data_TEL
# 
_chem_comp.id                                    TEL 
_chem_comp.name                                  TELITHROMYCIN 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C43 H65 N5 O10" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         
;(3R,5S,6S,7R,8S,11S,12R,13S,14R,15S)-12- [(4-O-ACETYL-2,6-DIDEOXY-3-O-METHYL-ALPHA-L-ARABINO-HEXOPYRANOSYL) OXY] -14-{[2-O-ACETYL-3,4,6-TRIDEOXY-3-(DIMETHYLAMINO) BETA-D-XYLO-HEXOPYRANOSYL]OXY} -5,7,8,11,13,15-HEXAMETHYL-4,10-DIOXO-1,9-DIOXASPIRO[2.13]HEXADEC-6-YL ACETATE
;
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2003-05-14 
_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                        812.004 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     TEL 
_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        ? 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  PDBJ 
# 
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 
TEL C1   C1   C 0 1 N N N 38.828 130.698 124.733 5.491  -0.236 -2.295 C1   TEL 1   
TEL C2   C2   C 0 1 N N S 39.939 131.240 125.703 4.860  0.394  -1.062 C2   TEL 2   
TEL C3   C3   C 0 1 N N R 40.559 132.619 125.089 3.952  -0.522 -0.238 C3   TEL 3   
TEL C4   C4   C 0 1 N N R 40.918 129.948 126.074 4.088  1.655  -1.485 C4   TEL 4   
TEL O5   O5   O 0 1 N N N 39.351 131.779 126.961 5.912  0.786  -0.121 O5   TEL 5   
TEL N6   N6   N 0 1 N N N 39.278 133.431 125.312 4.380  -0.247 1.146  N6   TEL 6   
TEL C7   C7   C 0 1 N N R 41.236 132.597 123.579 4.019  -2.000 -0.570 C7   TEL 7   
TEL C8   C8   C 0 1 N N N 40.105 128.673 126.671 5.090  2.772  -1.789 C8   TEL 8   
TEL O9   O9   O 0 1 N N N 41.637 129.269 124.953 3.299  1.393  -2.676 O9   TEL 9   
TEL C10  C10  C 0 1 N N N 39.159 133.159 126.692 5.570  0.378  1.107  C10  TEL 10  
TEL C11  C11  C 0 1 N N N 39.059 134.919 124.951 3.631  -0.548 2.368  C11  TEL 11  
TEL C12  C12  C 0 1 N N N 41.802 133.994 123.114 4.933  -2.742 0.422  C12  TEL 12  
TEL C13  C13  C 0 1 N N N 42.479 131.719 123.396 2.637  -2.616 -0.500 C13  TEL 13  
TEL C14  C14  C 0 1 N N N 39.195 128.891 127.908 4.334  4.038  -2.198 C14  TEL 14  
TEL C15  C15  C 0 1 N N N 42.786 128.466 125.511 2.009  1.757  -2.718 C15  TEL 15  
TEL O16  O16  O 0 1 N N N 38.936 134.004 127.582 6.261  0.566  2.083  O16  TEL 16  
TEL C17  C17  C 0 1 N N N 38.358 135.227 123.586 2.667  0.600  2.671  C17  TEL 17  
TEL O18  O18  O 0 1 N N N 43.389 131.751 124.252 2.252  -3.096 0.532  O18  TEL 18  
TEL C19  C19  C 0 1 N N R 42.634 130.837 122.128 1.754  -2.658 -1.733 C19  TEL 19  
TEL O20  O20  O 0 1 N N N 43.343 128.829 126.571 1.453  2.136  -1.714 O20  TEL 20  
TEL C21  C21  C 0 1 N N S 43.331 127.140 124.875 1.247  1.716  -4.019 C21  TEL 21  
TEL C22  C22  C 0 1 N N N 38.233 136.776 123.494 1.972  0.343  4.009  C22  TEL 22  
