data_A1A8B
# 
_chem_comp.id                                    A1A8B 
_chem_comp.name                                  "(2S)-1-{[(S)-{[(1S,2R,3R,4S,5S,6R)-2-[(6-O-hexadecanoyl-beta-L-gulopyranosyl)oxy]-3,4,5-trihydroxy-6-{[beta-D-mannopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->6)-beta-D-mannopyranosyl-(1->6)-alpha-D-mannopyranosyl]oxy}cyclohexyl]oxy}(hydroxy)phosphoryl]oxy}-3-(hexadecanoyloxy)propan-2-yl 10-methyloctadecanoate" 
_chem_comp.type                                  non-polymer 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C90 H105 O39 P" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2024-09-19 
_chem_comp.pdbx_modified_date                    2025-06-20 
_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                        1841.747 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     A1A8B 
_chem_comp.pdbx_model_coordinates_details        ? 
_chem_comp.pdbx_model_coordinates_missing_flag   Y 
_chem_comp.pdbx_ideal_coordinates_details        Corina 
_chem_comp.pdbx_ideal_coordinates_missing_flag   Y 
_chem_comp.pdbx_model_coordinates_db_code        9DM5 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  RCSB 
_chem_comp.pdbx_pcm                              ? 
# 
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.pdbx_n_terminal_atom_flag 
_chem_comp_atom.pdbx_backbone_atom_flag 
_chem_comp_atom.pdbx_c_terminal_atom_flag 
_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 
A1A8B C4   C1   C 0 1 N N R N N N 180.899 173.447 151.778 ? ? ? C4   A1A8B 1   
A1A8B C5   C2   C 0 1 N N R N N N 178.677 172.837 152.417 ? ? ? C5   A1A8B 2   
A1A8B C6   C3   C 0 1 N N S N N N 177.006 171.250 151.767 ? ? ? C6   A1A8B 3   
A1A8B C7   C4   C 0 1 N N N N N N 177.215 169.998 150.954 ? ? ? C7   A1A8B 4   
A1A8B C8   C5   C 0 1 N N N N N N 175.170 168.819 151.229 ? ? ? C8   A1A8B 5   
A1A8B C10  C6   C 0 1 N N S N N N 177.200 170.988 153.245 ? ? ? C10  A1A8B 6   
A1A8B C13  C7   C 0 1 N N R N N N 181.756 174.562 152.346 ? ? ? C13  A1A8B 7   
A1A8B C15  C8   C 0 1 N N S N N N 181.907 175.612 150.056 ? ? ? C15  A1A8B 8   
A1A8B C17  C9   C 0 1 N N R N N N 184.627 173.984 149.569 ? ? ? C17  A1A8B 9   
A1A8B C20  C10  C 0 1 N N R N N N 188.831 173.749 151.139 ? ? ? C20  A1A8B 10  
A1A8B C21  C11  C 0 1 N N R N N N 189.070 175.901 152.147 ? ? ? C21  A1A8B 11  
A1A8B C22  C12  C 0 1 N N N N N N 188.188 177.065 151.765 ? ? ? C22  A1A8B 12  
A1A8B C24  C13  C 0 1 N N R N N N 190.023 179.694 152.204 ? ? ? C24  A1A8B 13  
A1A8B C26  C14  C 0 1 N N S N N N 189.918 180.803 153.223 ? ? ? C26  A1A8B 14  
A1A8B C28  C15  C 0 1 N N S N N N 188.830 179.130 154.770 ? ? ? C28  A1A8B 15  
A1A8B P1   P1   P 0 1 N N N N N N 179.559 172.695 148.210 ? ? ? P1   A1A8B 16  
A1A8B C1   C16  C 0 1 N N N N N N 175.749 172.403 148.671 ? ? ? C1   A1A8B 17  
A1A8B O1   O1   O 0 1 N N N N N N 178.121 172.087 148.581 ? ? ? O1   A1A8B 18  
A1A8B C2   C17  C 0 1 N N N N N N 176.955 172.519 147.830 ? ? ? C2   A1A8B 19  
A1A8B O2   O2   O 0 1 N N N N N N 180.537 171.575 147.992 ? ? ? O2   A1A8B 20  
A1A8B C3   C18  C 0 1 N N S N N N 181.173 173.213 150.299 ? ? ? C3   A1A8B 21  
A1A8B O3   O3   O 0 1 N N N N N N 179.378 173.698 147.105 ? ? ? O3   A1A8B 22  
A1A8B O4   O4   O 0 1 N N N N N N 179.932 173.467 149.566 ? ? ? O4   A1A8B 23  
A1A8B O5   O5   O 0 1 N N N N N N 179.527 173.839 151.928 ? ? ? O5   A1A8B 24  
A1A8B O6   O6   O 0 1 N N N N N N 177.994 172.210 151.338 ? ? ? O6   A1A8B 25  
A1A8B O7   O7   O 0 1 N N N N N N 176.468 168.923 151.562 ? ? ? O7   A1A8B 26  
A1A8B O8   O8   O 0 1 N N N N N N 174.713 169.322 150.242 ? ? ? O8   A1A8B 27  
A1A8B C9   C19  C 0 1 N N N N N N 174.412 168.016 152.225 ? ? ? C9   A1A8B 28  
A1A8B O9   O9   O 0 1 N N N N N N 176.351 169.928 153.657 ? ? ? O9   A1A8B 29  
A1A8B O10  O10  O 0 1 N N N N N N 178.821 170.211 154.841 ? ? ? O10  A1A8B 30  
A1A8B C11  C20  C 0 1 N N S N N N 178.645 170.622 153.489 ? ? ? C11  A1A8B 31  
A1A8B O11  O11  O 0 1 N N N N N N 180.037 172.414 154.364 ? ? ? O11  A1A8B 32  
A1A8B C12  C21  C 0 1 N N S N N N 179.513 171.820 153.180 ? ? ? C12  A1A8B 33  
