data_MYA
# 
_chem_comp.id                                    MYA 
_chem_comp.name                                  TETRADECANOYL-COA 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C35 H62 N7 O17 P3 S" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         MYRISTOYL-COA 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2001-04-23 
_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                        977.890 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     MYA 
_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        1IIC 
_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 
MYA N6A  N6A  N 0 1 N N N 71.127 78.608 22.316 -11.937 -8.233 1.609  N6A  MYA 1   
MYA C6A  C6A  C 0 1 Y N N 72.444 78.444 21.997 -12.116 -7.259 0.643  C6A  MYA 2   
MYA N1A  N1A  N 0 1 Y N N 73.007 79.406 21.155 -12.960 -7.449 -0.366 N1A  MYA 3   
MYA C2A  C2A  C 0 1 Y N N 74.298 79.344 20.771 -13.137 -6.525 -1.292 C2A  MYA 4   
MYA N3A  N3A  N 0 1 Y N N 75.181 78.345 21.157 -12.498 -5.374 -1.274 N3A  MYA 5   
MYA C4A  C4A  C 0 1 Y N N 74.612 77.451 21.939 -11.638 -5.092 -0.301 C4A  MYA 6   
MYA C5A  C5A  C 0 1 Y N N 73.302 77.421 22.395 -11.410 -6.046 0.706  C5A  MYA 7   
MYA N9A  N9A  N 0 1 Y N N 75.331 76.369 22.431 -10.830 -4.025 -0.001 N9A  MYA 8   
MYA N7A  N7A  N 0 1 Y N N 73.151 76.345 23.170 -10.497 -5.518 1.557  N7A  MYA 9   
MYA C8A  C8A  C 0 1 Y N N 74.342 75.760 23.174 -10.156 -4.332 1.144  C8A  MYA 10  
MYA CFM  CFM  C 0 1 N N N 76.325 84.529 8.690  25.693  -6.504 0.098  CFM  MYA 11  
MYA CBM  CBM  C 0 1 N N N 74.959 81.419 12.556 21.478  -3.848 -0.298 CBM  MYA 12  
MYA CCM  CCM  C 0 1 N N N 74.532 82.116 11.242 22.133  -5.060 0.367  CCM  MYA 13  
MYA CDM  CDM  C 0 1 N N N 75.613 83.056 10.652 23.585  -5.176 -0.100 CDM  MYA 14  
MYA CEM  CEM  C 0 1 N N N 75.448 83.356 9.150  24.240  -6.388 0.565  CEM  MYA 15  
MYA CAM  CAM  C 0 1 N N N 74.723 82.234 13.857 20.026  -3.732 0.169  CAM  MYA 16  
MYA C9M  C9M  C 0 1 N N N 75.408 81.616 15.102 19.371  -2.520 -0.496 C9M  MYA 17  
MYA C8M  C8M  C 0 1 N N N 74.507 81.330 16.320 17.919  -2.404 -0.029 C8M  MYA 18  
MYA C7M  C7M  C 0 1 N N N 73.582 80.111 16.167 17.264  -1.192 -0.695 C7M  MYA 19  
MYA C3M  C3M  C 0 1 N N N 69.411 81.291 18.565 13.050  1.464  -1.091 C3M  MYA 20  
MYA C4M  C4M  C 0 1 N N N 70.856 80.716 18.722 13.705  0.252  -0.425 C4M  MYA 21  
MYA C5M  C5M  C 0 1 N N N 71.366 79.852 17.542 15.157  0.136  -0.893 C5M  MYA 22  
MYA C6M  C6M  C 0 1 N N N 72.914 79.708 17.506 15.812  -1.076 -0.227 C6M  MYA 23  
MYA C2M  C2M  C 0 1 N N N 68.450 80.401 19.353 11.620  1.578  -0.630 C2M  MYA 24  
MYA O2M  O2M  O 0 1 N N N 67.736 79.595 18.765 11.168  0.770  0.154  O2M  MYA 25  
