data_ZEX
#

_chem_comp.id                                   ZEX
_chem_comp.name                                 "(1R,2S)-4-{(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4S)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl}-2,5,5-trimethylcyclohex-3-en-1-ol"
_chem_comp.type                                 NON-POLYMER
_chem_comp.pdbx_type                            HETAIN
_chem_comp.formula                              "C40 H56 O2"
_chem_comp.mon_nstd_parent_comp_id              ?
_chem_comp.pdbx_synonyms                        ?
_chem_comp.pdbx_formal_charge                   0
_chem_comp.pdbx_initial_date                    2005-09-06
_chem_comp.pdbx_modified_date                   2017-10-30
_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                       568.871
_chem_comp.one_letter_code                      ?
_chem_comp.three_letter_code                    ZEX
_chem_comp.pdbx_model_coordinates_details       ?
_chem_comp.pdbx_model_coordinates_missing_flag  N
_chem_comp.pdbx_ideal_coordinates_details       "not provided"
_chem_comp.pdbx_ideal_coordinates_missing_flag  Y
_chem_comp.pdbx_model_coordinates_db_code       2AVL
_chem_comp.pdbx_subcomponent_list               ?
_chem_comp.pdbx_processing_site                 EBI
#   #
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
ZEX  C6    C6    C  0  1  N  N  N   -6.401  12.007  109.335  ?  ?  ?  C6    ZEX   1  
ZEX  C17   C17   C  0  1  N  N  N   -8.409  12.899  110.538  ?  ?  ?  C17   ZEX   2  
ZEX  C4    C4    C  0  1  N  N  N   -4.581  12.727  111.044  ?  ?  ?  C4    ZEX   3  
ZEX  C3    C3    C  0  1  N  N  S   -5.697  12.586  112.040  ?  ?  ?  C3    ZEX   4  
ZEX  O3    O3    O  0  1  N  N  N   -5.472  12.984  113.348  ?  ?  ?  O3    ZEX   5  
ZEX  C2    C2    C  0  1  N  N  N   -6.722  11.518  111.798  ?  ?  ?  C2    ZEX   6  
ZEX  C1    C1    C  0  1  N  N  N   -7.407  11.730  110.433  ?  ?  ?  C1    ZEX   7  
ZEX  C5    C5    C  0  1  N  N  N   -5.025  12.434  109.638  ?  ?  ?  C5    ZEX   8  
ZEX  C18   C18   C  0  1  N  N  N   -4.037  12.661  108.527  ?  ?  ?  C18   ZEX   9  
ZEX  C16   C16   C  0  1  N  N  N   -8.181  10.436  110.121  ?  ?  ?  C16   ZEX  10  
ZEX  O23   O23   O  0  1  N  N  N  -13.798  18.513   84.027  ?  ?  ?  O23   ZEX  11  
ZEX  C26   C26   C  0  1  N  N  N  -12.720  17.847   88.113  ?  ?  ?  C26   ZEX  12  
ZEX  C7    C7    C  0  1  N  N  N   -6.796  11.850  107.892  ?  ?  ?  C7    ZEX  13  
ZEX  C8    C8    C  0  1  N  N  N   -7.746  12.984  107.480  ?  ?  ?  C8    ZEX  14  
ZEX  C9    C9    C  0  1  N  N  N   -7.558  13.231  106.018  ?  ?  ?  C9    ZEX  15  
ZEX  C19   C19   C  0  1  N  N  N   -6.162  13.595  105.604  ?  ?  ?  C19   ZEX  16  
ZEX  C10   C10   C  0  1  N  N  N   -8.705  13.906  105.330  ?  ?  ?  C10   ZEX  17  
ZEX  C11   C11   C  0  1  N  N  N   -8.442  14.043  103.818  ?  ?  ?  C11   ZEX  18  
ZEX  C12   C12   C  0  1  N  N  N   -9.466  15.052  103.272  ?  ?  ?  C12   ZEX  19  