A1A8B O12  O12  O 0 1 N N N N N N 181.384 174.812 153.699 ? ? ? O12  A1A8B 34  
A1A8B O13  O13  O 0 1 N N N N N N 182.458 176.847 152.051 ? ? ? O13  A1A8B 35  
A1A8B C14  C22  C 0 1 N N S N N N 181.595 175.836 151.531 ? ? ? C14  A1A8B 36  
A1A8B O14  O14  O 0 1 N N N N N N 180.798 176.024 149.258 ? ? ? O14  A1A8B 37  
A1A8B O15  O15  O 0 1 N N N N N N 183.496 173.848 150.385 ? ? ? O15  A1A8B 38  
A1A8B C16  C23  C 0 1 N N R N N N 182.241 174.157 149.762 ? ? ? C16  A1A8B 39  
A1A8B O16  O16  O 0 1 N N N N N N 185.778 173.835 150.368 ? ? ? O16  A1A8B 40  
A1A8B O17  O17  O 0 1 N N N N N N 187.992 172.638 151.009 ? ? ? O17  A1A8B 41  
A1A8B C18  C24  C 0 1 N N R N N N 185.627 172.772 151.318 ? ? ? C18  A1A8B 42  
A1A8B O18  O18  O 0 1 N N N N N N 188.269 174.707 152.011 ? ? ? O18  A1A8B 43  
A1A8B C19  C25  C 0 1 N N N N N N 186.958 172.580 152.002 ? ? ? C19  A1A8B 44  
A1A8B O19  O19  O 0 1 N N N N N N 187.987 177.908 152.918 ? ? ? O19  A1A8B 45  
A1A8B O20  O20  O 0 1 N N N N N N 190.235 178.464 152.907 ? ? ? O20  A1A8B 46  
A1A8B O21  O21  O 0 1 N N N N N N 190.804 179.636 149.912 ? ? ? O21  A1A8B 47  
A1A8B O22  O22  O 0 1 N N N N N N 189.717 182.031 152.535 ? ? ? O22  A1A8B 48  
A1A8B C23  C26  C 0 1 N N S N N N 189.133 178.077 153.706 ? ? ? C23  A1A8B 49  
A1A8B O23  O23  O 0 1 N N N N N N 188.736 181.498 155.205 ? ? ? O23  A1A8B 50  
A1A8B O24  O24  O 0 1 N N N N N N 189.835 179.093 155.792 ? ? ? O24  A1A8B 51  
A1A8B C25  C27  C 0 1 N N N N N N 191.190 179.869 151.263 ? ? ? C25  A1A8B 52  
A1A8B O25  O25  O 0 1 N N N N N N 188.109 179.913 157.115 ? ? ? O25  A1A8B 53  
A1A8B O26  O26  O 0 1 N N N N N N 185.132 180.424 158.462 ? ? ? O26  A1A8B 54  
A1A8B C27  C28  C 0 1 N N S N N N 188.753 180.530 154.156 ? ? ? C27  A1A8B 55  
A1A8B O27  O27  O 0 1 N N N N N N 189.173 179.408 160.078 ? ? ? O27  A1A8B 56  
A1A8B O28  O28  O 0 1 N N N N N N 189.112 182.393 157.966 ? ? ? O28  A1A8B 57  
A1A8B C29  C29  C 0 1 N N S N N N 189.425 179.379 157.107 ? ? ? C29  A1A8B 58  
A1A8B O29  O29  O 0 1 N N N N N N 190.964 181.150 156.615 ? ? ? O29  A1A8B 59  
A1A8B C30  C30  C 0 1 N N R N N N 187.540 180.064 158.434 ? ? ? C30  A1A8B 60  
A1A8B O30  O30  O 0 1 N N N N N N 191.266 174.879 151.888 ? ? ? O30  A1A8B 61  
A1A8B C31  C31  C 0 1 N N N N N N 186.402 181.051 158.305 ? ? ? C31  A1A8B 62  
A1A8B O31  O31  O 0 1 N N N N N N 189.634 176.602 149.126 ? ? ? O31  A1A8B 63  
A1A8B C32  C32  C 0 1 N N S N N N 188.612 180.533 159.410 ? ? ? C32  A1A8B 64  
A1A8B O32  O32  O 0 1 N N N N N N 187.790 174.871 149.276 ? ? ? O32  A1A8B 65  
A1A8B C33  C33  C 0 1 N N S N N N 189.691 181.294 158.667 ? ? ? C33  A1A8B 66  
A1A8B O33  O33  O 0 1 N N N N N N 183.757 171.360 150.927 ? ? ? O33  A1A8B 67  
A1A8B C34  C34  C 0 1 N N S N N N 190.401 180.391 157.681 ? ? ? C34  A1A8B 68  
A1A8B O34  O34  O 0 1 N N N N N N 186.655 171.712 148.715 ? ? ? O34  A1A8B 69  
A1A8B C35  C35  C 0 1 N N S N N N 190.359 175.819 151.305 ? ? ? C35  A1A8B 70  
A1A8B O35  O35  O 0 1 N N N N N N 185.247 173.322 147.348 ? ? ? O35  A1A8B 71  
A1A8B C36  C36  C 0 1 N N S N N N 190.072 175.454 149.851 ? ? ? C36  A1A8B 72  
A1A8B C37  C37  C 0 1 N N S N N N 189.028 174.363 149.763 ? ? ? C37  A1A8B 73  
A1A8B C38  C38  C 0 1 N N S N N N 185.125 171.527 150.593 ? ? ? C38  A1A8B 74  
A1A8B C39  C39  C 0 1 N N S N N N 185.279 171.648 149.079 ? ? ? C39  A1A8B 75  
A1A8B C40  C40  C 0 1 N N S N N N 184.591 172.880 148.531 ? ? ? C40  A1A8B 76  
A1A8B H1   H1   H 0 1 N N N N N N 181.096 172.518 152.334 ? ? ? H1   A1A8B 77  
A1A8B H2   H2   H 0 1 N N N N N N 177.945 173.274 153.113 ? ? ? H2   A1A8B 78  
A1A8B H3   H3   H 0 1 N N N N N N 175.991 171.638 151.593 ? ? ? H3   A1A8B 79  
A1A8B H4   H4   H 0 1 N N N N N N 178.285 169.742 150.936 ? ? ? H4   A1A8B 80  
A1A8B H5   H5   H 0 1 N N N N N N 176.860 170.161 149.926 ? ? ? H5   A1A8B 81  
A1A8B H6   H6   H 0 1 N N N N N N 176.964 171.905 153.805 ? ? ? H6   A1A8B 82  
A1A8B H7   H7   H 0 1 N N N N N N 182.810 174.250 152.301 ? ? ? H7   A1A8B 83  
A1A8B H8   H8   H 0 1 N N N N N N 182.786 176.222 149.798 ? ? ? H8   A1A8B 84  
