data_PH1
# 
_chem_comp.id                                    PH1 
_chem_comp.name                                  1,2-[DI-2,6,10,14-TETRAMETHYL-HEXADECAN-16-OXY]-PROPANE 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C43 H88 O2" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         "PHYTANYL MOIETY" 
_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                        637.158 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     PH1 
_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        1QHJ 
_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 
PH1 O1   O1   O 0 1 N N N 0.937  62.223 -7.394  -4.679 -0.162 1.226   O1   PH1 1   
PH1 C1   C1   C 0 1 N N N -0.120 62.101 -6.674  -4.661 0.137  2.623   C1   PH1 2   
PH1 C2   C2   C 0 1 N N N -0.083 61.552 -5.230  -3.281 -0.189 3.197   C2   PH1 3   
PH1 C3   C3   C 0 1 N N S 0.614  62.418 -4.212  -3.262 0.131  4.693   C3   PH1 4   
PH1 C4   C4   C 0 1 N N N 0.146  63.896 -4.182  -4.324 -0.705 5.408   C4   PH1 5   
PH1 C5   C5   C 0 1 N N N 0.694  61.783 -2.837  -1.882 -0.195 5.267   C5   PH1 6   
PH1 C6   C6   C 0 1 N N N 1.722  62.450 -1.897  -1.863 0.125  6.763   C6   PH1 7   
PH1 C7   C7   C 0 1 N N N 1.154  63.009 -0.577  -0.483 -0.201 7.337   C7   PH1 8   
PH1 C8   C8   C 0 1 N N S 1.358  62.140 0.676   -0.464 0.119  8.833   C8   PH1 9   
PH1 C9   C9   C 0 1 N N N 1.653  60.647 0.416   -1.526 -0.717 9.548   C9   PH1 10  
PH1 C10  C10  C 0 1 N N N 2.183  62.814 1.776   0.915  -0.207 9.407   C10  PH1 11  
PH1 C11  C11  C 0 1 N N N 2.379  62.007 3.050   0.935  0.113  10.902  C11  PH1 12  
PH1 C12  C12  C 0 1 N N N 3.859  61.754 3.364   2.314  -0.213 11.477  C12  PH1 13  
PH1 C13  C13  C 0 1 N N S 4.468  60.499 2.706   2.334  0.107  12.972  C13  PH1 14  
PH1 C14  C14  C 0 1 N N N 5.973  60.523 2.595   1.272  -0.730 13.688  C14  PH1 15  
PH1 C15  C15  C 0 1 N N N 3.949  59.209 3.253   3.714  -0.220 13.547  C15  PH1 16  
PH1 C16  C16  C 0 1 N N N 4.451  58.861 4.652   3.733  0.101  15.042  C16  PH1 17  
PH1 C17  C17  C 0 1 N N N 3.667  57.748 5.272   5.113  -0.226 15.617  C17  PH1 18  
PH1 C18  C18  C 0 1 N N N 4.384  56.435 5.411   5.132  0.095  17.112  C18  PH1 19  
PH1 C19  C19  C 0 1 N N N 3.438  55.339 5.743   6.512  -0.232 17.686  C19  PH1 20  
PH1 C20  C20  C 0 1 N N N 5.295  56.063 4.252   4.834  1.581  17.318  C20  PH1 21  
PH1 O31  O31  O 0 1 N N N 0.447  62.699 -11.003 -5.105 0.646  -1.446  O31  PH1 22  
PH1 C31  C31  C 0 1 N N N 1.490  63.054 -11.717 -4.722 -0.105 -2.600  C31  PH1 23  