MYA P3X  P3X  P 0 1 N N N 80.987 75.623 23.436 -12.262 1.518  -1.656 P3X  MYA 26  
MYA O7A  O7A  O 0 1 N N N 81.662 74.245 23.895 -12.781 2.155  -3.041 O7A  MYA 27  
MYA O8A  O8A  O 0 1 N N N 80.574 76.466 24.723 -13.496 1.386  -0.630 O8A  MYA 28  
MYA O9A  O9A  O 0 1 N N N 82.007 76.487 22.564 -11.223 2.394  -1.069 O9A  MYA 29  
MYA O3X  O3X  O 0 1 N N N 79.708 75.328 22.508 -11.639 0.060  -1.937 O3X  MYA 30  
MYA S1   S1   S 0 1 N N N 68.452 80.603 21.137 10.632  2.849  -1.213 S1   MYA 31  
MYA N4   N4   N 0 1 N N N 66.754 76.856 21.947 6.780   3.206  -0.009 N4   MYA 32  
MYA C5   C5   C 0 1 N N N 66.310 76.441 23.187 5.698   3.988  -0.187 C5   MYA 33  
MYA O5   O5   O 0 1 N N N 66.731 76.928 24.239 5.756   4.944  -0.932 O5   MYA 34  
MYA C6   C6   C 0 1 N N N 65.242 75.327 23.236 4.415   3.677  0.539  C6   MYA 35  
MYA C7   C7   C 0 1 N N N 65.667 74.104 24.095 3.352   4.711  0.164  C7   MYA 36  
MYA N8   N8   N 0 1 N N N 67.107 74.029 24.292 2.105   4.408  0.870  N8   MYA 37  
MYA C9   C9   C 0 1 N N N 67.914 73.158 23.600 1.022   5.191  0.692  C9   MYA 38  
MYA O9   O9   O 0 1 N N N 67.485 72.360 22.757 1.099   6.183  0.000  O9   MYA 39  
MYA C13  C13  C 0 1 N N N 70.309 75.062 22.467 0.057   2.389  0.960  C13  MYA 40  
MYA C11  C11  C 0 1 N N N 70.366 73.539 22.703 -0.864  3.581  0.692  C11  MYA 41  
MYA C14  C14  C 0 1 N N N 70.016 72.904 21.326 -0.978  3.808  -0.817 C14  MYA 42  
MYA C12  C12  C 0 1 N N N 71.820 73.123 23.065 -2.251  3.295  1.271  C12  MYA 43  
MYA P1A  P1A  P 0 1 N N R 75.442 70.755 22.427 -6.547  0.797  0.859  P1A  MYA 44  
MYA O2A  O2A  O 0 1 N N N 76.040 69.476 23.183 -6.849  0.347  2.375  O2A  MYA 45  
MYA O1A  O1A  O 0 1 N N N 74.642 70.311 21.108 -6.960  2.206  0.671  O1A  MYA 46  
MYA O3A  O3A  O 0 1 N N N 74.565 71.607 23.467 -4.971  0.656  0.562  O3A  MYA 47  
MYA O5X  O5X  O 0 1 N N N 76.646 71.734 21.972 -7.371  -0.144 -0.154 O5X  MYA 48  
MYA C4X  C4X  C 0 1 N N R 77.786 73.893 22.200 -9.601  -0.754 -0.859 C4X  MYA 49  
MYA O4X  O4X  O 0 1 N N N 76.889 74.757 21.480 -9.448  -2.141 -0.511 O4X  MYA 50  
MYA C1X  C1X  C 0 1 N N R 76.733 75.984 22.238 -10.716 -2.782 -0.767 C1X  MYA 51  
MYA C2X  C2X  C 0 1 N N R 77.537 75.850 23.563 -11.754 -1.739 -0.278 C2X  MYA 52  
MYA O2X  O2X  O 0 1 N N N 77.998 77.077 24.118 -13.007 -1.918 -0.940 O2X  MYA 53  
MYA C3X  C3X  C 0 1 N N S 78.571 74.791 23.175 -11.092 -0.400 -0.699 C3X  MYA 54  
MYA C5X  C5X  C 0 1 N N N 77.046 72.744 22.902 -8.757  0.113  0.078  C5X  MYA 55  
MYA P2A  P2A  P 0 1 N N S 73.157 71.004 23.854 -4.245  1.885  1.306  P2A  MYA 56  
MYA O4A  O4A  O 0 1 N N N 73.002 71.367 25.399 -4.080  1.542  2.871  O4A  MYA 57  