A1A8B H9   H9   H 0 1 N N N N N N 184.629 174.960 149.061 ? ? ? H9   A1A8B 85  
A1A8B H10  H10  H 0 1 N N N N N N 189.814 173.433 151.519 ? ? ? H10  A1A8B 86  
A1A8B H11  H11  H 0 1 N N N N N N 189.362 176.021 153.201 ? ? ? H11  A1A8B 87  
A1A8B H12  H12  H 0 1 N N N N N N 188.671 177.645 150.965 ? ? ? H12  A1A8B 88  
A1A8B H13  H13  H 0 1 N N N N N N 187.217 176.689 151.410 ? ? ? H13  A1A8B 89  
A1A8B H14  H14  H 0 1 N N N N N N 189.091 179.646 151.622 ? ? ? H14  A1A8B 90  
A1A8B H15  H15  H 0 1 N N N N N N 190.847 180.841 153.811 ? ? ? H15  A1A8B 91  
A1A8B H16  H16  H 0 1 N N N N N N 187.851 178.897 155.213 ? ? ? H16  A1A8B 92  
A1A8B H17  H17  H 0 1 N N N N N N 174.893 172.722 148.114 ? ? ? H17  A1A8B 93  
A1A8B H20  H20  H 0 1 N N N N N N 177.086 173.567 147.522 ? ? ? H20  A1A8B 94  
A1A8B H21  H21  H 0 1 N N N N N N 176.840 171.886 146.938 ? ? ? H21  A1A8B 95  
A1A8B H22  H22  H 0 1 N N N N N N 180.931 171.661 147.132 ? ? ? H22  A1A8B 96  
A1A8B H23  H23  H 0 1 N N N N N N 181.497 172.173 150.148 ? ? ? H23  A1A8B 97  
A1A8B H24  H24  H 0 1 N N N N N N 175.100 167.407 152.830 ? ? ? H24  A1A8B 98  
A1A8B H25  H25  H 0 1 N N N N N N 173.829 168.675 152.885 ? ? ? H25  A1A8B 99  
A1A8B H27  H27  H 0 1 N N N N N N 176.474 169.765 154.585 ? ? ? H27  A1A8B 100 
A1A8B H28  H28  H 0 1 N N N N N N 178.269 169.458 155.018 ? ? ? H28  A1A8B 101 
A1A8B H29  H29  H 0 1 N N N N N N 178.921 169.802 152.810 ? ? ? H29  A1A8B 102 
A1A8B H30  H30  H 0 1 N N N N N N 180.558 171.775 154.836 ? ? ? H30  A1A8B 103 
A1A8B H31  H31  H 0 1 N N N N N N 180.340 171.494 152.532 ? ? ? H31  A1A8B 104 
A1A8B H32  H32  H 0 1 N N N N N N 181.485 174.016 154.208 ? ? ? H32  A1A8B 105 
A1A8B H33  H33  H 0 1 N N N N N N 182.264 176.987 152.970 ? ? ? H33  A1A8B 106 
A1A8B H34  H34  H 0 1 N N N N N N 180.550 176.168 151.614 ? ? ? H34  A1A8B 107 
A1A8B H35  H35  H 0 1 N N N N N N 180.593 176.933 149.445 ? ? ? H35  A1A8B 108 
A1A8B H36  H36  H 0 1 N N N N N N 182.318 174.023 148.673 ? ? ? H36  A1A8B 109 
A1A8B H37  H37  H 0 1 N N N N N N 184.881 173.057 152.075 ? ? ? H37  A1A8B 110 
A1A8B H38  H38  H 0 1 N N N N N N 186.980 171.601 152.504 ? ? ? H38  A1A8B 111 
A1A8B H39  H39  H 0 1 N N N N N N 187.112 173.376 152.745 ? ? ? H39  A1A8B 112 
A1A8B H40  H40  H 0 1 N N N N N N 191.556 179.753 149.343 ? ? ? H40  A1A8B 113 
A1A8B H41  H41  H 0 1 N N N N N N 189.649 182.740 153.164 ? ? ? H41  A1A8B 114 
A1A8B H42  H42  H 0 1 N N N N N N 189.369 177.134 154.221 ? ? ? H42  A1A8B 115 
A1A8B H43  H43  H 0 1 N N N N N N 188.005 181.323 155.786 ? ? ? H43  A1A8B 116 
A1A8B H44  H44  H 0 1 N N N N N N 191.982 179.156 151.538 ? ? ? H44  A1A8B 117 
A1A8B H45  H45  H 0 1 N N N N N N 191.573 180.896 151.354 ? ? ? H45  A1A8B 118 
A1A8B H46  H46  H 0 1 N N N N N N 184.445 181.074 158.375 ? ? ? H46  A1A8B 119 
A1A8B H47  H47  H 0 1 N N N N N N 187.821 180.600 153.576 ? ? ? H47  A1A8B 120 
A1A8B H48  H48  H 0 1 N N N N N N 189.841 179.701 160.686 ? ? ? H48  A1A8B 121 
A1A8B H49  H49  H 0 1 N N N N N N 188.665 182.962 158.582 ? ? ? H49  A1A8B 122 
A1A8B H50  H50  H 0 1 N N N N N N 189.463 178.468 157.722 ? ? ? H50  A1A8B 123 
A1A8B H51  H51  H 0 1 N N N N N N 191.576 181.786 156.967 ? ? ? H51  A1A8B 124 
A1A8B H52  H52  H 0 1 N N N N N N 187.140 179.100 158.782 ? ? ? H52  A1A8B 125 
A1A8B H53  H53  H 0 1 N N N N N N 191.434 175.119 152.792 ? ? ? H53  A1A8B 126 
A1A8B H54  H54  H 0 1 N N N N N N 186.514 181.825 159.078 ? ? ? H54  A1A8B 127 
A1A8B H55  H55  H 0 1 N N N N N N 186.447 181.517 157.310 ? ? ? H55  A1A8B 128 
A1A8B H56  H56  H 0 1 N N N N N N 190.293 177.284 149.184 ? ? ? H56  A1A8B 129 
A1A8B H57  H57  H 0 1 N N N N N N 188.146 181.209 160.142 ? ? ? H57  A1A8B 130 
A1A8B H58  H58  H 0 1 N N N N N N 187.154 174.167 149.231 ? ? ? H58  A1A8B 131 
A1A8B H59  H59  H 0 1 N N N N N N 190.426 181.663 159.397 ? ? ? H59  A1A8B 132 
A1A8B H60  H60  H 0 1 N N N N N N 183.668 171.285 151.870 ? ? ? H60  A1A8B 133 
A1A8B H61  H61  H 0 1 N N N N N N 191.196 179.848 158.212 ? ? ? H61  A1A8B 134 
A1A8B H62  H62  H 0 1 N N N N N N 187.107 170.947 149.050 ? ? ? H62  A1A8B 135 
A1A8B H63  H63  H 0 1 N N N N N N 190.824 176.816 151.314 ? ? ? H63  A1A8B 136 