PH1 C32  C32  C 0 1 N N N 1.997  62.242 -12.930 -3.679 0.680  -3.398  C32  PH1 24  
PH1 C33  C33  C 0 1 N N S 2.694  60.920 -12.584 -3.269 -0.123 -4.633  C33  PH1 25  
PH1 C34  C34  C 0 1 N N N 2.728  59.935 -13.766 -4.498 -0.375 -5.509  C34  PH1 26  
PH1 C35  C35  C 0 1 N N N 4.046  61.066 -11.838 -2.227 0.662  -5.431  C35  PH1 27  
PH1 C36  C36  C 0 1 N N N 4.357  59.959 -10.808 -1.817 -0.142 -6.666  C36  PH1 28  
PH1 C37  C37  C 0 1 N N N 4.377  60.462 -9.338  -0.775 0.643  -7.463  C37  PH1 29  
PH1 C38  C38  C 0 1 N N S 4.510  59.399 -8.240  -0.365 -0.160 -8.699  C38  PH1 30  
PH1 C39  C39  C 0 1 N N N 5.730  58.483 -8.426  -1.594 -0.412 -9.574  C39  PH1 31  
PH1 C40  C40  C 0 1 N N N 4.411  59.993 -6.817  0.677  0.625  -9.496  C40  PH1 32  
PH1 C41  C41  C 0 1 N N N 4.238  58.983 -5.689  1.087  -0.179 -10.731 C41  PH1 33  
PH1 C42  C42  C 0 1 N N N 5.098  59.258 -4.439  2.129  0.607  -11.529 C42  PH1 34  
PH1 C43  C43  C 0 1 N N S 4.337  59.527 -3.120  2.539  -0.197 -12.764 C43  PH1 35  
PH1 C44  C44  C 0 1 N N N 3.138  58.630 -2.887  1.310  -0.449 -13.640 C44  PH1 36  
PH1 C45  C45  C 0 1 N N N 5.241  59.658 -1.859  3.582  0.588  -13.562 C45  PH1 37  
PH1 C46  C46  C 0 1 N N N 6.416  58.655 -1.756  3.992  -0.215 -14.797 C46  PH1 38  
PH1 C47  C47  C 0 1 N N N 6.762  58.198 -0.314  5.034  0.570  -15.595 C47  PH1 39  
PH1 C48  C48  C 0 1 N N N 8.260  58.157 0.068   5.444  -0.234 -16.830 C48  PH1 40  
PH1 C49  C49  C 0 1 N N N 8.517  57.721 1.513   6.486  0.551  -17.628 C49  PH1 41  
PH1 C50  C50  C 0 1 N N N 9.143  57.421 -0.919  6.041  -1.573 -16.392 C50  PH1 42  
PH1 C51  C51  C 0 1 N N N 0.950  62.026 -8.678  -5.987 0.163  0.750   C51  PH1 43  
PH1 C52  C52  C 0 1 N N R 0.354  63.014 -9.749  -6.074 -0.136 -0.747  C52  PH1 44  
PH1 C53  C53  C 0 1 N N N 0.466  64.507 -9.359  -7.474 0.211  -1.256  C53  PH1 45  
PH1 H11  1H1  H 0 1 N N N -0.622 63.095 -6.643  -5.418 -0.458 3.132   H11  PH1 46  
PH1 H12  2H1  H 0 1 N N N -0.850 61.485 -7.249  -4.874 1.196  2.770   H12  PH1 47  
PH1 H21  1H2  H 0 1 N N N -1.118 61.321 -4.885  -2.525 0.407  2.687   H21  PH1 48  
PH1 H22  2H2  H 0 1 N N N 0.361  60.529 -5.225  -3.069 -1.248 3.050   H22  PH1 49  
PH1 H3   H3   H 0 1 N N N 1.664  62.477 -4.581  -3.475 1.190  4.840   H3   PH1 50  
PH1 H41  1H4  H 0 1 N N N 0.661  64.536 -3.429  -4.111 -1.764 5.261   H41  PH1 51  
PH1 H42  2H4  H 0 1 N N N 0.232  64.348 -5.197  -4.310 -0.476 6.474   H42  PH1 52  