TEL C23  C23  C 0 1 N N N 41.262 130.071 121.891 2.426  -1.848 -2.841 C23  TEL 23  
TEL C24  C24  C 0 1 N N N 43.903 129.852 122.332 0.378  -2.088 -1.425 C24  TEL 24  
TEL C25  C25  C 0 1 N N N 42.355 126.531 123.851 2.045  0.965  -5.079 C25  TEL 25  
TEL C26  C26  C 0 1 N N N 44.819 127.200 124.303 -0.106 1.103  -3.793 C26  TEL 26  
TEL C27  C27  C 0 1 N N N 37.603 137.300 122.163 1.008  1.492  4.313  C27  TEL 27  
TEL C28  C28  C 0 1 N N R 44.506 128.841 121.192 -0.663 -2.311 -2.512 C28  TEL 28  
TEL O29  O29  O 0 1 N N N 45.696 127.677 125.056 -0.992 1.790  -3.329 O29  TEL 29  
TEL C30  C30  C 0 1 N N R 45.307 126.670 122.870 -0.411 -0.335 -4.129 C30  TEL 30  
TEL N31  N31  N 0 1 Y N N 36.634 138.421 122.424 0.342  1.246  5.594  N31  TEL 31  
TEL O32  O32  O 0 1 N N N 45.197 129.625 120.106 -1.774 -3.013 -1.892 O32  TEL 32  
TEL C33  C33  C 0 1 N N N 43.393 127.907 120.551 -0.209 -3.185 -3.669 C33  TEL 33  
TEL C34  C34  C 0 1 N N R 45.706 127.812 121.644 -1.217 -0.972 -2.999 C34  TEL 34  
TEL C35  C35  C 0 1 N N N 46.478 125.752 123.261 -1.256 -0.362 -5.412 C35  TEL 35  
TEL C36  C36  C 0 1 Y N N 35.325 138.402 121.889 -0.834 0.576  5.778  C36  TEL 36  
TEL C37  C37  C 0 1 Y N N 36.772 139.652 123.168 0.776  1.644  6.810  C37  TEL 37  
TEL C38  C38  C 0 1 N N N 44.422 130.369 119.137 -1.305 -4.322 -1.564 C38  TEL 38  
TEL O39  O39  O 0 1 N N N 45.890 127.351 120.238 -2.568 -1.174 -3.464 O39  TEL 39  
TEL C40  C40  C 0 1 Y N N 34.730 139.532 122.289 -1.079 0.579  7.115  C40  TEL 40  
TEL N41  N41  N 0 1 Y N N 35.644 140.297 123.082 -0.072 1.245  7.715  N41  TEL 41  
TEL C42  C42  C 0 1 N N S 46.883 126.483 119.709 -3.298 0.010  -3.142 C42  TEL 42  
TEL C43  C43  C 0 1 Y N N 33.311 139.886 121.927 -2.248 -0.035 7.791  C43  TEL 43  
TEL C44  C44  C 0 1 N N R 46.262 125.214 119.074 -4.746 -0.139 -3.614 C44  TEL 44  
TEL O45  O45  O 0 1 N N N 47.583 127.255 118.706 -3.270 0.216  -1.731 O45  TEL 45  
TEL C46  C46  C 0 1 Y N N 32.732 141.051 122.356 -2.878 0.617  8.854  C46  TEL 46  
TEL C47  C47  C 0 1 Y N N 32.478 138.958 121.075 -2.739 -1.270 7.373  C47  TEL 47  
TEL O48  O48  O 0 1 N N N 45.577 124.493 120.102 -4.767 -0.372 -5.024 O48  TEL 48  
TEL C49  C49  C 0 1 N N S 47.450 124.354 118.387 -5.511 1.150  -3.297 C49  TEL 49  
TEL C50  C50  C 0 1 N N R 48.640 126.545 118.042 -3.849 1.493  -1.469 C50  TEL 50  
TEL C51  C51  C 0 1 Y N N 31.318 141.358 121.973 -3.964 0.002  9.452  C51  TEL 51  
TEL N52  N52  N 0 1 Y N N 31.246 139.259 120.759 -3.773 -1.820 7.977  N52  TEL 52  
TEL N53  N53  N 0 1 N N N 46.978 123.066 117.666 -6.936 0.970  -3.603 N53  TEL 53  
TEL C54  C54  C 0 1 N N N 48.117 125.274 117.337 -5.341 1.465  -1.806 C54  TEL 54  
TEL C55  C55  C 0 1 N N N 49.300 127.472 117.013 -3.669 1.839  0.009  C55  TEL 55  
TEL C56  C56  C 0 1 Y N N 30.626 140.476 121.202 -4.387 -1.228 8.982  C56  TEL 56  