A1A8B H64  H64  H 0 1 N N N N N N 184.808 174.095 147.012 ? ? ? H64  A1A8B 137 
A1A8B H65  H65  H 0 1 N N N N N N 191.003 175.075 149.405 ? ? ? H65  A1A8B 138 
A1A8B H66  H66  H 0 1 N N N N N N 189.399 173.581 149.085 ? ? ? H66  A1A8B 139 
A1A8B H67  H67  H 0 1 N N N N N N 185.708 170.660 150.938 ? ? ? H67  A1A8B 140 
A1A8B H68  H68  H 0 1 N N N N N N 184.819 170.762 148.617 ? ? ? H68  A1A8B 141 
A1A8B H69  H69  H 0 1 N N N N N N 183.542 172.633 148.312 ? ? ? H69  A1A8B 142 
A1A8B C41  C41  C 0 1 N N N N N N ?       ?       ?       ? ? ? C41  A1A8B 143 
A1A8B C42  C42  C 0 1 N N N N N N ?       ?       ?       ? ? ? C42  A1A8B 144 
A1A8B C43  C43  C 0 1 N N N N N N ?       ?       ?       ? ? ? C43  A1A8B 145 
A1A8B C44  C44  C 0 1 N N N N N N ?       ?       ?       ? ? ? C44  A1A8B 146 
A1A8B C45  C45  C 0 1 N N N N N N ?       ?       ?       ? ? ? C45  A1A8B 147 
A1A8B C46  C46  C 0 1 N N N N N N ?       ?       ?       ? ? ? C46  A1A8B 148 
A1A8B C47  C47  C 0 1 N N N N N N ?       ?       ?       ? ? ? C47  A1A8B 149 
A1A8B C48  C48  C 0 1 N N N N N N ?       ?       ?       ? ? ? C48  A1A8B 150 
A1A8B C49  C49  C 0 1 N N N N N N ?       ?       ?       ? ? ? C49  A1A8B 151 
A1A8B C50  C50  C 0 1 N N N N N N ?       ?       ?       ? ? ? C50  A1A8B 152 
A1A8B C51  C51  C 0 1 N N N N N N ?       ?       ?       ? ? ? C51  A1A8B 153 
A1A8B C52  C52  C 0 1 N N N N N N ?       ?       ?       ? ? ? C52  A1A8B 154 
A1A8B C53  C53  C 0 1 N N N N N N ?       ?       ?       ? ? ? C53  A1A8B 155 
A1A8B C54  C54  C 0 1 N N N N N N ?       ?       ?       ? ? ? C54  A1A8B 156 
A1A8B O38  O38  O 0 1 N N N N N N ?       ?       ?       ? ? ? O38  A1A8B 157 
A1A8B C56  C56  C 0 1 N N N N N N ?       ?       ?       ? ? ? C56  A1A8B 158 
A1A8B O36  O36  O 0 1 N N N N N N ?       ?       ?       ? ? ? O36  A1A8B 159 
A1A8B C58  C58  C 0 1 N N N N N N ?       ?       ?       ? ? ? C58  A1A8B 160 
A1A8B C57  C57  C 0 1 N N N N N N ?       ?       ?       ? ? ? C57  A1A8B 161 
A1A8B C59  C59  C 0 1 N N N N N N ?       ?       ?       ? ? ? C59  A1A8B 162 
A1A8B O37  O37  O 0 1 N N N N N N ?       ?       ?       ? ? ? O37  A1A8B 163 
A1A8B C55  C55  C 0 1 N N N N N N ?       ?       ?       ? ? ? C55  A1A8B 164 
A1A8B C60  C60  C 0 1 N N N N N N ?       ?       ?       ? ? ? C60  A1A8B 165 
A1A8B C61  C61  C 0 1 N N N N N N ?       ?       ?       ? ? ? C61  A1A8B 166 
A1A8B C62  C62  C 0 1 N N N N N N ?       ?       ?       ? ? ? C62  A1A8B 167 
A1A8B C63  C63  C 0 1 N N N N N N ?       ?       ?       ? ? ? C63  A1A8B 168 
A1A8B C64  C64  C 0 1 N N N N N N ?       ?       ?       ? ? ? C64  A1A8B 169 
A1A8B C65  C65  C 0 1 N N N N N N ?       ?       ?       ? ? ? C65  A1A8B 170 
A1A8B C66  C66  C 0 1 N N N N N N ?       ?       ?       ? ? ? C66  A1A8B 171 
A1A8B C67  C67  C 0 1 N N N N N N ?       ?       ?       ? ? ? C67  A1A8B 172 
A1A8B C68  C68  C 0 1 N N N N N N ?       ?       ?       ? ? ? C68  A1A8B 173 
A1A8B C69  C69  C 0 1 N N N N N N ?       ?       ?       ? ? ? C69  A1A8B 174 
A1A8B C70  C70  C 0 1 N N N N N N ?       ?       ?       ? ? ? C70  A1A8B 175 
A1A8B C71  C71  C 0 1 N N N N N N ?       ?       ?       ? ? ? C71  A1A8B 176 
A1A8B C72  C72  C 0 1 N N N N N N ?       ?       ?       ? ? ? C72  A1A8B 177 
A1A8B C73  C73  C 0 1 N N N N N N ?       ?       ?       ? ? ? C73  A1A8B 178 
A1A8B O39  O39  O 0 1 N N N N N N ?       ?       ?       ? ? ? O39  A1A8B 179 
A1A8B C74  C74  C 0 1 N N N N N N ?       ?       ?       ? ? ? C74  A1A8B 180 
A1A8B C75  C75  C 0 1 N N N N N N ?       ?       ?       ? ? ? C75  A1A8B 181 
A1A8B C76  C76  C 0 1 N N N N N N ?       ?       ?       ? ? ? C76  A1A8B 182 
A1A8B C77  C77  C 0 1 N N N N N N ?       ?       ?       ? ? ? C77  A1A8B 183 
A1A8B C78  C78  C 0 1 N N N N N N ?       ?       ?       ? ? ? C78  A1A8B 184 
A1A8B C79  C79  C 0 1 N N N N N N ?       ?       ?       ? ? ? C79  A1A8B 185 
A1A8B C80  C80  C 0 1 N N N N N N ?       ?       ?       ? ? ? C80  A1A8B 186 
A1A8B C81  C81  C 0 1 N N N N N N ?       ?       ?       ? ? ? C81  A1A8B 187 
