data_AGH
# 
_chem_comp.id                                    AGH 
_chem_comp.name                                  N-{(1S,2R,3S)-1-[(ALPHA-D-GALACTOPYRANOSYLOXY)METHYL]-2,3-DIHYDROXYHEPTADECYL}HEXACOSANAMIDE 
_chem_comp.type                                  D-SACCHARIDE 
_chem_comp.pdbx_type                             ATOMS 
_chem_comp.formula                               "C50 H99 N O9" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2005-06-06 
_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                        858.322 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     AGH 
_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        1ZT4 
_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 
AGH C1   C1   C 0 1 N N N 31.046 33.581 65.816 -6.005  -4.745 -1.477 C1   AGH 1   
AGH C2   C2   C 0 1 N N S 32.202 33.967 64.885 -5.984  -3.215 -1.489 C2   AGH 2   
AGH C3   C3   C 0 1 N N S 33.415 34.482 65.667 -7.319  -2.682 -0.965 C3   AGH 3   
AGH C4   C4   C 0 1 N N R 34.405 35.339 64.867 -7.351  -1.159 -1.105 C4   AGH 4   
AGH C5   C5   C 0 1 N N N 35.170 34.564 63.795 -8.686  -0.626 -0.580 C5   AGH 5   
AGH C6   C6   C 0 1 N N N 36.345 35.351 63.202 -8.769  0.880  -0.834 C6   AGH 6   
AGH O3   O3   O 0 1 N N N 32.949 35.268 66.765 -8.389  -3.252 -1.720 O3   AGH 7   
AGH C18  C18  C 0 1 N N N 43.384 44.148 65.966 -17.277 13.115 0.790  C18  AGH 8   
AGH C17  C17  C 0 1 N N N 42.985 42.705 66.280 -17.194 11.609 1.044  C17  AGH 9   
AGH C16  C16  C 0 1 N N N 43.278 41.752 65.121 -15.859 11.076 0.520  C16  AGH 10  
AGH C15  C15  C 0 1 N N N 42.644 40.391 65.416 -15.776 9.569  0.773  C15  AGH 11  
AGH C14  C14  C 0 1 N N N 42.665 39.480 64.189 -14.441 9.037  0.249  C14  AGH 12  
AGH C13  C13  C 0 1 N N N 41.899 38.195 64.497 -14.358 7.530  0.503  C13  AGH 13  
AGH C12  C12  C 0 1 N N N 41.019 37.799 63.314 -13.023 6.998  -0.022 C12  AGH 14  
AGH C11  C11  C 0 1 N N N 41.613 36.620 62.541 -12.940 5.491  0.232  C11  AGH 15  
AGH C10  C10  C 0 1 N N N 40.545 36.032 61.618 -11.605 4.959  -0.293 C10  AGH 16  
AGH C9   C9   C 0 1 N N N 39.300 35.605 62.397 -11.522 3.452  -0.039 C9   AGH 17  
AGH C8   C8   C 0 1 N N N 38.190 35.243 61.410 -10.187 2.919  -0.563 C8   AGH 18  
AGH C7   C7   C 0 1 N N N 37.016 34.538 62.092 -10.104 1.413  -0.310 C7   AGH 19  
AGH O4   O4   O 0 1 N N N 33.680 36.415 64.263 -6.280  -0.589 -0.349 O4   AGH 20  
AGH O1A  O1A  O 0 1 N N N 31.467 32.594 66.769 -6.314  -5.206 -0.160 O1A  AGH 21  