PH1 H43A 3H4  H 0 0 N N N -0.958 63.947 -4.040  -5.307 -0.472 4.999   H43A PH1 53  
PH1 H51  1H5  H 0 1 N N N -0.313 61.754 -2.359  -1.126 0.400  4.757   H51  PH1 54  
PH1 H52A 2H5  H 0 0 N N N 0.892  60.689 -2.921  -1.670 -1.254 5.120   H52A PH1 55  
PH1 H61  1H6  H 0 1 N N N 2.557  61.743 -1.683  -2.619 -0.471 7.272   H61  PH1 56  
PH1 H62  2H6  H 0 1 N N N 2.274  63.250 -2.443  -2.076 1.184  6.909   H62  PH1 57  
PH1 H71  1H7  H 0 1 N N N 1.560  64.031 -0.395  0.273  0.394  6.827   H71  PH1 58  
PH1 H72  2H7  H 0 1 N N N 0.070  63.240 -0.701  -0.270 -1.260 7.190   H72  PH1 59  
PH1 H8   H8   H 0 1 N N N 0.340  62.075 1.126   -0.676 1.178  8.979   H8   PH1 60  
PH1 H91  1H9  H 0 1 N N N 1.800  60.017 1.324   -1.313 -1.776 9.401   H91  PH1 61  
PH1 H92  2H9  H 0 1 N N N 0.853  60.207 -0.225  -1.512 -0.488 10.613  H92  PH1 62  
PH1 H93  3H9  H 0 1 N N N 2.531  60.545 -0.263  -2.509 -0.484 9.139   H93  PH1 63  
PH1 H101 1H10 H 0 0 N N N 3.173  63.126 1.369   1.672  0.388  8.897   H101 PH1 64  
PH1 H102 2H10 H 0 0 N N N 1.744  63.809 2.021   1.128  -1.266 9.260   H102 PH1 65  
PH1 H111 1H11 H 0 0 N N N 1.862  62.488 3.913   0.178  -0.483 11.412  H111 PH1 66  
PH1 H112 2H11 H 0 0 N N N 1.808  61.050 3.010   0.722  1.172  11.049  H112 PH1 67  
PH1 H121 1H12 H 0 0 N N N 4.464  62.653 3.105   3.071  0.382  10.967  H121 PH1 68  
PH1 H122 2H12 H 0 0 N N N 4.016  61.722 4.467   2.527  -1.272 11.330  H122 PH1 69  
PH1 H13  H13  H 0 1 N N N 4.095  60.548 1.656   2.121  1.166  13.119  H13  PH1 70  
PH1 H141 1H14 H 0 0 N N N 6.413  59.615 2.119   1.485  -1.788 13.541  H141 PH1 71  
PH1 H142 2H14 H 0 0 N N N 6.309  61.443 2.063   1.286  -0.501 14.753  H142 PH1 72  
PH1 H143 3H14 H 0 0 N N N 6.434  60.701 3.594   0.289  -0.496 13.279  H143 PH1 73  
PH1 H151 1H15 H 0 0 N N N 2.834  59.199 3.228   4.470  0.376  13.037  H151 PH1 74  
PH1 H152 2H15 H 0 0 N N N 4.164  58.374 2.545   3.926  -1.278 13.400  H152 PH1 75  
PH1 H161 1H16 H 0 0 N N N 5.541  58.630 4.643   2.976  -0.495 15.552  H161 PH1 76  
PH1 H162 2H16 H 0 0 N N N 4.465  59.760 5.310   3.520  1.160  15.189  H162 PH1 77  
PH1 H171 1H17 H 0 0 N N N 3.271  58.070 6.263   5.869  0.370  15.107  H171 PH1 78  
PH1 H172 2H17 H 0 0 N N N 2.712  57.600 4.714   5.326  -1.285 15.470  H172 PH1 79  
PH1 H18  H18  H 0 1 N N N 5.082  56.582 6.267   4.376  -0.501 17.622  H18  PH1 80  
PH1 H191 1H19 H 0 0 N N N 3.970  54.364 5.846   6.526  -0.003 18.752  H191 PH1 81  
PH1 H192 2H19 H 0 0 N N N 2.838  55.576 6.652   6.725  -1.291 17.540  H192 PH1 82  