ZEX  C13   C13   C  0  1  N  N  N   -9.077  15.567  101.917  ?  ?  ?  C13   ZEX  20  
ZEX  C20   C20   C  0  1  N  N  N   -7.631  15.819  101.595  ?  ?  ?  C20   ZEX  21  
ZEX  C14   C14   C  0  1  N  N  N  -10.118  16.347  101.166  ?  ?  ?  C14   ZEX  22  
ZEX  C15   C15   C  0  1  N  N  N  -10.073  15.957   99.678  ?  ?  ?  C15   ZEX  23  
ZEX  C35   C35   C  0  1  N  N  N  -11.152  16.708   98.883  ?  ?  ?  C35   ZEX  24  
ZEX  C34   C34   C  0  1  N  N  N  -11.336  15.989   97.532  ?  ?  ?  C34   ZEX  25  
ZEX  C33   C33   C  0  1  N  N  N  -12.080  16.827   96.531  ?  ?  ?  C33   ZEX  26  
ZEX  C40   C40   C  0  1  N  N  N  -13.248  17.653   97.005  ?  ?  ?  C40   ZEX  27  
ZEX  C32   C32   C  0  1  N  N  N  -12.088  16.346   95.107  ?  ?  ?  C32   ZEX  28  
ZEX  C31   C31   C  0  1  N  N  N  -12.503  17.499   94.174  ?  ?  ?  C31   ZEX  29  
ZEX  C30   C30   C  0  1  N  N  N  -12.413  17.085   92.693  ?  ?  ?  C30   ZEX  30  
ZEX  C29   C29   C  0  1  N  N  N  -13.303  17.956   91.857  ?  ?  ?  C29   ZEX  31  
ZEX  C39   C39   C  0  1  N  N  N  -13.621  19.371   92.266  ?  ?  ?  C39   ZEX  32  
ZEX  C28   C28   C  0  1  N  N  N  -13.592  17.502   90.457  ?  ?  ?  C28   ZEX  33  
ZEX  C27   C27   C  0  1  N  N  N  -12.346  17.601   89.552  ?  ?  ?  C27   ZEX  34  
ZEX  C21   C21   C  0  1  N  N  N  -13.378  19.156   87.718  ?  ?  ?  C21   ZEX  35  
ZEX  C36   C36   C  0  1  N  N  N  -12.333  20.277   87.525  ?  ?  ?  C36   ZEX  36  
ZEX  C37   C37   C  0  1  N  N  N  -14.375  19.644   88.780  ?  ?  ?  C37   ZEX  37  
ZEX  C22   C22   C  0  1  N  N  N  -14.215  18.958   86.436  ?  ?  ?  C22   ZEX  38  
ZEX  C23   C23   C  0  1  N  N  R  -13.462  18.247   85.349  ?  ?  ?  C23   ZEX  39  
ZEX  C24   C24   C  0  1  N  N  S  -12.375  17.316   85.664  ?  ?  ?  C24   ZEX  40  
ZEX  C25   C25   C  0  1  N  N  N  -11.887  17.127   87.078  ?  ?  ?  C25   ZEX  41  
ZEX  C38   C38   C  0  1  N  N  N  -11.691  16.574   84.552  ?  ?  ?  C38   ZEX  42  
ZEX  H171  1H17  H  0  0  N  N  N   -9.330  12.642  109.994  ?  ?  ?  H171  ZEX  43  
ZEX  H172  2H17  H  0  0  N  N  N   -7.964  13.804  110.099  ?  ?  ?  H172  ZEX  44  
ZEX  H173  3H17  H  0  0  N  N  N   -8.647  13.084  111.596  ?  ?  ?  H173  ZEX  45  
ZEX  H41   1H4   H  0  1  N  N  N   -3.800  11.999  111.309  ?  ?  ?  H41   ZEX  46  
ZEX  H42   2H4   H  0  1  N  N  N   -4.207  13.761  111.083  ?  ?  ?  H42   ZEX  47  
ZEX  H3    H3    H  0  1  N  N  N   -6.284  13.461  111.723  ?  ?  ?  H3    ZEX  48  
ZEX  HO3   HO3   H  0  1  N  N  N   -5.421  12.218  113.908  ?  ?  ?  HO3   ZEX  49  
ZEX  H21   1H2   H  0  1  N  N  N   -7.483  11.567  112.591  ?  ?  ?  H21   ZEX  50  
ZEX  H22   2H2   H  0  1  N  N  N   -6.228  10.535  111.805  ?  ?  ?  H22   ZEX  51  
ZEX  H181  1H18  H  0  0  N  N  N   -3.319  11.828  108.500  ?  ?  ?  H181  ZEX  52  
ZEX  H182  2H18  H  0  0  N  N  N   -3.499  13.604  108.702  ?  ?  ?  H182  ZEX  53  
ZEX  H183  3H18  H  0  0  N  N  N   -4.571  12.716  107.567  ?  ?  ?  H183  ZEX  54  