AGH C1A  C1A  C 0 1 N N S 30.590 32.581 67.909 -6.319  -6.634 -0.214 C1A  AGH 22  
AGH O6A  O6A  O 0 1 N N N 29.219 32.329 67.539 -4.985  -7.106 -0.399 O6A  AGH 23  
AGH C5M  C5M  C 0 1 N N R 29.006 31.025 66.973 -4.173  -6.509 0.610  C5M  AGH 24  
AGH C6A  C6A  C 0 1 N N N 27.568 30.864 66.482 -2.703  -6.835 0.338  C6A  AGH 25  
AGH O5A  O5A  O 0 1 N N N 27.384 31.657 65.308 -2.298  -6.221 -0.888 O5A  AGH 26  
AGH C4A  C4A  C 0 1 N N R 29.362 29.941 67.992 -4.567  -7.055 1.984  C4A  AGH 27  
AGH O4A  O4A  O 0 1 N N N 28.538 30.080 69.151 -4.411  -8.475 1.997  O4A  AGH 28  
AGH C3A  C3A  C 0 1 N N S 30.834 30.112 68.374 -6.031  -6.695 2.263  C3A  AGH 29  
AGH O3A  O3A  O 0 1 N N N 31.206 29.155 69.368 -6.457  -7.323 3.474  O3A  AGH 30  
AGH C2A  C2A  C 0 1 N N R 31.076 31.526 68.907 -6.887  -7.190 1.094  C2A  AGH 31  
AGH O2A  O2A  O 0 1 N N N 32.465 31.721 69.182 -8.232  -6.737 1.261  O2A  AGH 32  
AGH N2   N2   N 0 1 N N N 32.573 32.832 64.031 -4.896  -2.734 -0.634 N2   AGH 33  
AGH CAA  CAA  C 0 1 N N N 32.240 32.760 62.740 -3.647  -2.627 -1.128 CAA  AGH 34  
AGH OAA  OAA  O 0 1 N N N 31.553 33.599 62.173 -3.424  -2.928 -2.281 OAA  AGH 35  
AGH CAB  CAB  C 0 1 N N N 32.728 31.500 62.018 -2.528  -2.133 -0.248 CAB  AGH 36  
AGH CAC  CAC  C 0 1 N N N 32.380 31.488 60.528 -1.224  -2.106 -1.047 CAC  AGH 37  
AGH CAD  CAD  C 0 1 N N N 33.297 32.373 59.680 -0.088  -1.604 -0.153 CAD  AGH 38  
AGH CAE  CAE  C 0 1 N N N 32.818 32.354 58.227 1.216   -1.577 -0.953 CAE  AGH 39  
AGH CAF  CAF  C 0 1 N N N 33.959 32.419 57.211 2.352   -1.075 -0.059 CAF  AGH 40  
AGH CAG  CAG  C 0 1 N N N 34.339 33.851 56.830 3.656   -1.048 -0.859 CAG  AGH 41  
AGH CAH  CAH  C 0 1 N N N 35.343 33.868 55.676 4.792   -0.546 0.035  CAH  AGH 42  
AGH CAI  CAI  C 0 1 N N N 35.367 35.253 55.028 6.096   -0.519 -0.765 CAI  AGH 43  
AGH CAJ  CAJ  C 0 1 N N N 36.097 35.237 53.683 7.232   -0.017 0.129  CAJ  AGH 44  
AGH CAK  CAK  C 0 1 N N N 36.182 36.645 53.088 8.536   0.010  -0.670 CAK  AGH 45  
AGH CAL  CAL  C 0 1 N N N 34.884 37.122 52.429 9.672   0.511  0.223  CAL  AGH 46  
AGH CAM  CAM  C 0 1 N N N 34.752 36.555 51.014 10.976  0.538  -0.576 CAM  AGH 47  
AGH CAN  CAN  C 0 1 N N N 33.655 37.259 50.211 12.112  1.040  0.318  CAN  AGH 48  
AGH CAO  CAO  C 0 1 N N N 32.444 36.349 50.017 13.416  1.067  -0.482 CAO  AGH 49  
AGH CAP  CAP  C 0 1 N N N 32.019 36.406 48.548 14.552  1.569  0.412  CAP  AGH 50  
AGH CAQ  CAQ  C 0 1 N N N 31.415 35.085 48.068 15.856  1.596  -0.388 CAQ  AGH 51  