PH1 H193 3H19 H 0 0 N N N 2.607  55.276 5.002   7.269  0.364  17.177  H193 PH1 83  
PH1 H201 1H20 H 0 0 N N N 5.827  55.088 4.355   5.590  2.178  16.809  H201 PH1 84  
PH1 H202 2H20 H 0 0 N N N 4.724  56.087 3.294   3.851  1.815  16.909  H202 PH1 85  
PH1 H203 3H20 H 0 0 N N N 6.028  56.881 4.064   4.847  1.810  18.384  H203 PH1 86  
PH1 H311 1H31 H 0 0 N N N 1.315  64.098 -12.064 -4.297 -1.059 -2.288  H311 PH1 87  
PH1 H312 2H31 H 0 0 N N N 2.348  63.175 -11.015 -5.597 -0.284 -3.224  H312 PH1 88  
PH1 H321 1H32 H 0 0 N N N 1.162  62.059 -13.646 -4.104 1.634  -3.710  H321 PH1 89  
PH1 H322 2H32 H 0 0 N N N 2.663  62.873 -13.563 -2.804 0.860  -2.774  H322 PH1 90  
PH1 H33  H33  H 0 1 N N N 2.036  60.447 -11.817 -2.844 -1.077 -4.320  H33  PH1 91  
PH1 H341 1H34 H 0 0 N N N 3.234  58.974 -13.514 -4.923 0.578  -5.821  H341 PH1 92  
PH1 H342 2H34 H 0 0 N N N 1.702  59.753 -14.163 -4.206 -0.948 -6.388  H342 PH1 93  
PH1 H343 3H34 H 0 0 N N N 3.189  60.406 -14.664 -5.241 -0.935 -4.940  H343 PH1 94  
PH1 H351 1H35 H 0 0 N N N 4.880  61.150 -12.572 -2.652 1.616  -5.743  H351 PH1 95  
PH1 H352 2H35 H 0 0 N N N 4.108  62.068 -11.352 -1.351 0.841  -4.807  H352 PH1 96  
PH1 H361 1H36 H 0 0 N N N 3.649  59.105 -10.922 -1.392 -1.096 -6.353  H361 PH1 97  
PH1 H362 2H36 H 0 0 N N N 5.313  59.443 -11.060 -2.692 -0.321 -7.290  H362 PH1 98  
PH1 H371 1H37 H 0 0 N N N 5.181  61.224 -9.216  -1.200 1.597  -7.776  H371 PH1 99  
PH1 H372 2H37 H 0 0 N N N 3.472  61.084 -9.145  0.100  0.823  -6.839  H372 PH1 100 
PH1 H38  H38  H 0 1 N N N 3.622  58.734 -8.356  0.060  -1.114 -8.386  H38  PH1 101 
PH1 H391 1H39 H 0 0 N N N 5.826  57.710 -7.627  -2.019 0.541  -9.887  H391 PH1 102 
PH1 H392 2H39 H 0 0 N N N 5.720  58.010 -9.435  -1.301 -0.985 -10.454 H392 PH1 103 
PH1 H393 3H39 H 0 0 N N N 6.666  59.082 -8.512  -2.336 -0.972 -9.006  H393 PH1 104 
PH1 H401 1H40 H 0 0 N N N 5.294  60.642 -6.613  0.252  1.579  -9.809  H401 PH1 105 
PH1 H402 2H40 H 0 0 N N N 3.594  60.750 -6.777  1.553  0.804  -8.872  H402 PH1 106 
PH1 H411 1H41 H 0 0 N N N 3.162  58.898 -5.407  1.512  -1.132 -10.419 H411 PH1 107 
PH1 H412 2H41 H 0 0 N N N 4.421  57.949 -6.064  0.211  -0.358 -11.355 H412 PH1 108 
PH1 H421 1H42 H 0 0 N N N 5.820  58.422 -4.290  1.704  1.560  -11.842 H421 PH1 109 
PH1 H422 2H42 H 0 0 N N N 5.799  60.099 -4.644  3.005  0.786  -10.905 H422 PH1 110 
PH1 H43  H43  H 0 1 N N N 3.916  60.546 -3.285  2.964  -1.151 -12.452 H43  PH1 111 
PH1 H441 1H44 H 0 0 N N N 2.589  58.824 -1.935  0.885  0.504  -13.952 H441 PH1 112 