TEL C57  C57  C 0 1 N N N 48.110 122.358 117.036 -7.480 0.078  -2.571 C57  TEL 57  
TEL C58  C58  C 0 1 N N N 46.348 122.082 118.545 -7.578 2.278  -3.411 C58  TEL 58  
TEL H11  1H1  H 0 1 N N N 38.404 129.755 125.152 6.135  0.493  -2.786 H11  TEL 59  
TEL H12  2H1  H 0 1 N N N 38.041 131.459 124.522 6.083  -1.101 -1.998 H12  TEL 60  
TEL H13  3H1  H 0 1 N N N 39.202 130.567 123.691 4.707  -0.550 -2.984 H13  TEL 61  
TEL H3   H3   H 0 1 N N N 41.501 133.002 125.545 2.903  -0.178 -0.335 H3   TEL 62  
TEL H4   H4   H 0 1 N N N 41.613 130.476 126.767 3.440  1.977  -0.670 H4   TEL 63  
TEL H7   H7   H 0 1 N N N 40.358 132.220 123.004 4.440  -2.211 -1.554 H7   TEL 64  
TEL H81  1H8  H 0 1 N N N 39.502 128.212 125.853 5.745  2.461  -2.604 H81  TEL 65  
TEL H82  2H8  H 0 1 N N N 40.827 127.853 126.892 5.688  2.976  -0.901 H82  TEL 66  
TEL H111 1H11 H 0 0 N N N 38.502 135.422 125.775 3.065  -1.469 2.229  H111 TEL 67  
TEL H112 2H11 H 0 0 N N N 40.033 135.459 124.997 4.325  -0.669 3.199  H112 TEL 68  
TEL H121 1H12 H 0 0 N N N 42.258 133.979 122.096 5.057  -3.775 0.098  H121 TEL 69  
TEL H122 2H12 H 0 0 N N N 41.012 134.778 123.178 5.906  -2.252 0.455  H122 TEL 70  
TEL H123 3H12 H 0 0 N N N 42.525 134.393 123.862 4.483  -2.723 1.414  H123 TEL 71  
TEL H141 1H14 H 0 0 N N N 38.637 128.016 128.317 5.048  4.833  -2.415 H141 TEL 72  
TEL H142 2H14 H 0 0 N N N 39.797 129.351 128.725 3.737  3.834  -3.086 H142 TEL 73  
TEL H143 3H14 H 0 0 N N N 38.472 129.710 127.686 3.680  4.349  -1.384 H143 TEL 74  
TEL H171 1H17 H 0 0 N N N 38.877 134.773 122.710 3.224  1.536  2.725  H171 TEL 75  
TEL H172 2H17 H 0 0 N N N 37.385 134.697 123.459 1.920  0.667  1.880  H172 TEL 76  
TEL H19  H19  H 0 1 N N N 42.841 131.439 121.212 1.675  -3.705 -2.026 H19  TEL 77  
TEL H21  H21  H 0 1 N N N 43.399 126.450 125.748 1.104  2.748  -4.361 H21  TEL 78  
TEL H221 1H22 H 0 0 N N N 37.670 137.172 124.371 1.415  -0.592 3.956  H221 TEL 79  
TEL H222 2H22 H 0 0 N N N 39.224 137.255 123.668 2.719  0.277  4.800  H222 TEL 80  
TEL H231 1H23 H 0 0 N N N 41.373 129.437 120.980 3.402  -2.278 -3.065 H231 TEL 81  
TEL H232 2H23 H 0 0 N N N 40.933 129.489 122.783 1.805  -1.871 -3.737 H232 TEL 82  
TEL H233 3H23 H 0 0 N N N 40.387 130.760 121.832 2.551  -0.816 -2.513 H233 TEL 83  
TEL H241 1H24 H 0 0 N N N 44.751 130.489 122.674 0.463  -1.018 -1.215 H241 TEL 84  
TEL H242 2H24 H 0 0 N N N 43.682 129.227 123.228 0.006  -2.553 -0.494 H242 TEL 85  
TEL H251 1H25 H 0 0 N N N 42.742 125.588 123.398 2.998  1.469  -5.242 H251 TEL 86  
TEL H252 2H25 H 0 0 N N N 41.347 126.374 124.301 2.227  -0.055 -4.742 H252 TEL 87  
TEL H253 3H25 H 0 0 N N N 42.086 127.272 123.063 1.481  0.944  -6.012 H253 TEL 88  
TEL H271 1H27 H 0 0 N N N 38.386 137.598 121.428 1.565  2.428  4.366  H271 TEL 89  