AGH CAR  CAR  C 0 1 N N N 32.332 33.912 48.426 16.992  2.098  0.506  CAR  AGH 52  
AGH CAS  CAS  C 0 1 N N N 31.967 32.667 47.617 18.296  2.125  -0.294 CAS  AGH 53  
AGH CAT  CAT  C 0 1 N N N 32.733 31.417 48.055 19.432  2.627  0.600  CAT  AGH 54  
AGH CAU  CAU  C 0 1 N N N 32.211 30.883 49.392 20.736  2.654  -0.199 CAU  AGH 55  
AGH CAV  CAV  C 0 1 N N N 32.454 29.382 49.576 21.872  3.155  0.694  CAV  AGH 56  
AGH CAW  CAW  C 0 1 N N N 33.892 28.996 49.928 23.176  3.183  -0.105 CAW  AGH 57  
AGH CAX  CAX  C 0 1 N N N 34.298 29.319 51.368 24.312  3.684  0.789  CAX  AGH 58  
AGH CAY  CAY  C 0 1 N N N 35.144 30.591 51.410 25.616  3.711  -0.011 CAY  AGH 59  
AGH CAZ  CAZ  C 0 1 N N N 36.123 30.572 52.586 26.752  4.213  0.883  CAZ  AGH 60  
AGH H11  1H1  H 0 1 N N N 30.602 34.473 66.315 -6.762  -5.103 -2.175 H11  AGH 61  
AGH H12  2H1  H 0 1 N N N 30.149 33.246 65.243 -5.027  -5.124 -1.775 H12  AGH 62  
AGH H2   H2   H 0 1 N N N 31.849 34.802 64.235 -5.827  -2.862 -2.509 H2   AGH 63  
AGH H5   H5   H 0 1 N N N 33.973 33.568 65.978 -7.431  -2.953 0.085  H5   AGH 64  
AGH H6   H6   H 0 1 N N N 35.176 35.710 65.580 -7.239  -0.888 -2.155 H6   AGH 65  
AGH H51  1H5  H 0 1 N N N 35.511 33.577 64.186 -9.505  -1.127 -1.096 H51  AGH 66  
AGH H52  2H5  H 0 1 N N N 34.481 34.214 62.991 -8.758  -0.819 0.490  H52  AGH 67  
AGH H61  1H6  H 0 1 N N N 36.034 36.362 62.849 -7.950  1.381  -0.318 H61  AGH 68  
AGH H62  2H6  H 0 1 N N N 37.072 35.667 63.985 -8.696  1.073  -1.905 H62  AGH 69  
AGH HO3  HO3  H 0 1 N N N 33.701 35.587 67.249 -8.210  -3.057 -2.650 HO3  AGH 70  
AGH H181 1H18 H 0 0 N N N 43.170 44.843 66.811 -16.458 13.616 1.306  H181 AGH 71  
AGH H182 2H18 H 0 0 N N N 44.453 44.210 65.655 -17.205 13.308 -0.280 H182 AGH 72  
AGH H183 3H18 H 0 0 N N N 42.903 44.501 65.024 -18.229 13.495 1.164  H183 AGH 73  
AGH H171 1H17 H 0 0 N N N 43.465 42.351 67.221 -18.013 11.107 0.528  H171 AGH 74  
AGH H172 2H17 H 0 0 N N N 41.915 42.642 66.590 -17.267 11.416 2.115  H172 AGH 75  
AGH H161 1H16 H 0 0 N N N 42.951 42.167 64.138 -15.040 11.577 1.035  H161 AGH 76  
AGH H162 2H16 H 0 0 N N N 44.368 41.672 64.903 -15.787 11.269 -0.551 H162 AGH 77  
AGH H151 1H15 H 0 0 N N N 43.124 39.900 66.294 -16.595 9.068  0.258  H151 AGH 78  
AGH H152 2H15 H 0 0 N N N 41.611 40.502 65.821 -15.849 9.377  1.844  H152 AGH 79  
AGH H141 1H14 H 0 0 N N N 42.279 39.992 63.276 -13.622 9.538  0.765  H141 AGH 80  
AGH H142 2H14 H 0 0 N N N 43.701 39.277 63.831 -14.369 9.229  -0.821 H142 AGH 81  
