793  14.078 -1.768 0.274  2.299  H93  CAM 24 
CAM H101 1H10 H 0 0 N N N 6.044  8.095  16.103 -1.988 1.725  -1.295 H101 CAM 25 
CAM H102 2H10 H 0 0 N N N 7.692  7.594  16.740 -2.576 0.128  -0.772 H102 CAM 26 
CAM H103 3H10 H 0 0 N N N 7.537  9.165  16.107 -2.365 1.433  0.419  H103 CAM 27 
# 
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 
CAM C1  C2   SING N N 1  
CAM C1  C6   SING N N 2  
CAM C1  C7   SING N N 3  
CAM C1  C10  SING N N 4  
CAM C2  O    DOUB N N 5  
CAM C2  C3   SING N N 6  
CAM C3  C4   SING N N 7  
CAM C3  H31  SING N N 8  
CAM C3  H32  SING N N 9  
CAM C4  C5   SING N N 10 
CAM C4  C7   SING N N 11 
CAM C4  H4   SING N N 12 
CAM C5  C6   SING N N 13 
CAM C5  H51  SING N N 14 
CAM C5  H52  SING N N 15 
CAM C6  H61  SING N N 16 
CAM C6  H62  SING N N 17 
CAM C7  C8   SING N N 18 
CAM C7  C9   SING N N 19 
CAM C8  H81  SING N N 20 
CAM C8  H82  SING N N 21 
CAM C8  H83  SING N N 22 
CAM C9  H91  SING N N 23 
CAM C9  H92  SING N N 24 
CAM C9  H93  SING N N 25 
CAM C10 H101 SING N N 26 
CAM C10 H102 SING N N 27 
CAM C10 H103 SING N N 28 
# 
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 
CAM SMILES           ACDLabs              10.04 O=C1CC2CCC1(C)C2(C)C                                                       
CAM InChI            InChI                1.02b InChI=1/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3/t7-,10+/m1/s1 
CAM InChIKey         InChI                1.02b DSSYKIVIOFKYAU-XCBNKYQSBS                                                  
CAM SMILES_CANONICAL CACTVS               3.341 CC1(C)[C@@H]2CC[C@@]1(C)C(=O)C2                                            
CAM SMILES           CACTVS               3.341 CC1(C)[CH]2CC[C]1(C)C(=O)C2                                                
CAM SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 CC1([C@@H]2CC[C@]1(C(=O)C2)C)C                                             
CAM SMILES           "OpenEye OEToolkits" 1.5.0 CC1(C2CCC1(C(=O)C2)C)C                                                     
# 
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 
CAM "SYSTEMATIC NAME" ACDLabs              10.04 (1R,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one 
CAM "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 (1R,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-6-one 
# 