TEL H272 2H27 H 0 0 N N N 37.128 136.475 121.581 0.261  1.559  3.522  H272 TEL 90  
TEL H30  H30  H 0 1 N N N 44.459 126.181 122.333 0.501  -0.883 -4.306 H30  TEL 91  
TEL H331 1H33 H 0 0 N N N 43.803 127.219 119.775 0.436  -2.606 -4.329 H331 TEL 92  
TEL H332 2H33 H 0 0 N N N 42.844 127.339 121.338 0.340  -4.042 -3.282 H332 TEL 93  
TEL H333 3H33 H 0 0 N N N 42.549 128.511 120.143 -1.080 -3.532 -4.225 H333 TEL 94  
TEL H34  H34  H 0 1 N N N 46.605 128.183 122.187 -1.258 -0.276 -2.155 H34  TEL 95  
TEL H351 1H35 H 0 0 N N N 46.817 125.383 122.264 -0.697 0.101  -6.225 H351 TEL 96  
TEL H352 2H35 H 0 0 N N N 47.268 126.230 123.884 -1.487 -1.395 -5.673 H352 TEL 97  
TEL H353 3H35 H 0 0 N N N 46.230 124.956 124.002 -2.183 0.187  -5.248 H353 TEL 98  
TEL H36  H36  H 0 1 N N N 34.846 137.631 121.261 -1.447 0.127  5.011  H36  TEL 99  
TEL H37  H37  H 0 1 N N N 37.632 140.050 123.732 1.681  2.203  7.002  H37  TEL 100 
TEL H381 1H38 H 0 0 N N N 44.933 130.949 118.333 -2.077 -4.857 -1.012 H381 TEL 101 
TEL H382 2H38 H 0 0 N N N 43.696 129.671 118.658 -1.071 -4.865 -2.480 H382 TEL 102 
TEL H383 3H38 H 0 0 N N N 43.740 131.058 119.687 -0.408 -4.243 -0.949 H383 TEL 103 
TEL H42  H42  H 0 1 N N N 47.562 126.123 120.516 -2.841 0.864  -3.642 H42  TEL 104 
TEL H44  H44  H 0 1 N N N 45.520 125.458 118.277 -5.215 -0.977 -3.099 H44  TEL 105 
TEL H46  H46  H 0 1 N N N 33.368 141.705 122.975 -2.526 1.578  9.201  H46  TEL 106 
TEL H47  H47  H 0 1 N N N 32.792 137.989 120.652 -2.261 -1.786 6.553  H47  TEL 107 
TEL H48  H48  H 0 1 N N N 45.196 123.714 119.712 -4.276 -1.191 -5.179 H48  TEL 108 
TEL H49  H49  H 0 1 N N N 48.136 124.021 119.200 -5.110 1.971  -3.892 H49  TEL 109 
TEL H50  H50  H 0 1 N N N 49.383 126.226 118.809 -3.353 2.247  -2.080 H50  TEL 110 
TEL H51  H51  H 0 1 N N N 30.766 142.266 122.269 -4.475 0.477  10.276 H51  TEL 111 
TEL H541 1H54 H 0 0 N N N 48.914 124.750 116.759 -5.835 0.696  -1.212 H541 TEL 112 
TEL H542 2H54 H 0 0 N N N 47.436 125.510 116.485 -5.783 2.437  -1.586 H542 TEL 113 
TEL H551 1H55 H 0 0 N N N 50.120 126.920 116.497 -2.606 1.865  0.250  H551 TEL 114 
TEL H552 2H55 H 0 0 N N N 48.562 127.901 116.295 -4.111 2.815  0.210  H552 TEL 115 
TEL H553 3H55 H 0 0 N N N 49.651 128.427 117.467 -4.162 1.084  0.622  H553 TEL 116 
TEL H56  H56  H 0 1 N N N 29.587 140.741 120.942 -5.234 -1.711 9.446  H56  TEL 117 
TEL H571 1H57 H 0 0 N N N 47.770 121.431 116.517 -8.503 -0.196 -2.830 H571 TEL 118 
TEL H572 2H57 H 0 0 N N N 48.679 123.026 116.348 -6.868 -0.821 -2.509 H572 TEL 119 
TEL H573 3H57 H 0 0 N N N 48.918 122.141 117.772 -7.474 0.589  -1.608 H573 TEL 120 
TEL H581 1H58 H 0 0 N N N 46.008 121.155 118.026 -8.630 2.211  -3.690 H581 TEL 121 
TEL H582 2H58 H 0 0 N N N 47.024 121.827 119.393 -7.497 2.572  -2.365 H582 TEL 122 
TEL H583 3H58 H 0 0 N N N 45.504 122.545 119.107 -7.083 3.020  -4.037 H583 TEL 123 