AGH H131 1H13 H 0 0 N N N 42.582 37.367 64.800 -15.177 7.029  -0.013 H131 AGH 82  
AGH H132 2H13 H 0 0 N N N 41.311 38.279 65.440 -14.431 7.338  1.573  H132 AGH 83  
AGH H121 1H12 H 0 0 N N N 39.972 37.588 63.636 -12.204 7.499  0.494  H121 AGH 84  
AGH H122 2H12 H 0 0 N N N 40.822 38.668 62.643 -12.950 7.190  -1.092 H122 AGH 85  
AGH H111 1H11 H 0 0 N N N 42.540 36.900 61.989 -13.759 4.990  -0.284 H111 AGH 86  
AGH H112 2H11 H 0 0 N N N 42.057 35.852 63.216 -13.013 5.298  1.302  H112 AGH 87  
AGH H101 1H10 H 0 0 N N N 40.287 36.736 60.792 -10.786 5.460  0.223  H101 AGH 88  
AGH H102 2H10 H 0 0 N N N 40.951 35.191 61.008 -11.532 5.151  -1.363 H102 AGH 89  
AGH H91  1H9  H 0 1 N N N 39.512 34.780 63.116 -12.341 2.951  -0.555 H91  AGH 90  
AGH H92  2H9  H 0 1 N N N 38.976 36.376 63.134 -11.595 3.259  1.032  H92  AGH 91  
AGH H81  1H8  H 0 1 N N N 37.847 36.139 60.842 -9.368  3.420  -0.048 H81  AGH 92  
AGH H82  2H8  H 0 1 N N N 38.586 34.637 60.562 -10.114 3.112  -1.634 H82  AGH 93  
AGH H71  1H7  H 0 1 N N N 37.333 33.541 62.478 -10.923 0.912  -0.825 H71  AGH 94  
AGH H72  2H7  H 0 1 N N N 36.262 34.218 61.335 -10.177 1.220  0.761  H72  AGH 95  
AGH HO4  HO4  H 0 1 N N N 34.292 36.945 63.767 -6.417  -0.851 0.571  HO4  AGH 96  
AGH H1A  H1A  H 0 1 N N N 30.617 33.591 68.379 -6.939  -6.964 -1.048 H1A  AGH 97  
AGH H5M  H5M  H 0 1 N N N 29.676 30.913 66.089 -4.313  -5.428 0.596  H5M  AGH 98  
AGH H6A1 1H6A H 0 0 N N N 27.292 29.795 66.319 -2.089  -6.455 1.154  H6A1 AGH 99  
AGH H6A2 2H6A H 0 0 N N N 26.820 31.100 67.274 -2.578  -7.915 0.261  H6A2 AGH 100 
AGH H5A  H5A  H 0 1 N N N 26.490 31.556 65.002 -1.368  -6.451 -1.021 H5A  AGH 101 
AGH H4A  H4A  H 0 1 N N N 29.193 28.928 67.556 -3.930  -6.611 2.749  H4A  AGH 102 
AGH H1   H1   H 0 1 N N N 28.759 29.406 69.783 -4.670  -8.777 2.879  H1   AGH 103 
AGH H3A  H3A  H 0 1 N N N 31.456 29.948 67.463 -6.130  -5.614 2.358  H3A  AGH 104 
AGH H3   H3   H 0 1 N N N 32.119 29.261 69.605 -7.380  -7.071 3.610  H3   AGH 105 
AGH H2A  H2A  H 0 1 N N N 30.495 31.641 69.851 -6.870  -8.280 1.065  H2A  AGH 106 
AGH H4   H4   H 0 1 N N N 32.766 31.066 69.801 -8.735  -7.071 0.505  H4   AGH 107 
AGH HN2  HN2  H 0 1 N N N 33.105 32.027 64.361 -5.075  -2.494 0.289  HN2  AGH 108 
AGH HAB1 1HAB H 0 0 N N N 33.822 31.353 62.171 -2.417  -2.800 0.607  HAB1 AGH 109 
AGH HAB2 2HAB H 0 0 N N N 32.347 30.581 62.522 -2.760  -1.127 0.104  HAB2 AGH 110 