MYA O5A  O5A  O 0 1 N N N 73.026 69.407 23.720 -5.064  3.108  1.153  O5A  MYA 58  
MYA O6A  O6A  O 0 1 N N N 72.024 71.708 22.945 -2.793  2.126  0.653  O6A  MYA 59  
MYA C10  C10  C 0 1 N N S 69.413 73.249 23.947 -0.284  4.833  1.354  C10  MYA 60  
MYA O10  O10  O 0 1 N N N 69.766 72.056 24.689 -1.203  5.917  1.210  O10  MYA 61  
MYA C3   C3   C 0 1 N N N 67.755 77.911 21.743 8.028   3.509  -0.716 C3   MYA 62  
MYA C2   C2   C 0 1 N N N 67.210 79.343 21.648 9.091   2.474  -0.340 C2   MYA 63  
MYA H6A1 1H6A H 0 0 N N N 70.590 78.004 22.905 -11.318 -8.083 2.341  H6A1 MYA 64  
MYA H6A2 2H6A H 0 0 N N N 70.788 79.433 21.863 -12.430 -9.067 1.555  H6A2 MYA 65  
MYA H2AC CH2A H 0 0 N N N 74.669 80.122 20.121 -13.833 -6.720 -2.095 H2AC MYA 66  
MYA H8AC CH8A H 0 0 N N N 74.527 74.853 23.731 -9.443  -3.686 1.635  H8AC MYA 67  
MYA HFM1 1HFM H 0 0 N N N 76.788 84.283 7.723  26.236  -5.600 0.373  HFM1 MYA 68  
MYA HFM2 2HFM H 0 0 N N N 77.111 84.714 9.437  26.159  -7.367 0.572  HFM2 MYA 69  
MYA HFM3 3HFM H 0 0 N N N 75.704 85.430 8.580  25.717  -6.627 -0.985 HFM3 MYA 70  
MYA HBM1 1HBM H 0 0 N N N 76.047 81.272 12.483 22.022  -2.944 -0.023 HBM1 MYA 71  
MYA HBM2 2HBM H 0 0 N N N 74.379 80.488 12.640 21.503  -3.971 -1.381 HBM2 MYA 72  
MYA HCM1 1HCM H 0 0 N N N 73.656 82.739 11.477 21.590  -5.963 0.092  HCM1 MYA 73  
MYA HCM2 2HCM H 0 0 N N N 74.316 81.336 10.497 22.109  -4.937 1.450  HCM2 MYA 74  
MYA HDM1 1HDM H 0 0 N N N 76.577 82.539 10.767 24.129  -4.272 0.175  HDM1 MYA 75  
MYA HDM2 2HDM H 0 0 N N N 75.560 84.012 11.194 23.610  -5.299 -1.183 HDM2 MYA 76  
MYA HEM1 1HEM H 0 0 N N N 75.759 82.462 8.591  23.697  -7.291 0.290  HEM1 MYA 77  
MYA HEM2 2HEM H 0 0 N N N 74.395 83.610 8.958  24.216  -6.264 1.648  HEM2 MYA 78  
MYA HAM1 1HAM H 0 0 N N N 73.640 82.239 14.048 19.483  -4.635 -0.106 HAM1 MYA 79  
MYA HAM2 2HAM H 0 0 N N N 75.130 83.245 13.708 20.002  -3.609 1.252  HAM2 MYA 80  
MYA H9M1 1H9M H 0 0 N N N 76.131 82.372 15.444 19.915  -1.616 -0.221 H9M1 MYA 81  
MYA H9M2 2H9M H 0 0 N N N 75.843 80.655 14.789 19.395  -2.643 -1.579 H9M2 MYA 82  
MYA H8M1 1H8M H 0 0 N N N 73.852 82.206 16.437 17.375  -3.308 -0.304 H8M1 MYA 83  
MYA H8M2 2H8M H 0 0 N N N 75.161 81.147 17.185 17.895  -2.281 1.054  H8M2 MYA 84  
MYA H7M1 1H7M H 0 0 N N N 74.194 79.263 15.826 17.808  -0.288 -0.419 H7M1 MYA 85  
MYA H7M2 2H7M H 0 0 N N N 72.792 80.360 15.443 17.288  -1.315 -1.777 H7M2 MYA 86  
MYA H3M1 1H3M H 0 0 N N N 69.125 81.308 17.503 13.594  2.368  -0.815 H3M1 MYA 87  
MYA H3M2 2H3M H 0 0 N N N 69.374 82.319 18.956 13.074  1.341  -2.173 H3M2 MYA 88  
MYA H4M1 1H4M H 0 0 N N N 70.824 80.049 19.596 13.161  -0.652 -0.700 H4M1 MYA 89  
MYA H4M2 2H4M H 0 0 N N N 71.541 81.570 18.826 13.681  0.375  0.658  H4M2 MYA 90  