A1A8B C82  C82  C 0 1 N N N N N N ?       ?       ?       ? ? ? C82  A1A8B 188 
A1A8B C83  C83  C 0 1 N N N N N N ?       ?       ?       ? ? ? C83  A1A8B 189 
A1A8B C84  C84  C 0 1 N N N N N N ?       ?       ?       ? ? ? C84  A1A8B 190 
A1A8B C85  C85  C 0 1 N N N N N N ?       ?       ?       ? ? ? C85  A1A8B 191 
A1A8B C86  C86  C 0 1 N N N N N N ?       ?       ?       ? ? ? C86  A1A8B 192 
A1A8B C87  C87  C 0 1 N N N N N N ?       ?       ?       ? ? ? C87  A1A8B 193 
A1A8B C88  C88  C 0 1 N N N N N N ?       ?       ?       ? ? ? C88  A1A8B 194 
A1A8B C89  C89  C 0 1 N N N N N N ?       ?       ?       ? ? ? C89  A1A8B 195 
A1A8B C90  C90  C 0 1 N N N N N N ?       ?       ?       ? ? ? C90  A1A8B 196 
A1A8B H18  H18  H 0 1 N N N N N N ?       ?       ?       ? ? ? H18  A1A8B 197 
A1A8B H19  H19  H 0 1 N N N N N N ?       ?       ?       ? ? ? H19  A1A8B 198 
A1A8B H26  H26  H 0 1 N N N N N N ?       ?       ?       ? ? ? H26  A1A8B 199 
A1A8B H70  H70  H 0 1 N N N N N N ?       ?       ?       ? ? ? H70  A1A8B 200 
A1A8B H71  H71  H 0 1 N N N N N N ?       ?       ?       ? ? ? H71  A1A8B 201 
A1A8B H72  H72  H 0 1 N N N N N N ?       ?       ?       ? ? ? H72  A1A8B 202 
A1A8B H73  H73  H 0 1 N N N N N N ?       ?       ?       ? ? ? H73  A1A8B 203 
A1A8B H74  H74  H 0 1 N N N N N N ?       ?       ?       ? ? ? H74  A1A8B 204 
A1A8B H75  H75  H 0 1 N N N N N N ?       ?       ?       ? ? ? H75  A1A8B 205 
A1A8B H76  H76  H 0 1 N N N N N N ?       ?       ?       ? ? ? H76  A1A8B 206 
A1A8B H77  H77  H 0 1 N N N N N N ?       ?       ?       ? ? ? H77  A1A8B 207 
A1A8B H78  H78  H 0 1 N N N N N N ?       ?       ?       ? ? ? H78  A1A8B 208 
A1A8B H79  H79  H 0 1 N N N N N N ?       ?       ?       ? ? ? H79  A1A8B 209 
A1A8B H80  H80  H 0 1 N N N N N N ?       ?       ?       ? ? ? H80  A1A8B 210 
A1A8B H81  H81  H 0 1 N N N N N N ?       ?       ?       ? ? ? H81  A1A8B 211 
A1A8B H82  H82  H 0 1 N N N N N N ?       ?       ?       ? ? ? H82  A1A8B 212 
A1A8B H83  H83  H 0 1 N N N N N N ?       ?       ?       ? ? ? H83  A1A8B 213 
A1A8B H84  H84  H 0 1 N N N N N N ?       ?       ?       ? ? ? H84  A1A8B 214 
A1A8B H85  H85  H 0 1 N N N N N N ?       ?       ?       ? ? ? H85  A1A8B 215 
A1A8B H86  H86  H 0 1 N N N N N N ?       ?       ?       ? ? ? H86  A1A8B 216 
A1A8B H87  H87  H 0 1 N N N N N N ?       ?       ?       ? ? ? H87  A1A8B 217 
A1A8B H88  H88  H 0 1 N N N N N N ?       ?       ?       ? ? ? H88  A1A8B 218 
A1A8B H89  H89  H 0 1 N N N N N N ?       ?       ?       ? ? ? H89  A1A8B 219 
A1A8B H90  H90  H 0 1 N N N N N N ?       ?       ?       ? ? ? H90  A1A8B 220 
A1A8B H91  H91  H 0 1 N N N N N N ?       ?       ?       ? ? ? H91  A1A8B 221 
A1A8B H92  H92  H 0 1 N N N N N N ?       ?       ?       ? ? ? H92  A1A8B 222 
A1A8B H93  H93  H 0 1 N N N N N N ?       ?       ?       ? ? ? H93  A1A8B 223 
A1A8B H94  H94  H 0 1 N N N N N N ?       ?       ?       ? ? ? H94  A1A8B 224 
A1A8B H95  H95  H 0 1 N N N N N N ?       ?       ?       ? ? ? H95  A1A8B 225 
A1A8B H96  H96  H 0 1 N N N N N N ?       ?       ?       ? ? ? H96  A1A8B 226 
A1A8B H97  H97  H 0 1 N N N N N N ?       ?       ?       ? ? ? H97  A1A8B 227 
A1A8B H98  H98  H 0 1 N N N N N N ?       ?       ?       ? ? ? H98  A1A8B 228 
A1A8B H99  H99  H 0 1 N N N N N N ?       ?       ?       ? ? ? H99  A1A8B 229 
A1A8B H100 H100 H 0 0 N N N N N N ?       ?       ?       ? ? ? H100 A1A8B 230 
A1A8B H101 H101 H 0 0 N N N N N N ?       ?       ?       ? ? ? H101 A1A8B 231 
A1A8B H102 H102 H 0 0 N N N N N N ?       ?       ?       ? ? ? H102 A1A8B 232 
A1A8B H103 H103 H 0 0 N N N N N N ?       ?       ?       ? ? ? H103 A1A8B 233 
A1A8B H104 H104 H 0 0 N N N N N N ?       ?       ?       ? ? ? H104 A1A8B 234 
A1A8B H105 H105 H 0 0 N N N N N N ?       ?       ?       ? ? ? H105 A1A8B 235 
# 
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 
A1A8B O3  P1   DOUB N N 1   
A1A8B O35 C40  SING N N 2   
A1A8B C2  O1   SING N N 3   
A1A8B C2  C1   SING N N 4   
A1A8B O2  P1   SING N N 5   
A1A8B P1  O1   SING N N 6   
A1A8B P1  O4   SING N N 7   