ZEX  H161  1H16  H  0  0  N  N  N   -9.142  10.446  110.657  ?  ?  ?  H161  ZEX  55  
ZEX  H162  2H16  H  0  0  N  N  N   -7.589   9.568  110.445  ?  ?  ?  H162  ZEX  56  
ZEX  H163  3H16  H  0  0  N  N  N   -8.366  10.370  109.039  ?  ?  ?  H163  ZEX  57  
ZEX  H1    H1    H  0  1  N  N  N  -14.743  18.574   83.946  ?  ?  ?  H1    ZEX  58  
ZEX  H7    H7    H  0  1  N  N  N   -6.461  11.056  107.241  ?  ?  ?  H7    ZEX  59  
ZEX  H8    H8    H  0  1  N  N  N   -8.429  13.510  108.131  ?  ?  ?  H8    ZEX  60  
ZEX  H191  1H19  H  0  0  N  N  N   -5.465  12.812  105.938  ?  ?  ?  H191  ZEX  61  
ZEX  H192  2H19  H  0  0  N  N  N   -5.883  14.555  106.062  ?  ?  ?  H192  ZEX  62  
ZEX  H193  3H19  H  0  0  N  N  N   -6.115  13.684  104.509  ?  ?  ?  H193  ZEX  63  
ZEX  H10   H10   H  0  1  N  N  N   -9.599  14.251  105.828  ?  ?  ?  H10   ZEX  64  
ZEX  H11   H11   H  0  1  N  N  N   -7.682  13.528  103.249  ?  ?  ?  H11   ZEX  65  
ZEX  H12   H12   H  0  1  N  N  N  -10.358  15.354  103.800  ?  ?  ?  H12   ZEX  66  
ZEX  H201  1H20  H  0  0  N  N  N   -7.019  14.995  101.990  ?  ?  ?  H201  ZEX  67  
ZEX  H202  2H20  H  0  0  N  N  N   -7.313  16.766  102.055  ?  ?  ?  H202  ZEX  68  
ZEX  H203  3H20  H  0  0  N  N  N   -7.503  15.881  100.504  ?  ?  ?  H203  ZEX  69  
ZEX  H14   H14   H  0  1  N  N  N  -10.793  17.069  101.602  ?  ?  ?  H14   ZEX  70  
ZEX  H15   H15   H  0  1  N  N  N   -9.377  15.251   99.250  ?  ?  ?  H15   ZEX  71  
ZEX  H35   H35   H  0  1  N  N  N  -11.688  17.586   99.213  ?  ?  ?  H35   ZEX  72  
ZEX  H34   H34   H  0  1  N  N  N  -10.971  14.993   97.328  ?  ?  ?  H34   ZEX  73  
ZEX  H401  1H40  H  0  0  N  N  N  -14.183  17.102   96.825  ?  ?  ?  H401  ZEX  74  
ZEX  H402  2H40  H  0  0  N  N  N  -13.271  18.605   96.455  ?  ?  ?  H402  ZEX  75  
ZEX  H403  3H40  H  0  0  N  N  N  -13.143  17.854   98.081  ?  ?  ?  H403  ZEX  76  
ZEX  H32   H32   H  0  1  N  N  N  -11.841  15.345   94.787  ?  ?  ?  H32   ZEX  77  
ZEX  H31   H31   H  0  1  N  N  N  -12.817  18.474   94.515  ?  ?  ?  H31   ZEX  78  
ZEX  H30   H30   H  0  1  N  N  N  -11.798  16.283   92.312  ?  ?  ?  H30   ZEX  79  
ZEX  H391  1H39  H  0  0  N  N  N  -14.576  19.677   91.815  ?  ?  ?  H391  ZEX  80  
ZEX  H392  2H39  H  0  0  N  N  N  -12.820  20.041   91.920  ?  ?  ?  H392  ZEX  81  
ZEX  H393  3H39  H  0  0  N  N  N  -13.698  19.428   93.362  ?  ?  ?  H393  ZEX  82  
ZEX  H28   H28   H  0  1  N  N  N  -14.556  17.148   90.123  ?  ?  ?  H28   ZEX  83  
ZEX  H27   H27   H  0  1  N  N  N  -11.330  17.506   89.906  ?  ?  ?  H27   ZEX  84  
ZEX  H361  1H36  H  0  0  N  N  N  -12.747  21.054   86.865  ?  ?  ?  H361  ZEX  85  
ZEX  H362  2H36  H  0  0  N  N  N  -11.424  19.856   87.071  ?  ?  ?  H362  ZEX  86  
ZEX  H363  3H36  H  0  0  N  N  N  -12.085  20.719   88.501  ?  ?  ?  H363  ZEX  87  
ZEX  H371  1H37  H  0  0  N  N  N  -15.186  18.909   88.887  ?  ?  ?  H371  ZEX  88  
ZEX  H372  2H37  H  0  0  N  N  N  -14.796  20.612   88.470  ?  ?  ?  H372  ZEX  89  