PH1 H442 2H44 H 0 0 N N N 2.439  58.684 -3.754  1.602  -1.022 -14.520 H442 PH1 113 
PH1 H443 3H44 H 0 0 N N N 3.438  57.558 -2.948  0.568  -1.009 -13.072 H443 PH1 114 
PH1 H451 1H45 H 0 0 N N N 5.626  60.701 -1.777  3.157  1.542  -13.874 H451 PH1 115 
PH1 H452 2H45 H 0 0 N N N 4.615  59.602 -0.938  4.457  0.767  -12.938 H452 PH1 116 
PH1 H461 1H46 H 0 0 N N N 6.224  57.769 -2.405  4.417  -1.169 -14.485 H461 PH1 117 
PH1 H462 2H46 H 0 0 N N N 7.321  59.070 -2.256  3.116  -0.395 -15.421 H462 PH1 118 
PH1 H471 1H47 H 0 0 N N N 6.208  58.829 0.419   4.609  1.524  -15.907 H471 PH1 119 
PH1 H472 2H47 H 0 0 N N N 6.300  57.201 -0.118  5.910  0.749  -14.971 H472 PH1 120 
PH1 H48  H48  H 0 1 N N N 8.573  59.225 0.002   4.569  -0.413 -17.454 H48  PH1 121 
PH1 H491 1H49 H 0 0 N N N 9.597  57.691 1.788   6.779  -0.021 -18.508 H491 PH1 122 
PH1 H492 2H49 H 0 0 N N N 7.947  58.363 2.224   6.061  1.505  -17.940 H492 PH1 123 
PH1 H493 3H49 H 0 0 N N N 8.032  56.738 1.719   7.362  0.731  -17.004 H493 PH1 124 
PH1 H501 1H50 H 0 0 N N N 10.223 57.391 -0.643  6.916  -1.393 -15.768 H501 PH1 125 
PH1 H502 2H50 H 0 0 N N N 8.757  56.388 -1.088  5.298  -2.133 -15.823 H502 PH1 126 
PH1 H503 3H50 H 0 0 N N N 9.015  57.843 -1.942  6.333  -2.146 -17.272 H503 PH1 127 
PH1 H511 1H51 H 0 0 N N N 2.012  61.845 -8.964  -6.727 -0.433 1.284   H511 PH1 128 
PH1 H512 2H51 H 0 0 N N N 0.472  61.034 -8.855  -6.183 1.221  0.921   H512 PH1 129 
PH1 H52  H52  H 0 1 N N N -0.740 62.816 -9.675  -5.878 -1.195 -0.918  H52  PH1 130 
PH1 H531 1H53 H 0 0 N N N 0.386  64.777 -8.280  -7.670 1.270  -1.085  H531 PH1 131 
PH1 H532 2H53 H 0 0 N N N 1.417  64.919 -9.768  -7.536 -0.001 -2.323  H532 PH1 132 
PH1 H533 3H53 H 0 0 N N N -0.286 65.091 -9.937  -8.214 -0.385 -0.722  H533 PH1 133 
# 
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 
PH1 O1  C1   SING N N 1   
PH1 O1  C51  SING N N 2   
PH1 C1  C2   SING N N 3   
PH1 C1  H11  SING N N 4   
PH1 C1  H12  SING N N 5   
PH1 C2  C3   SING N N 6   
PH1 C2  H21  SING N N 7   
PH1 C2  H22  SING N N 8   
PH1 C3  C4   SING N N 9   
PH1 C3  C5   SING N N 10  
PH1 C3  H3   SING N N 11  
PH1 C4  H41  SING N N 12  
PH1 C4  H42  SING N N 13  
PH1 C4  H43A SING N N 14  
PH1 C5  C6   SING N N 15  
PH1 C5  H51  SING N N 16  
PH1 C5  H52A SING N N 17  
PH1 C6  C7   SING N N 18  
PH1 C6  H61  SING N N 19  
PH1 C6  H62  SING N N 20  
PH1 C7  C8   SING N N 21  
PH1 C7  H71  SING N N 22  
PH1 C7  H72  SING N N 23  
PH1 C8  C9   SING N N 24  