# 
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 
TEL C1  C2   SING N N 1   
TEL C1  H11  SING N N 2   
TEL C1  H12  SING N N 3   
TEL C1  H13  SING N N 4   
TEL C2  C3   SING N N 5   
TEL C2  C4   SING N N 6   
TEL C2  O5   SING N N 7   
TEL C3  N6   SING N N 8   
TEL C3  C7   SING N N 9   
TEL C3  H3   SING N N 10  
TEL C4  C8   SING N N 11  
TEL C4  O9   SING N N 12  
TEL C4  H4   SING N N 13  
TEL O5  C10  SING N N 14  
TEL N6  C10  SING N N 15  
TEL N6  C11  SING N N 16  
TEL C7  C12  SING N N 17  
TEL C7  C13  SING N N 18  
TEL C7  H7   SING N N 19  
TEL C8  C14  SING N N 20  
TEL C8  H81  SING N N 21  
TEL C8  H82  SING N N 22  
TEL O9  C15  SING N N 23  
TEL C10 O16  DOUB N N 24  
TEL C11 C17  SING N N 25  
TEL C11 H111 SING N N 26  
TEL C11 H112 SING N N 27  
TEL C12 H121 SING N N 28  
TEL C12 H122 SING N N 29  
TEL C12 H123 SING N N 30  
TEL C13 O18  DOUB N N 31  
TEL C13 C19  SING N N 32  
TEL C14 H141 SING N N 33  
TEL C14 H142 SING N N 34  
TEL C14 H143 SING N N 35  
TEL C15 O20  DOUB N N 36  
TEL C15 C21  SING N N 37  
TEL C17 C22  SING N N 38  
TEL C17 H171 SING N N 39  
TEL C17 H172 SING N N 40  
TEL C19 C23  SING N N 41  
TEL C19 C24  SING N N 42  
TEL C19 H19  SING N N 43  
TEL C21 C25  SING N N 44  
TEL C21 C26  SING N N 45  
TEL C21 H21  SING N N 46  
TEL C22 C27  SING N N 47  
TEL C22 H221 SING N N 48  
TEL C22 H222 SING N N 49  
TEL C23 H231 SING N N 50  
TEL C23 H232 SING N N 51  
TEL C23 H233 SING N N 52  
TEL C24 C28  SING N N 53  
TEL C24 H241 SING N N 54  
TEL C24 H242 SING N N 55  
TEL C25 H251 SING N N 56  
TEL C25 H252 SING N N 57  
TEL C25 H253 SING N N 58  
TEL C26 O29  DOUB N N 59  
TEL C26 C30  SING N N 60  
TEL C27 N31  SING N N 61  
TEL C27 H271 SING N N 62  
TEL C27 H272 SING N N 63  
TEL C28 O32  SING N N 64  
TEL C28 C33  SING N N 65  
TEL C28 C34  SING N N 66  
TEL C30 C34  SING N N 67  
TEL C30 C35  SING N N 68  
TEL C30 H30  SING N N 69  
TEL N31 C36  SING Y N 70  
TEL N31 C37  SING Y N 71  
TEL O32 C38  SING N N 72  
TEL C33 H331 SING N N 73  
TEL C33 H332 SING N N 74  
TEL C33 H333 SING N N 75  
TEL C34 O39  SING N N 76  
TEL C34 H34  SING N N 77  
TEL C35 H351 SING N N 78  
TEL C35 H352 SING N N 79  
TEL C35 H353 SING N N 80  
TEL C36 C40  DOUB Y N 81  
TEL C36 H36  SING N N 82  
TEL C37 N41  DOUB Y N 83  
TEL C37 H37  SING N N 84  
TEL C38 H381 SING N N 85  
TEL C38 H382 SING N N 86  
TEL C38 H383 SING N N 87  
TEL O39 C42  SING N N 88  
TEL C40 N41  SING Y N 89  
TEL C40 C43  SING N N 90  
TEL C42 C44  SING N N 91  
TEL C42 O45  SING N N 92  
TEL C42 H42  SING N N 93  
TEL C43 C46  DOUB Y N 94  
TEL C43 C47  SING Y N 95  
TEL C44 O48  SING N N 96  
TEL C44 C49  SING N N 97  
TEL C44 H44  SING N N 98  
TEL O45 C50  SING N N 99  
TEL C46 C51  SING Y N 100 
TEL C46 H46  SING N N 101 