ZEX  H373  3H37  H  0  0  N  N  N  -13.857  19.761   89.744  ?  ?  ?  H373  ZEX  90  
ZEX  H221  1H22  H  0  0  N  N  N  -14.481  19.956   86.057  ?  ?  ?  H221  ZEX  91  
ZEX  H222  2H22  H  0  0  N  N  N  -15.102  18.359   86.691  ?  ?  ?  H222  ZEX  92  
ZEX  H23   H23   H  0  1  N  N  N  -13.408  17.232   85.770  ?  ?  ?  H23   ZEX  93  
ZEX  H24   H24   H  0  1  N  N  N  -13.304  16.923   86.102  ?  ?  ?  H24   ZEX  94  
ZEX  H25   H25   H  0  1  N  N  N  -11.021  16.532   87.328  ?  ?  ?  H25   ZEX  95  
ZEX  H381  1H38  H  0  0  N  N  N  -12.324  15.735   84.228  ?  ?  ?  H381  ZEX  96  
ZEX  H382  2H38  H  0  0  N  N  N  -10.724  16.189   84.909  ?  ?  ?  H382  ZEX  97  
ZEX  H383  3H38  H  0  0  N  N  N  -11.524  17.255   83.705  ?  ?  ?  H383  ZEX  98  
#   #
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
ZEX  C6   C1    SING  N  N   1  
ZEX  C6   C5    DOUB  N  N   2  
ZEX  C6   C7    SING  N  N   3  
ZEX  C17  C1    SING  N  N   4  
ZEX  C17  H171  SING  N  N   5  
ZEX  C17  H172  SING  N  N   6  
ZEX  C17  H173  SING  N  N   7  
ZEX  C4   C3    SING  N  N   8  
ZEX  C4   C5    SING  N  N   9  
ZEX  C4   H41   SING  N  N  10  
ZEX  C4   H42   SING  N  N  11  
ZEX  C3   O3    SING  N  N  12  
ZEX  C3   C2    SING  N  N  13  
ZEX  C3   H3    SING  N  N  14  
ZEX  O3   HO3   SING  N  N  15  
ZEX  C2   C1    SING  N  N  16  
ZEX  C2   H21   SING  N  N  17  
ZEX  C2   H22   SING  N  N  18  
ZEX  C1   C16   SING  N  N  19  
ZEX  C5   C18   SING  N  N  20  
ZEX  C18  H181  SING  N  N  21  
ZEX  C18  H182  SING  N  N  22  
ZEX  C18  H183  SING  N  N  23  
ZEX  C16  H161  SING  N  N  24  
ZEX  C16  H162  SING  N  N  25  
ZEX  C16  H163  SING  N  N  26  
ZEX  O23  C23   SING  N  N  27  
ZEX  O23  H1    SING  N  N  28  
ZEX  C26  C27   SING  N  N  29  
ZEX  C26  C21   SING  N  N  30  
ZEX  C26  C25   DOUB  N  N  31  
ZEX  C7   C8    DOUB  N  E  32  
ZEX  C7   H7    SING  N  N  33  
ZEX  C8   C9    SING  N  N  34  
ZEX  C8   H8    SING  N  N  35  
ZEX  C9   C19   SING  N  N  36  
ZEX  C9   C10   DOUB  N  E  37  
ZEX  C19  H191  SING  N  N  38  
ZEX  C19  H192  SING  N  N  39  
ZEX  C19  H193  SING  N  N  40  
ZEX  C10  C11   SING  N  N  41  
ZEX  C10  H10   SING  N  N  42  
ZEX  C11  C12   DOUB  N  E  43  
ZEX  C11  H11   SING  N  N  44  
ZEX  C12  C13   SING  N  N  45  
ZEX  C12  H12   SING  N  N  46  
ZEX  C13  C20   SING  N  N  47  
ZEX  C13  C14   DOUB  N  E  48  
ZEX  C20  H201  SING  N  N  49  
ZEX  C20  H202  SING  N  N  50  
ZEX  C20  H203  SING  N  N  51  
ZEX  C14  C15   SING  N  N  52  
ZEX  C14  H14   SING  N  N  53  
ZEX  C15  C35   DOUB  N  E  54  
ZEX  C15  H15   SING  N  N  55  
ZEX  C35  C34   SING  N  N  56  
ZEX  C35  H35   SING  N  N  57  
ZEX  C34  C33   DOUB  N  E  58  
ZEX  C34  H34   SING  N  N  59  
ZEX  C33  C40   SING  N  N  60  
ZEX  C33  C32   SING  N  N  61  
ZEX  C40  H401  SING  N  N  62  
ZEX  C40  H402  SING  N  N  63  
ZEX  C40  H403  SING  N  N  64  
ZEX  C32  C31   DOUB  N  E  65  