MYA H5M1 1H5M H 0 0 N N N 71.063 80.356 16.613 15.701  1.040  -0.617 H5M1 MYA 91  
MYA H5M2 2H5M H 0 0 N N N 70.930 78.847 17.639 15.181  0.013  -1.975 H5M2 MYA 92  
MYA H6M1 1H6M H 0 0 N N N 73.306 80.398 18.267 15.268  -1.980 -0.502 H6M1 MYA 93  
MYA H6M2 2H6M H 0 0 N N N 73.155 78.651 17.693 15.788  -0.953 0.856  H6M2 MYA 94  
MYA H7AO OH7A H 0 0 N N N 82.600 74.366 23.986 -13.146 3.025  -2.829 H7AO MYA 95  
MYA H8AO OH8A H 0 0 N N N 81.344 76.634 25.253 -14.148 0.809  -1.050 H8AO MYA 96  
MYA HN41 1HN4 H 0 0 N N N 66.370 76.411 21.138 6.734   2.441  0.586  HN41 MYA 97  
MYA HC61 1HC6 H 0 0 N N N 65.095 74.969 22.206 4.070   2.682  0.257  HC61 MYA 98  
MYA HC62 2HC6 H 0 0 N N N 64.324 75.750 23.671 4.589   3.709  1.615  HC62 MYA 99  
MYA HC71 1HC7 H 0 0 N N N 65.355 73.195 23.559 3.697   5.706  0.446  HC71 MYA 100 
MYA HC72 2HC7 H 0 0 N N N 65.186 74.188 25.080 3.177   4.679  -0.912 HC72 MYA 101 
MYA HN81 1HN8 H 0 0 N N N 67.529 74.640 24.962 2.058   3.644  1.466  HN81 MYA 102 
MYA H131 1H13 H 0 0 N N N 70.819 75.306 21.523 0.235   2.301  2.032  H131 MYA 103 
MYA H132 2H13 H 0 0 N N N 70.809 75.581 23.299 -0.414  1.476  0.595  H132 MYA 104 
MYA H133 3H13 H 0 0 N N N 69.259 75.386 22.411 1.005   2.539  0.446  H133 MYA 105 
MYA H141 1H14 H 0 0 N N N 70.526 71.934 21.229 0.010   4.012  -1.229 H141 MYA 106 
MYA H142 2H14 H 0 0 N N N 70.346 73.574 20.519 -1.392  2.916  -1.288 H142 MYA 107 
MYA H143 3H14 H 0 0 N N N 68.928 72.754 21.257 -1.634  4.657  -1.008 H143 MYA 108 
MYA H121 1H12 H 0 0 N N N 72.003 73.405 24.112 -2.170  3.133  2.346  H121 MYA 109 
MYA H122 2H12 H 0 0 N N N 72.512 73.636 22.381 -2.907  4.144  1.080  H122 MYA 110 
MYA H2AO OH2A H 0 0 N N N 76.970 69.602 23.333 -6.566  -0.574 2.455  H2AO MYA 111 
MYA H4X1 1H4X H 0 0 N N N 78.480 73.386 21.514 -9.290  -0.594 -1.891 H4X1 MYA 112 
MYA H1XC CH1X H 0 0 N N N 77.148 76.823 21.661 -10.840 -2.976 -1.832 H1XC MYA 113 
MYA H2XC CH2X H 0 0 N N N 76.947 75.537 24.437 -11.876 -1.790 0.804  H2XC MYA 114 
MYA H2XO OH2X H 0 0 N N N 77.262 77.665 24.242 -13.321 -2.803 -0.711 H2XO MYA 115 
MYA H3X1 1H3X H 0 0 N N N 78.975 74.282 24.062 -11.224 0.352  0.079  H3X1 MYA 116 
MYA H5X1 1H5X H 0 0 N N N 77.728 72.289 23.635 -9.003  -0.125 1.113  H5X1 MYA 117 
MYA H5X2 2H5X H 0 0 N N N 76.149 73.148 23.394 -8.969  1.165  -0.112 H5X2 MYA 118 
MYA H4AO OH4A H 0 0 N N N 73.862 71.439 25.796 -3.541  0.741  2.926  H4AO MYA 119 
MYA H10C CH10 H 0 0 N N N 69.579 74.138 24.573 -0.113  4.638  2.412  H10C MYA 120 
MYA H10O OH10 H 0 0 N N N 70.702 72.049 24.851 -1.326  6.056  0.261  H10O MYA 121 
MYA HC31 1HC3 H 0 0 N N N 68.221 77.700 20.769 8.373   4.503  -0.433 HC31 MYA 122 