AGH HAC1 1HAC H 0 0 N N N 32.364 30.444 60.134 -1.336  -1.438 -1.902 HAC1 AGH 111 
AGH HAC2 2HAC H 0 0 N N N 31.310 31.761 60.370 -0.993  -3.111 -1.399 HAC2 AGH 112 
AGH HAD1 1HAD H 0 0 N N N 33.376 33.408 60.084 0.023   -2.271 0.701  HAD1 AGH 113 
AGH HAD2 2HAD H 0 0 N N N 34.369 32.083 59.774 -0.320  -0.598 0.198  HAD2 AGH 114 
AGH HAE1 1HAE H 0 0 N N N 32.168 31.468 58.036 1.104   -0.909 -1.808 HAE1 AGH 115 
AGH HAE2 2HAE H 0 0 N N N 32.078 33.168 58.043 1.447   -2.582 -1.305 HAE2 AGH 116 
AGH HAF1 1HAF H 0 0 N N N 34.848 31.854 57.575 2.463   -1.742 0.795  HAF1 AGH 117 
AGH HAF2 2HAF H 0 0 N N N 33.719 31.816 56.304 2.120   -0.070 0.293  HAF2 AGH 118 
AGH HAG1 1HAG H 0 0 N N N 33.438 34.466 56.599 3.544   -0.381 -1.713 HAG1 AGH 119 
AGH HAG2 2HAG H 0 0 N N N 34.715 34.423 57.709 3.887   -2.053 -1.211 HAG2 AGH 120 
AGH HAH1 1HAH H 0 0 N N N 36.358 33.539 55.999 4.903   -1.214 0.890  HAH1 AGH 121 
AGH HAH2 2HAH H 0 0 N N N 35.140 33.061 54.933 4.560   0.459  0.387  HAH2 AGH 122 
AGH HAI1 1HAI H 0 0 N N N 34.338 35.672 54.927 5.984   0.148  -1.619 HAI1 AGH 123 
AGH HAI2 2HAI H 0 0 N N N 35.799 36.016 55.716 6.327   -1.524 -1.116 HAI2 AGH 124 
AGH HAJ1 1HAJ H 0 0 N N N 37.103 34.764 53.767 7.344   -0.685 0.984  HAJ1 AGH 125 
AGH HAJ2 2HAJ H 0 0 N N N 35.630 34.517 52.970 7.000   0.988  0.481  HAJ2 AGH 126 
AGH HAK1 1HAK H 0 0 N N N 36.521 37.375 53.858 8.424   0.677  -1.525 HAK1 AGH 127 
AGH HAK2 2HAK H 0 0 N N N 37.033 36.716 52.372 8.768   -0.996 -1.022 HAK2 AGH 128 
AGH HAL1 1HAL H 0 0 N N N 33.992 36.882 53.054 9.784   -0.156 1.078  HAL1 AGH 129 
AGH HAL2 2HAL H 0 0 N N N 34.801 38.233 52.437 9.441   1.517  0.575  HAL2 AGH 130 
AGH HAM1 1HAM H 0 0 N N N 35.727 36.582 50.475 10.864  1.206  -1.431 HAM1 AGH 131 
AGH HAM2 2HAM H 0 0 N N N 34.592 35.451 51.034 11.208  -0.467 -0.928 HAM2 AGH 132 
AGH HAN1 1HAN H 0 0 N N N 33.367 38.231 50.674 12.224  0.373  1.172  HAN1 AGH 133 
AGH HAN2 2HAN H 0 0 N N N 34.040 37.641 49.237 11.881  2.046  0.669  HAN2 AGH 134 
AGH HAO1 1HAO H 0 0 N N N 32.632 35.307 50.366 13.305  1.735  -1.337 HAO1 AGH 135 
AGH HAO2 2HAO H 0 0 N N N 31.608 36.596 50.712 13.648  0.062  -0.834 HAO2 AGH 136 
AGH HAP1 1HAP H 0 0 N N N 31.324 37.257 48.362 14.664  0.902  1.266  HAP1 AGH 137 
AGH HAP2 2HAP H 0 0 N N N 32.865 36.722 47.895 14.321  2.574  0.764  HAP2 AGH 138 
AGH HAQ1 1HAQ H 0 0 N N N 30.381 34.936 48.458 15.745  2.263  -1.242 HAQ1 AGH 139 
AGH HAQ2 2HAQ H 0 0 N N N 31.179 35.109 46.978 16.088  0.591  -0.740 HAQ2 AGH 140 