ZEX  C32  H32   SING  N  N  66  
ZEX  C31  C30   SING  N  N  67  
ZEX  C31  H31   SING  N  N  68  
ZEX  C30  C29   DOUB  N  E  69  
ZEX  C30  H30   SING  N  N  70  
ZEX  C29  C39   SING  N  N  71  
ZEX  C29  C28   SING  N  N  72  
ZEX  C39  H391  SING  N  N  73  
ZEX  C39  H392  SING  N  N  74  
ZEX  C39  H393  SING  N  N  75  
ZEX  C28  C27   DOUB  N  E  76  
ZEX  C28  H28   SING  N  N  77  
ZEX  C27  H27   SING  N  N  78  
ZEX  C21  C36   SING  N  N  79  
ZEX  C21  C37   SING  N  N  80  
ZEX  C21  C22   SING  N  N  81  
ZEX  C36  H361  SING  N  N  82  
ZEX  C36  H362  SING  N  N  83  
ZEX  C36  H363  SING  N  N  84  
ZEX  C37  H371  SING  N  N  85  
ZEX  C37  H372  SING  N  N  86  
ZEX  C37  H373  SING  N  N  87  
ZEX  C22  C23   SING  N  N  88  
ZEX  C22  H221  SING  N  N  89  
ZEX  C22  H222  SING  N  N  90  
ZEX  C23  C24   SING  N  N  91  
ZEX  C23  H23   SING  N  N  92  
ZEX  C24  C25   SING  N  N  93  
ZEX  C24  C38   SING  N  N  94  
ZEX  C24  H24   SING  N  N  95  
ZEX  C25  H25   SING  N  N  96  
ZEX  C38  H381  SING  N  N  97  
ZEX  C38  H382  SING  N  N  98  
ZEX  C38  H383  SING  N  N  99  
#   #
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
ZEX  SMILES            ACDLabs               10.04  "OC2CC(=C(\C=C\C(=C\C=C\C(=C\C=C\C=C(\C=C\C=C(\C=C\C1=CC(C)C(O)CC1(C)C)C)C)C)C)C(C)(C)C2)C"  
ZEX  SMILES_CANONICAL  CACTVS                3.341  "C[C@H]1C=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C[C@H](O)CC2(C)C)C(C)(C)C[C@H]1O"  
ZEX  SMILES            CACTVS                3.341  "C[CH]1C=C(C=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC2=C(C)C[CH](O)CC2(C)C)C(C)(C)C[CH]1O"  
ZEX  SMILES_CANONICAL  "OpenEye OEToolkits"  1.5.0  "CC1C=C(C(CC1O)(C)C)C=CC(=C\C=C\C(=CC=CC=C(C)C=C\C=C(/C)\C=CC2=C(C[C@@H](CC2(C)C)O)C)C)C"  
ZEX  SMILES            "OpenEye OEToolkits"  1.5.0  "CC1C=C(C(CC1O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(CC(CC2(C)C)O)C)C)C"  
ZEX  InChI             InChI                 1.03   "InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-35-25-34(6)38(42)28-39(35,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-37-33(5)26-36(41)27-40(37,9)10/h11-25,34,36,38,41-42H,26-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t34-,36-,38+/m0/s1"  
ZEX  InChIKey          InChI                 1.03   YRMDXLDAZBQLBK-WIHRHFSMSA-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
ZEX  "SYSTEMATIC NAME"  ACDLabs               10.04  "(1R,2S)-4-{(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4S)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl}-2,5,5-trimethylcyclohex-3-en-1-ol"  
ZEX  "SYSTEMATIC NAME"  "OpenEye OEToolkits"  1.5.0  "(1S)-4-[(3E,13E)-18-(4-hydroxy-3,6,6-trimethyl-1-cyclohexenyl)-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethyl-cyclohex-3-en-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
ZEX  "Create component"    2005-09-06  EBI   
ZEX  "Modify descriptor"   2011-06-04  RCSB  
ZEX  "Other modification"  2017-10-30  EBI   
##