MYA HC32 2HC3 H 0 0 N N N 68.446 77.878 22.598 7.853   3.476  -1.791 HC32 MYA 123 
MYA HC21 1HC2 H 0 0 N N N 66.433 79.333 20.870 8.746   1.480  -0.623 HC21 MYA 124 
MYA HC22 2HC2 H 0 0 N N N 66.833 79.626 22.642 9.265   2.507  0.735  HC22 MYA 125 
# 
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 
MYA N6A C6A  SING N N 1   
MYA N6A H6A1 SING N N 2   
MYA N6A H6A2 SING N N 3   
MYA C6A N1A  DOUB Y N 4   
MYA C6A C5A  SING Y N 5   
MYA N1A C2A  SING Y N 6   
MYA C2A N3A  DOUB Y N 7   
MYA C2A H2AC SING N N 8   
MYA N3A C4A  SING Y N 9   
MYA C4A C5A  DOUB Y N 10  
MYA C4A N9A  SING Y N 11  
MYA C5A N7A  SING Y N 12  
MYA N9A C8A  SING Y N 13  
MYA N9A C1X  SING N N 14  
MYA N7A C8A  DOUB Y N 15  
MYA C8A H8AC SING N N 16  
MYA CFM CEM  SING N N 17  
MYA CFM HFM1 SING N N 18  
MYA CFM HFM2 SING N N 19  
MYA CFM HFM3 SING N N 20  
MYA CBM CCM  SING N N 21  
MYA CBM CAM  SING N N 22  
MYA CBM HBM1 SING N N 23  
MYA CBM HBM2 SING N N 24  
MYA CCM CDM  SING N N 25  
MYA CCM HCM1 SING N N 26  
MYA CCM HCM2 SING N N 27  
MYA CDM CEM  SING N N 28  
MYA CDM HDM1 SING N N 29  
MYA CDM HDM2 SING N N 30  
MYA CEM HEM1 SING N N 31  
MYA CEM HEM2 SING N N 32  
MYA CAM C9M  SING N N 33  
MYA CAM HAM1 SING N N 34  
MYA CAM HAM2 SING N N 35  
MYA C9M C8M  SING N N 36  
MYA C9M H9M1 SING N N 37  
MYA C9M H9M2 SING N N 38  
MYA C8M C7M  SING N N 39  
MYA C8M H8M1 SING N N 40  
MYA C8M H8M2 SING N N 41  
MYA C7M C6M  SING N N 42  
MYA C7M H7M1 SING N N 43  
MYA C7M H7M2 SING N N 44  
MYA C3M C4M  SING N N 45  
MYA C3M C2M  SING N N 46  
MYA C3M H3M1 SING N N 47  
MYA C3M H3M2 SING N N 48  
MYA C4M C5M  SING N N 49  
MYA C4M H4M1 SING N N 50  
MYA C4M H4M2 SING N N 51  
MYA C5M C6M  SING N N 52  
MYA C5M H5M1 SING N N 53  
MYA C5M H5M2 SING N N 54  
MYA C6M H6M1 SING N N 55  
MYA C6M H6M2 SING N N 56  
MYA C2M O2M  DOUB N N 57  
MYA C2M S1   SING N N 58  
MYA P3X O7A  SING N N 59  
MYA P3X O8A  SING N N 60  
MYA P3X O9A  DOUB N N 61  
MYA P3X O3X  SING N N 62  
MYA O7A H7AO SING N N 63  
MYA O8A H8AO SING N N 64  
MYA O3X C3X  SING N N 65  
MYA S1  C2   SING N N 66  
MYA N4  C5   SING N N 67  
MYA N4  C3   SING N N 68  
MYA N4  HN41 SING N N 69  
MYA C5  O5   DOUB N N 70  
MYA C5  C6   SING N N 71  
MYA C6  C7   SING N N 72  
MYA C6  HC61 SING N N 73  
MYA C6  HC62 SING N N 74  
MYA C7  N8   SING N N 75  
MYA C7  HC71 SING N N 76  
MYA C7  HC72 SING N N 77  
MYA N8  C9   SING N N 78  
MYA N8  HN81 SING N N 79  
MYA C9  O9   DOUB N N 80  
MYA C9  C10  SING N N 81  
MYA C13 C11  SING N N 82  
MYA C13 H131 SING N N 83  
MYA C13 H132 SING N N 84  
MYA C13 H133 SING N N 85  
MYA C11 C14  SING N N 86  
MYA C11 C12  SING N N 87  
MYA C11 C10  SING N N 88  
MYA C14 H141 SING N N 89  