AGH HAR1 1HAR H 0 0 N N N 33.407 34.179 48.307 17.104  1.431  1.361  HAR1 AGH 141 
AGH HAR2 2HAR H 0 0 N N N 32.328 33.706 49.521 16.761  3.103  0.858  HAR2 AGH 142 
AGH HAS1 1HAS H 0 0 N N N 30.866 32.486 47.641 18.185  2.792  -1.148 HAS1 AGH 143 
AGH HAS2 2HAS H 0 0 N N N 32.099 32.850 46.525 18.528  1.120  -0.645 HAS2 AGH 144 
AGH HAT1 1HAT H 0 0 N N N 32.716 30.629 47.265 19.544  1.959  1.455  HAT1 AGH 145 
AGH HAT2 2HAT H 0 0 N N N 33.832 31.602 48.089 19.201  3.632  0.952  HAT2 AGH 146 
AGH HAU1 1HAU H 0 0 N N N 32.636 31.461 50.244 20.625  3.321  -1.054 HAU1 AGH 147 
AGH HAU2 2HAU H 0 0 N N N 31.131 31.129 49.524 20.968  1.648  -0.551 HAU2 AGH 148 
AGH HAV1 1HAV H 0 0 N N N 31.748 28.968 50.334 21.984  2.488  1.549  HAV1 AGH 149 
AGH HAV2 2HAV H 0 0 N N N 32.116 28.824 48.671 21.641  4.161  1.046  HAV2 AGH 150 
AGH HAW1 1HAW H 0 0 N N N 34.071 27.918 49.705 23.065  3.850  -0.960 HAW1 AGH 151 
AGH HAW2 2HAW H 0 0 N N N 34.606 29.460 49.208 23.408  2.177  -0.457 HAW2 AGH 152 
AGH HAX1 1HAX H 0 0 N N N 33.413 29.385 52.043 24.424  3.017  1.643  HAX1 AGH 153 
AGH HAX2 2HAX H 0 0 N N N 34.814 28.460 51.856 24.081  4.690  1.140  HAX2 AGH 154 
AGH HAY1 1HAY H 0 0 N N N 35.670 30.763 50.442 25.505  4.379  -0.866 HAY1 AGH 155 
AGH HAY2 2HAY H 0 0 N N N 34.506 31.505 51.424 25.848  2.706  -0.363 HAY2 AGH 156 
AGH HAZ1 1HAZ H 0 0 N N N 36.740 31.500 52.616 26.521  5.218  1.235  HAZ1 AGH 157 
AGH HAZ2 2HAZ H 0 0 N N N 35.596 30.399 53.553 26.864  3.546  1.737  HAZ2 AGH 158 
AGH HAZ3 3HAZ H 0 0 N N N 36.760 29.657 52.572 27.681  4.232  0.313  HAZ3 AGH 159 
# 
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 
AGH C1  C2   SING N N 1   
AGH C1  O1A  SING N N 2   
AGH C1  H11  SING N N 3   
AGH C1  H12  SING N N 4   
AGH C2  C3   SING N N 5   
AGH C2  N2   SING N N 6   
AGH C2  H2   SING N N 7   
AGH C3  C4   SING N N 8   
AGH C3  O3   SING N N 9   
AGH C3  H5   SING N N 10  
AGH C4  C5   SING N N 11  
AGH C4  O4   SING N N 12  
AGH C4  H6   SING N N 13  
AGH C5  C6   SING N N 14  
AGH C5  H51  SING N N 15  
AGH C5  H52  SING N N 16  
AGH C6  C7   SING N N 17  
AGH C6  H61  SING N N 18  
AGH C6  H62  SING N N 19  
AGH O3  HO3  SING N N 20  
AGH C18 C17  SING N N 21  
AGH C18 H181 SING N N 22  
AGH C18 H182 SING N N 23  
AGH C18 H183 SING N N 24  
AGH C17 C16  SING N N 25  
AGH C17 H171 SING N N 26  
AGH C17 H172 SING N N 27  
AGH C16 C15  SING N N 28  
AGH C16 H161 SING N N 29  
AGH C16 H162 SING N N 30  
AGH C15 C14  SING N N 31  
AGH C15 H151 SING N N 32  