A1A8B C40 C39  SING N N 8   
A1A8B C40 C17  SING N N 9   
A1A8B O34 C39  SING N N 10  
A1A8B C39 C38  SING N N 11  
A1A8B O31 C36  SING N N 12  
A1A8B O14 C15  SING N N 13  
A1A8B O32 C37  SING N N 14  
A1A8B O4  C3   SING N N 15  
A1A8B C17 O16  SING N N 16  
A1A8B C17 O15  SING N N 17  
A1A8B C16 C15  SING N N 18  
A1A8B C16 C3   SING N N 19  
A1A8B C16 O15  SING N N 20  
A1A8B C37 C36  SING N N 21  
A1A8B C37 C20  SING N N 22  
A1A8B C36 C35  SING N N 23  
A1A8B O21 C25  SING N N 24  
A1A8B C15 C14  SING N N 25  
A1A8B O8  C8   DOUB N N 26  
A1A8B C3  C4   SING N N 27  
A1A8B O16 C18  SING N N 28  
A1A8B C38 O33  SING N N 29  
A1A8B C38 C18  SING N N 30  
A1A8B C7  O7   SING N N 31  
A1A8B C7  C6   SING N N 32  
A1A8B O17 C20  SING N N 33  
A1A8B O17 C19  SING N N 34  
A1A8B C20 O18  SING N N 35  
A1A8B C8  O7   SING N N 36  
A1A8B C8  C9   SING N N 37  
A1A8B C25 C24  SING N N 38  
A1A8B C35 O30  SING N N 39  
A1A8B C35 C21  SING N N 40  
A1A8B C18 C19  SING N N 41  
A1A8B O6  C6   SING N N 42  
A1A8B O6  C5   SING N N 43  
A1A8B C14 O13  SING N N 44  
A1A8B C14 C13  SING N N 45  
A1A8B C22 C21  SING N N 46  
A1A8B C22 O19  SING N N 47  
A1A8B C6  C10  SING N N 48  
A1A8B C4  O5   SING N N 49  
A1A8B C4  C13  SING N N 50  
A1A8B O5  C5   SING N N 51  
A1A8B O18 C21  SING N N 52  
A1A8B C24 O20  SING N N 53  
A1A8B C24 C26  SING N N 54  
A1A8B C13 O12  SING N N 55  
A1A8B C5  C12  SING N N 56  
A1A8B O22 C26  SING N N 57  
A1A8B O20 C23  SING N N 58  
A1A8B O19 C23  SING N N 59  
A1A8B C12 C11  SING N N 60  
A1A8B C12 O11  SING N N 61  
A1A8B C26 C27  SING N N 62  
A1A8B C10 C11  SING N N 63  
A1A8B C10 O9   SING N N 64  
A1A8B C11 O10  SING N N 65  
A1A8B C23 C28  SING N N 66  
A1A8B C27 C28  SING N N 67  
A1A8B C27 O23  SING N N 68  
A1A8B C28 O24  SING N N 69  
A1A8B O24 C29  SING N N 70  
A1A8B O29 C34  SING N N 71  
A1A8B C29 O25  SING N N 72  
A1A8B C29 C34  SING N N 73  
A1A8B O25 C30  SING N N 74  
A1A8B C34 C33  SING N N 75  
A1A8B O28 C33  SING N N 76  
A1A8B C31 C30  SING N N 77  
A1A8B C31 O26  SING N N 78  
A1A8B C30 C32  SING N N 79  
A1A8B C33 C32  SING N N 80  
A1A8B C32 O27  SING N N 81  
A1A8B C4  H1   SING N N 82  
A1A8B C5  H2   SING N N 83  
A1A8B C6  H3   SING N N 84  
A1A8B C7  H4   SING N N 85  
A1A8B C7  H5   SING N N 86  
A1A8B C10 H6   SING N N 87  
A1A8B C13 H7   SING N N 88  
A1A8B C15 H8   SING N N 89  
A1A8B C17 H9   SING N N 90  
A1A8B C20 H10  SING N N 91  
A1A8B C21 H11  SING N N 92  
A1A8B C22 H12  SING N N 93  
A1A8B C22 H13  SING N N 94  
A1A8B C24 H14  SING N N 95  
A1A8B C26 H15  SING N N 96  
A1A8B C28 H16  SING N N 97  
A1A8B C1  H17  SING N N 98  
A1A8B C2  H20  SING N N 99  
A1A8B C2  H21  SING N N 100 
A1A8B O2  H22  SING N N 101 
A1A8B C3  H23  SING N N 102 
A1A8B C9  H24  SING N N 103 
A1A8B C9  H25  SING N N 104 
A1A8B O9  H27  SING N N 105 
A1A8B O10 H28  SING N N 106 
A1A8B C11 H29  SING N N 107 
A1A8B O11 H30  SING N N 108 
A1A8B C12 H31  SING N N 109 
A1A8B O12 H32  SING N N 110 
A1A8B O13 H33  SING N N 111 
A1A8B C14 H34  SING N N 112 
A1A8B O14 H35  SING N N 113 
A1A8B C16 H36  SING N N 114 
A1A8B C18 H37  SING N N 115 
A1A8B C19 H38  SING N N 116 
A1A8B C19 H39  SING N N 117 
A1A8B O21 H40  SING N N 118 
A1A8B O22 H41  SING N N 119 
A1A8B C23 H42  SING N N 120 
A1A8B O23 H43  SING N N 121 
A1A8B C25 H44  SING N N 122 
A1A8B C25 H45  SING N N 123 
A1A8B O26 H46  SING N N 124 
A1A8B C27 H47  SING N N 125 
A1A8B O27 H48  SING N N 126 
A1A8B O28 H49  SING N N 127 
A1A8B C29 H50  SING N N 128 
A1A8B O29 H51  SING N N 129 
A1A8B C30 H52  SING N N 130 
A1A8B O30 H53  SING N N 131 
A1A8B C31 H54  SING N N 132 
A1A8B C31 H55  SING N N 133 
A1A8B O31 H56  SING N N 134 
A1A8B C32 H57  SING N N 135 
A1A8B O32 H58  SING N N 136 
A1A8B C33 H59  SING N N 137 
A1A8B O33 H60  SING N N 138 
A1A8B C34 H61  SING N N 139 
A1A8B O34 H62  SING N N 140 
A1A8B C35 H63  SING N N 141 
A1A8B O35 H64  SING N N 142 
A1A8B C36 H65  SING N N 143 
A1A8B C37 H66  SING N N 144 
A1A8B C38 H67  SING N N 145 
A1A8B C39 H68  SING N N 146 
A1A8B C40 H69  SING N N 147 
A1A8B C9  C41  SING N N 148 
A1A8B C41 C42  SING N N 149 