PH1 C8  C10  SING N N 25  
PH1 C8  H8   SING N N 26  
PH1 C9  H91  SING N N 27  
PH1 C9  H92  SING N N 28  
PH1 C9  H93  SING N N 29  
PH1 C10 C11  SING N N 30  
PH1 C10 H101 SING N N 31  
PH1 C10 H102 SING N N 32  
PH1 C11 C12  SING N N 33  
PH1 C11 H111 SING N N 34  
PH1 C11 H112 SING N N 35  
PH1 C12 C13  SING N N 36  
PH1 C12 H121 SING N N 37  
PH1 C12 H122 SING N N 38  
PH1 C13 C14  SING N N 39  
PH1 C13 C15  SING N N 40  
PH1 C13 H13  SING N N 41  
PH1 C14 H141 SING N N 42  
PH1 C14 H142 SING N N 43  
PH1 C14 H143 SING N N 44  
PH1 C15 C16  SING N N 45  
PH1 C15 H151 SING N N 46  
PH1 C15 H152 SING N N 47  
PH1 C16 C17  SING N N 48  
PH1 C16 H161 SING N N 49  
PH1 C16 H162 SING N N 50  
PH1 C17 C18  SING N N 51  
PH1 C17 H171 SING N N 52  
PH1 C17 H172 SING N N 53  
PH1 C18 C19  SING N N 54  
PH1 C18 C20  SING N N 55  
PH1 C18 H18  SING N N 56  
PH1 C19 H191 SING N N 57  
PH1 C19 H192 SING N N 58  
PH1 C19 H193 SING N N 59  
PH1 C20 H201 SING N N 60  
PH1 C20 H202 SING N N 61  
PH1 C20 H203 SING N N 62  
PH1 O31 C31  SING N N 63  
PH1 O31 C52  SING N N 64  
PH1 C31 C32  SING N N 65  
PH1 C31 H311 SING N N 66  
PH1 C31 H312 SING N N 67  
PH1 C32 C33  SING N N 68  
PH1 C32 H321 SING N N 69  
PH1 C32 H322 SING N N 70  
PH1 C33 C34  SING N N 71  
PH1 C33 C35  SING N N 72  
PH1 C33 H33  SING N N 73  
PH1 C34 H341 SING N N 74  
PH1 C34 H342 SING N N 75  
PH1 C34 H343 SING N N 76  
PH1 C35 C36  SING N N 77  
PH1 C35 H351 SING N N 78  
PH1 C35 H352 SING N N 79  
PH1 C36 C37  SING N N 80  
PH1 C36 H361 SING N N 81  
PH1 C36 H362 SING N N 82  
PH1 C37 C38  SING N N 83  
PH1 C37 H371 SING N N 84  
PH1 C37 H372 SING N N 85  
PH1 C38 C39  SING N N 86  
PH1 C38 C40  SING N N 87  
PH1 C38 H38  SING N N 88  
PH1 C39 H391 SING N N 89  
PH1 C39 H392 SING N N 90  
PH1 C39 H393 SING N N 91  
PH1 C40 C41  SING N N 92  
PH1 C40 H401 SING N N 93  
PH1 C40 H402 SING N N 94  
PH1 C41 C42  SING N N 95  
PH1 C41 H411 SING N N 96  
PH1 C41 H412 SING N N 97  
PH1 C42 C43  SING N N 98  
PH1 C42 H421 SING N N 99  
PH1 C42 H422 SING N N 100 
PH1 C43 C44  SING N N 101 
PH1 C43 C45  SING N N 102 
PH1 C43 H43  SING N N 103 
PH1 C44 H441 SING N N 104 
PH1 C44 H442 SING N N 105 
PH1 C44 H443 SING N N 106 
PH1 C45 C46  SING N N 107 
PH1 C45 H451 SING N N 108 
PH1 C45 H452 SING N N 109 
PH1 C46 C47  SING N N 110 
PH1 C46 H461 SING N N 111 
PH1 C46 H462 SING N N 112 
PH1 C47 C48  SING N N 113 
PH1 C47 H471 SING N N 114 
PH1 C47 H472 SING N N 115 
PH1 C48 C49  SING N N 116 