TEL C47 N52  DOUB Y N 102 
TEL C47 H47  SING N N 103 
TEL O48 H48  SING N N 104 
TEL C49 N53  SING N N 105 
TEL C49 C54  SING N N 106 
TEL C49 H49  SING N N 107 
TEL C50 C54  SING N N 108 
TEL C50 C55  SING N N 109 
TEL C50 H50  SING N N 110 
TEL C51 C56  DOUB Y N 111 
TEL C51 H51  SING N N 112 
TEL N52 C56  SING Y N 113 
TEL N53 C57  SING N N 114 
TEL N53 C58  SING N N 115 
TEL C54 H541 SING N N 116 
TEL C54 H542 SING N N 117 
TEL C55 H551 SING N N 118 
TEL C55 H552 SING N N 119 
TEL C55 H553 SING N N 120 
TEL C56 H56  SING N N 121 
TEL C57 H571 SING N N 122 
TEL C57 H572 SING N N 123 
TEL C57 H573 SING N N 124 
TEL C58 H581 SING N N 125 
TEL C58 H582 SING N N 126 
TEL C58 H583 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 
TEL SMILES           ACDLabs              10.04 O=C2C(C(OC1OC(CC(N(C)C)C1O)C)C(OC)(C)CC(C(=O)C(C)C3N(C(=O)OC3(C)C(OC(=O)C2C)CC)CCCCn4cc(nc4)c5cccnc5)C)C 
TEL InChI            InChI                1.02b 
;InChI=1/C43H65N5O10/c1-12-33-43(8)37(48(41(53)58-43)19-14-13-18-47-23-31(45-24-47)30-16-15-17-44-22-30)27(4)34(49)25(2)21-42(7,54-11)38(28(5)35(50)29(6)39(52)56-33)57-40-36(51)32(46(9)10)20-26(3)55-40/h15-17,22-29,32-33,36-38,40,51H,12-14,18-21H2,1-11H3/t25-,26-,27+,28+,29+,32+,33-,36-,37-,38-,40+,42-,43-/m1/s1
;
TEL InChIKey         InChI                1.02b LJVAJPDWBABPEJ-MMEUOAQYBG 
TEL SMILES_CANONICAL CACTVS               3.341 CC[C@H]1OC(=O)[C@@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@](C)(C[C@@H](C)C(=O)[C@H](C)[C@H]3N(CCCCn4cnc(c4)c5cccnc5)C(=O)O[C@]13C)OC 
TEL SMILES           CACTVS               3.341 CC[CH]1OC(=O)[CH](C)C(=O)[CH](C)[CH](O[CH]2O[CH](C)C[CH]([CH]2O)N(C)C)[C](C)(C[CH](C)C(=O)[CH](C)[CH]3N(CCCCn4cnc(c4)c5cccnc5)C(=O)O[C]13C)OC 
TEL SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 CC[C@@H]1[C@@]2([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H](C(=O)[C@@H](C(=O)O1)C)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)C)N(C(=O)O2)CCCCn4cc(nc4)c5cccnc5)C 
TEL SMILES           "OpenEye OEToolkits" 1.5.0 CCC1C2(C(C(C(=O)C(CC(C(C(C(=O)C(C(=O)O1)C)C)OC3C(C(CC(O3)C)N(C)C)O)(C)OC)C)C)N(C(=O)O2)CCCCn4cc(nc4)c5cccnc5)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 
TEL "SYSTEMATIC NAME" ACDLabs              10.04 
;(3aS,4R,7S,9R,10R,11R,13R,15R,15aR)-4-ethyl-11-methoxy-3a,7,9,11,13,15-hexamethyl-2,6,8,14-tetraoxo-1-[4-(4-pyridin-3-yl-1H-imidazol-1-yl)butyl]tetradecahydro-2H-oxacyclotetradecino[4,3-d][1,3]oxazol-10-yl 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranoside
;
TEL "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 
(1S,2R,5S,7R,8R,9R,11R,13R,14R)-8-[(2S,3R,4S,6R)-4-dimethylamino-3-hydroxy-6-methyl-oxan-2-yl]oxy-2-ethyl-9-methoxy-1,5,7,9,11,13-hexamethyl-15-[4-(4-pyridin-3-ylimidazol-1-yl)butyl]-3,17-dioxa-15-azabicyclo[12.3.0]heptadecane-4,6,12,16-tetrone 
# 