A1A8B C42 C43  SING N N 150 
A1A8B C43 C44  SING N N 151 
A1A8B C44 C45  SING N N 152 
A1A8B C45 C46  SING N N 153 
A1A8B C46 C47  SING N N 154 
A1A8B C47 C48  SING N N 155 
A1A8B C48 C49  SING N N 156 
A1A8B C49 C50  SING N N 157 
A1A8B C50 C51  SING N N 158 
A1A8B C51 C52  SING N N 159 
A1A8B C52 C53  SING N N 160 
A1A8B C53 C54  SING N N 161 
A1A8B C1  O38  SING N N 162 
A1A8B C1  C56  SING N N 163 
A1A8B C56 O36  SING N N 164 
A1A8B O36 C58  SING N N 165 
A1A8B C58 C57  SING N N 166 
A1A8B C57 C59  SING N N 167 
A1A8B C58 O37  DOUB N N 168 
A1A8B C59 C55  SING N N 169 
A1A8B C55 C60  SING N N 170 
A1A8B C60 C61  SING N N 171 
A1A8B C61 C62  SING N N 172 
A1A8B C62 C63  SING N N 173 
A1A8B C63 C64  SING N N 174 
A1A8B C64 C65  SING N N 175 
A1A8B C65 C66  SING N N 176 
A1A8B C66 C67  SING N N 177 
A1A8B C67 C68  SING N N 178 
A1A8B C68 C69  SING N N 179 
A1A8B C69 C70  SING N N 180 
A1A8B C70 C71  SING N N 181 
A1A8B O38 C72  SING N N 182 
A1A8B C72 C73  SING N N 183 
A1A8B C72 O39  DOUB N N 184 
A1A8B C73 C74  SING N N 185 
A1A8B C74 C75  SING N N 186 
A1A8B C75 C76  SING N N 187 
A1A8B C76 C77  SING N N 188 
A1A8B C77 C78  SING N N 189 
A1A8B C78 C79  SING N N 190 
A1A8B C79 C80  SING N N 191 
A1A8B C80 C81  SING N N 192 
A1A8B C81 C82  SING N N 193 
A1A8B C82 C83  SING N N 194 
A1A8B C83 C84  SING N N 195 
A1A8B C84 C85  SING N N 196 
A1A8B C85 C86  SING N N 197 
A1A8B C86 C87  SING N N 198 
A1A8B C87 C88  SING N N 199 
A1A8B C88 C89  SING N N 200 
A1A8B C81 C90  SING N N 201 
A1A8B C41 H18  SING N N 202 
A1A8B C41 H19  SING N N 203 
A1A8B C42 H26  SING N N 204 
A1A8B C42 H70  SING N N 205 
A1A8B C43 H71  SING N N 206 
A1A8B C43 H72  SING N N 207 
A1A8B C44 H73  SING N N 208 
A1A8B C44 H74  SING N N 209 
A1A8B C45 H75  SING N N 210 
A1A8B C45 H76  SING N N 211 
A1A8B C46 H77  SING N N 212 
A1A8B C46 H78  SING N N 213 
A1A8B C47 H79  SING N N 214 
A1A8B C47 H80  SING N N 215 
A1A8B C48 H81  SING N N 216 
A1A8B C48 H82  SING N N 217 
A1A8B C49 H83  SING N N 218 
A1A8B C49 H84  SING N N 219 
A1A8B C50 H85  SING N N 220 
A1A8B C50 H86  SING N N 221 
A1A8B C51 H87  SING N N 222 
A1A8B C51 H88  SING N N 223 
A1A8B C52 H89  SING N N 224 
A1A8B C52 H90  SING N N 225 
A1A8B C53 H91  SING N N 226 
A1A8B C53 H92  SING N N 227 
A1A8B C54 H93  SING N N 228 
A1A8B C54 H94  SING N N 229 
A1A8B C54 H95  SING N N 230 
A1A8B C56 H96  SING N N 231 
A1A8B C56 H97  SING N N 232 
A1A8B C57 H98  SING N N 233 
A1A8B C57 H99  SING N N 234 
A1A8B C59 H100 SING N N 235 
A1A8B C59 H101 SING N N 236 
A1A8B C55 H102 SING N N 237 
A1A8B C55 H103 SING N N 238 
A1A8B C60 H104 SING N N 239 
A1A8B C60 H105 SING N N 240 
# 
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 
A1A8B SMILES           ACDLabs              14.52 "CCCCCCCCC(C)CCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OC1C(OC2OC(COC3OC(COC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C(O)C1OC1OC(COC(=O)CCCCCCCCCCCCCCC)C(O)C(O)C1O"                                                                                                                                                                                                                                                                                                                                                                                                                                                       
A1A8B InChI            InChI                1.06  "InChI=1S/C90H165O39P/c1-5-8-11-14-17-19-21-23-25-27-29-35-40-45-62(93)115-50-56(120-64(95)47-42-37-32-31-34-39-44-55(4)43-38-33-16-13-10-7-3)51-119-130(113,114)129-85-82(126-88-80(111)72(103)67(98)59(124-88)52-116-63(94)46-41-36-30-28-26-24-22-20-18-15-12-9-6-2)76(107)74(105)77(108)83(85)127-89-81(112)73(104)69(100)61(125-89)53-117-86-78(109)71(102)68(99)60(123-86)54-118-90-84(75(106)66(97)58(49-92)122-90)128-87-79(110)70(101)65(96)57(48-91)121-87/h55-61,65-92,96-112H,5-54H2,1-4H3,(H,113,114)/t55?,56?,57-,58-,59+,60-,61-,65-,66-,67-,68-,69-,70+,71+,72+,73+,74-,75+,76-,77+,78+,79+,80+,81+,82-,83-,84+,85-,86-,87+,88-,89-,90+/m1/s1" 