PH1 C48 C50  SING N N 117 
PH1 C48 H48  SING N N 118 
PH1 C49 H491 SING N N 119 
PH1 C49 H492 SING N N 120 
PH1 C49 H493 SING N N 121 
PH1 C50 H501 SING N N 122 
PH1 C50 H502 SING N N 123 
PH1 C50 H503 SING N N 124 
PH1 C51 C52  SING N N 125 
PH1 C51 H511 SING N N 126 
PH1 C51 H512 SING N N 127 
PH1 C52 C53  SING N N 128 
PH1 C52 H52  SING N N 129 
PH1 C53 H531 SING N N 130 
PH1 C53 H532 SING N N 131 
PH1 C53 H533 SING N N 132 
# 
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 
PH1 SMILES           ACDLabs              10.04 O(CCC(C)CCCC(C)CCCC(C)CCCC(C)C)CC(OCCC(CCCC(CCCC(C)CCCC(C)C)C)C)C                                                                                                                                         
PH1 InChI            InChI                1.02b InChI=1/C43H88O2/c1-35(2)18-12-20-37(5)22-14-24-39(7)26-16-28-41(9)30-32-44-34-43(11)45-33-31-42(10)29-17-27-40(8)25-15-23-38(6)21-13-19-36(3)4/h35-43H,12-34H2,1-11H3/t37-,38-,39-,40-,41-,42-,43+/m0/s1 
PH1 InChIKey         InChI                1.02b ICKFQWWHLUUVMF-FYYCEQFTBU                                                                                                                                                                                 
PH1 SMILES_CANONICAL CACTVS               3.341 CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCOC[C@@H](C)OCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C                                                                                                           
PH1 SMILES           CACTVS               3.341 CC(C)CCC[CH](C)CCC[CH](C)CCC[CH](C)CCOC[CH](C)OCC[CH](C)CCC[CH](C)CCC[CH](C)CCCC(C)C                                                                                                                      
PH1 SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCOC[C@@H](C)OCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C                                                                                                           
PH1 SMILES           "OpenEye OEToolkits" 1.5.0 CC(C)CCCC(C)CCCC(C)CCCC(C)CCOCC(C)OCCC(C)CCCC(C)CCCC(C)CCCC(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 
PH1 "SYSTEMATIC NAME" ACDLabs              10.04 "(3S,7S,11S,3'S,7'S,11'S)-1,1'-[(2R)-propane-1,2-diylbis(oxy)]bis(3,7,11,15-tetramethylhexadecane)"         
PH1 "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 (3S,7S,11S)-3,7,11,15-tetramethyl-1-[(2R)-2-[(3S,7S,11S)-3,7,11,15-tetramethylhexadecoxy]propoxy]hexadecane 
# 