AGH C15 H152 SING N N 33  
AGH C14 C13  SING N N 34  
AGH C14 H141 SING N N 35  
AGH C14 H142 SING N N 36  
AGH C13 C12  SING N N 37  
AGH C13 H131 SING N N 38  
AGH C13 H132 SING N N 39  
AGH C12 C11  SING N N 40  
AGH C12 H121 SING N N 41  
AGH C12 H122 SING N N 42  
AGH C11 C10  SING N N 43  
AGH C11 H111 SING N N 44  
AGH C11 H112 SING N N 45  
AGH C10 C9   SING N N 46  
AGH C10 H101 SING N N 47  
AGH C10 H102 SING N N 48  
AGH C9  C8   SING N N 49  
AGH C9  H91  SING N N 50  
AGH C9  H92  SING N N 51  
AGH C8  C7   SING N N 52  
AGH C8  H81  SING N N 53  
AGH C8  H82  SING N N 54  
AGH C7  H71  SING N N 55  
AGH C7  H72  SING N N 56  
AGH O4  HO4  SING N N 57  
AGH O1A C1A  SING N N 58  
AGH C1A O6A  SING N N 59  
AGH C1A C2A  SING N N 60  
AGH C1A H1A  SING N N 61  
AGH O6A C5M  SING N N 62  
AGH C5M C6A  SING N N 63  
AGH C5M C4A  SING N N 64  
AGH C5M H5M  SING N N 65  
AGH C6A O5A  SING N N 66  
AGH C6A H6A1 SING N N 67  
AGH C6A H6A2 SING N N 68  
AGH O5A H5A  SING N N 69  
AGH C4A O4A  SING N N 70  
AGH C4A C3A  SING N N 71  
AGH C4A H4A  SING N N 72  
AGH O4A H1   SING N N 73  
AGH C3A O3A  SING N N 74  
AGH C3A C2A  SING N N 75  
AGH C3A H3A  SING N N 76  
AGH O3A H3   SING N N 77  
AGH C2A O2A  SING N N 78  
AGH C2A H2A  SING N N 79  
AGH O2A H4   SING N N 80  
AGH N2  CAA  SING N N 81  
AGH N2  HN2  SING N N 82  
AGH CAA OAA  DOUB N N 83  
AGH CAA CAB  SING N N 84  
AGH CAB CAC  SING N N 85  
AGH CAB HAB1 SING N N 86  
AGH CAB HAB2 SING N N 87  
AGH CAC CAD  SING N N 88  
AGH CAC HAC1 SING N N 89  
AGH CAC HAC2 SING N N 90  
AGH CAD CAE  SING N N 91  
AGH CAD HAD1 SING N N 92  
AGH CAD HAD2 SING N N 93  
AGH CAE CAF  SING N N 94  
AGH CAE HAE1 SING N N 95  
AGH CAE HAE2 SING N N 96  
AGH CAF CAG  SING N N 97  
AGH CAF HAF1 SING N N 98  
AGH CAF HAF2 SING N N 99  
AGH CAG CAH  SING N N 100 
AGH CAG HAG1 SING N N 101 
AGH CAG HAG2 SING N N 102 
AGH CAH CAI  SING N N 103 
AGH CAH HAH1 SING N N 104 
AGH CAH HAH2 SING N N 105 
AGH CAI CAJ  SING N N 106 
AGH CAI HAI1 SING N N 107 
AGH CAI HAI2 SING N N 108 
AGH CAJ CAK  SING N N 109 
AGH CAJ HAJ1 SING N N 110 
AGH CAJ HAJ2 SING N N 111 
AGH CAK CAL  SING N N 112 
AGH CAK HAK1 SING N N 113 
AGH CAK HAK2 SING N N 114 
AGH CAL CAM  SING N N 115 
AGH CAL HAL1 SING N N 116 
AGH CAL HAL2 SING N N 117 
AGH CAM CAN  SING N N 118 
AGH CAM HAM1 SING N N 119 
AGH CAM HAM2 SING N N 120 
AGH CAN CAO  SING N N 121 
AGH CAN HAN1 SING N N 122 
AGH CAN HAN2 SING N N 123 
AGH CAO CAP  SING N N 124 