A1A8B InChIKey         InChI                1.06  CVNNFCFROHYSER-GLBWEKRISA-N                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                    
A1A8B SMILES_CANONICAL CACTVS               3.385 "[C][C][C][C][C][C][C][C][C][C][C]CCCCC(=O)OCC(CO[P](O)(=O)O[C@H]1[C@H](O[C@H]2O[C@H](CO[C@@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O[C@H]6O[C@@H](COC(=O)CCCCCCCCCCCCCCC)[C@@H](O)[C@H](O)[C@@H]6O)OC(=O)[C][C][C][C][C][C][C][C][C]([C])[C][C][C][C][C][C][C][C]"                                                                                                                                                                                                                                                
A1A8B SMILES           CACTVS               3.385 "[C][C][C][C][C][C][C][C][C][C][C]CCCCC(=O)OCC(CO[P](O)(=O)O[CH]1[CH](O[CH]2O[CH](CO[CH]3O[CH](CO[CH]4O[CH](CO)[CH](O)[CH](O)[CH]4O[CH]5O[CH](CO)[CH](O)[CH](O)[CH]5O)[CH](O)[CH](O)[CH]3O)[CH](O)[CH](O)[CH]2O)[CH](O)[CH](O)[CH](O)[CH]1O[CH]6O[CH](COC(=O)CCCCCCCCCCCCCCC)[CH](O)[CH](O)[CH]6O)OC(=O)[C][C][C][C][C][C][C][C][C]([C])[C][C][C][C][C][C][C][C]"                                                                                                                                                                                                                                                                                              
A1A8B SMILES_CANONICAL "OpenEye OEToolkits" 2.0.7 "CCCCCCCCCCCCCCCC(=O)OC[C@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H]([C@@H]2OP(=O)(O)OCC(COC(=O)CCCC[C][C][C][C][C][C][C][C][C][C][C])OC(=O)[C][C][C][C][C][C][C][C][C]([C])[C][C][C][C][C][C][C][C])O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO[C@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O"                                                                                                                                                                                                                                           
A1A8B SMILES           "OpenEye OEToolkits" 2.0.7 "CCCCCCCCCCCCCCCC(=O)OCC1C(C(C(C(O1)OC2C(C(C(C(C2OP(=O)(O)OCC(COC(=O)CCCC[C][C][C][C][C][C][C][C][C][C][C])OC(=O)[C][C][C][C][C][C][C][C][C]([C])[C][C][C][C][C][C][C][C])OC3C(C(C(C(O3)COC4C(C(C(C(O4)COC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O"                                                                                                                                                                                                                                                                                                                                                                                   
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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 
A1A8B "SYSTEMATIC NAME" ACDLabs              14.52 "(2S)-1-{[(S)-{[(1S,2R,3R,4S,5S,6R)-2-[(6-O-hexadecanoyl-beta-L-gulopyranosyl)oxy]-3,4,5-trihydroxy-6-{[beta-D-mannopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->6)-beta-D-mannopyranosyl-(1->6)-alpha-D-mannopyranosyl]oxy}cyclohexyl]oxy}(hydroxy)phosphoryl]oxy}-3-(hexadecanoyloxy)propan-2-yl 10-methyloctadecanoate"                                                                                                                                                                                                                                                                         
A1A8B "SYSTEMATIC NAME" "OpenEye OEToolkits" 2.0.7 "[1-hexadecanoyloxy-3-[[(1~{S},2~{R},3~{R},4~{S},5~{S},6~{R})-2-[(2~{R},3~{S},4~{S},5~{S},6~{S})-6-(hexadecanoyloxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-[[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-[[(2~{S},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3-[(2~{S},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4,5-tris(oxidanyl)cyclohexyl]oxy-oxidanyl-phosphoryl]oxy-propan-2-yl] 10-methyloctadecanoate" 
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
A1A8B "Create component" 2024-09-19 RCSB 
A1A8B "Initial release"  2025-06-25 RCSB 
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