MYA C14 H142 SING N N 90  
MYA C14 H143 SING N N 91  
MYA C12 O6A  SING N N 92  
MYA C12 H121 SING N N 93  
MYA C12 H122 SING N N 94  
MYA P1A O2A  SING N N 95  
MYA P1A O1A  DOUB N N 96  
MYA P1A O3A  SING N N 97  
MYA P1A O5X  SING N N 98  
MYA O2A H2AO SING N N 99  
MYA O3A P2A  SING N N 100 
MYA O5X C5X  SING N N 101 
MYA C4X O4X  SING N N 102 
MYA C4X C3X  SING N N 103 
MYA C4X C5X  SING N N 104 
MYA C4X H4X1 SING N N 105 
MYA O4X C1X  SING N N 106 
MYA C1X C2X  SING N N 107 
MYA C1X H1XC SING N N 108 
MYA C2X O2X  SING N N 109 
MYA C2X C3X  SING N N 110 
MYA C2X H2XC SING N N 111 
MYA O2X H2XO SING N N 112 
MYA C3X H3X1 SING N N 113 
MYA C5X H5X1 SING N N 114 
MYA C5X H5X2 SING N N 115 
MYA P2A O4A  SING N N 116 
MYA P2A O5A  DOUB N N 117 
MYA P2A O6A  SING N N 118 
MYA O4A H4AO SING N N 119 
MYA C10 O10  SING N N 120 
MYA C10 H10C SING N N 121 
MYA O10 H10O SING N N 122 
MYA C3  C2   SING N N 123 
MYA C3  HC31 SING N N 124 
MYA C3  HC32 SING N N 125 
MYA C2  HC21 SING N N 126 
MYA C2  HC22 SING N N 127 
# 
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 
MYA SMILES           ACDLabs              10.04 O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)CCCCCCCCCCCCC 
MYA InChI            InChI                1.02b 
;InChI=1/C35H62N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-26(44)63-19-18-37-25(43)16-17-38-33(47)30(46)35(2,3)21-56-62(53,54)59-61(51,52)55-20-24-29(58-60(48,49)50)28(45)34(57-24)42-23-41-27-31(36)39-22-40-32(27)42/h22-24,28-30,34,45-46H,4-21H2,1-3H3,(H,37,43)(H,38,47)(H,51,52)(H,53,54)(H2,36,39,40)(H2,48,49,50)/t24-,28-,29-,30-,34-/m1/s1/f/h37-38,48-49,51,53H,36H2
;
MYA InChIKey         InChI                1.02b DUAFKXOFBZQTQE-KNNLKHFXDB 
MYA SMILES_CANONICAL CACTVS               3.341 CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](O)C(C)(C)CO[P@@](O)(=O)O[P@@](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O[P](O)(O)=O)n2cnc3c(N)ncnc23 
MYA SMILES           CACTVS               3.341 CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23 
MYA SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O 
MYA SMILES           "OpenEye OEToolkits" 1.5.0 CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O 
# 
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 
MYA "SYSTEMATIC NAME" ACDLabs              10.04 
;S-{(9S,13S,15R)-17-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-9,13,15-trihydroxy-10,10-dimethyl-13,15-dioxido-4,8-dioxo-12,14,16-trioxa-3,7-diaza-13,15-diphosphaheptadec-1-yl} tetradecanethioate (non-preferred name)
;
MYA "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 
"S-[2-[3-[[(2S)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethyl] tetradecanethioate" 
# 