AGH CAO HAO1 SING N N 125 
AGH CAO HAO2 SING N N 126 
AGH CAP CAQ  SING N N 127 
AGH CAP HAP1 SING N N 128 
AGH CAP HAP2 SING N N 129 
AGH CAQ CAR  SING N N 130 
AGH CAQ HAQ1 SING N N 131 
AGH CAQ HAQ2 SING N N 132 
AGH CAR CAS  SING N N 133 
AGH CAR HAR1 SING N N 134 
AGH CAR HAR2 SING N N 135 
AGH CAS CAT  SING N N 136 
AGH CAS HAS1 SING N N 137 
AGH CAS HAS2 SING N N 138 
AGH CAT CAU  SING N N 139 
AGH CAT HAT1 SING N N 140 
AGH CAT HAT2 SING N N 141 
AGH CAU CAV  SING N N 142 
AGH CAU HAU1 SING N N 143 
AGH CAU HAU2 SING N N 144 
AGH CAV CAW  SING N N 145 
AGH CAV HAV1 SING N N 146 
AGH CAV HAV2 SING N N 147 
AGH CAW CAX  SING N N 148 
AGH CAW HAW1 SING N N 149 
AGH CAW HAW2 SING N N 150 
AGH CAX CAY  SING N N 151 
AGH CAX HAX1 SING N N 152 
AGH CAX HAX2 SING N N 153 
AGH CAY CAZ  SING N N 154 
AGH CAY HAY1 SING N N 155 
AGH CAY HAY2 SING N N 156 
AGH CAZ HAZ1 SING N N 157 
AGH CAZ HAZ2 SING N N 158 
AGH CAZ HAZ3 SING N N 159 
# 
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 
AGH SMILES           ACDLabs              10.04 O=C(NC(COC1OC(C(O)C(O)C1O)CO)C(O)C(O)CCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCCC 
AGH InChI            InChI                1.02b 
;InChI=1/C50H99NO9/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-45(54)51-42(41-59-50-49(58)48(57)47(56)44(40-52)60-50)46(55)43(53)38-36-34-32-30-28-16-14-12-10-8-6-4-2/h42-44,46-50,52-53,55-58H,3-41H2,1-2H3,(H,51,54)/t42-,43+,44+,46-,47-,48-,49+,50-/m0/s1/f/h51H
;
AGH InChIKey         InChI                1.02b VQFKFAKEUMHBLV-JERZDXQHDH 
AGH SMILES_CANONICAL CACTVS               3.341 CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCCC 
AGH SMILES           CACTVS               3.341 CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[CH](CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O)[CH](O)[CH](O)CCCCCCCCCCCCCC 
AGH SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O 
AGH SMILES           "OpenEye OEToolkits" 1.5.0 CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(COC1C(C(C(C(O1)CO)O)O)O)C(C(CCCCCCCCCCCCCC)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 
AGH "SYSTEMATIC NAME" ACDLabs              10.04 N-{(1S,2S,3R)-1-[(alpha-D-galactopyranosyloxy)methyl]-2,3-dihydroxyheptadecyl}hexacosanamide                                  
AGH "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 N-[(2S,3S,4R)-3,4-dihydroxy-1-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-octadecan-2-yl]hexacosanamide 
# 
