data_ELM # _chem_comp.id ELM _chem_comp.name ;N-[(2S,3S,4R)-3,4-dihydroxy-8-oxo-8-[(6-phenylhexyl)amino]-1-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetra hydro-2H-pyran-2-yl]oxy}octan-2-yl]dodecanamide ; _chem_comp.type NON-POLYMER _chem_comp.pdbx_type HETAIN _chem_comp.formula "C38 H66 N2 O10" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms "aGSA[12,6P]" _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 2018-01-19 _chem_comp.pdbx_modified_date 2020-06-17 _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 710.938 _chem_comp.one_letter_code ? _chem_comp.three_letter_code ELM _chem_comp.pdbx_model_coordinates_details ? _chem_comp.pdbx_model_coordinates_missing_flag N _chem_comp.pdbx_ideal_coordinates_details Corina _chem_comp.pdbx_ideal_coordinates_missing_flag N _chem_comp.pdbx_model_coordinates_db_code 6C69 _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 ELM C1 C1 C 0 1 N N N -31.676 -5.617 -37.828 4.112 -0.751 0.132 C1 ELM 1 ELM O1 O1 O 0 1 N N N -33.876 -0.356 -35.675 -4.649 -0.520 0.995 O1 ELM 2 ELM O2 O2 O 0 1 N N N -35.742 -1.777 -39.962 0.283 0.581 0.336 O2 ELM 3 ELM C2 C2 C 0 1 N N N -30.643 -5.254 -36.765 5.066 -1.701 0.859 C2 ELM 4 ELM C3 C3 C 0 1 N N N -30.957 -3.936 -36.072 5.582 -2.755 -0.122 C3 ELM 5 ELM O3 O3 O 0 1 N N N -34.358 -2.486 -42.267 0.479 3.851 1.976 O3 ELM 6 ELM C4 C4 C 0 1 N N N -30.090 -3.817 -34.823 6.536 -3.705 0.605 C4 ELM 7 ELM C5 C5 C 0 1 N N N -29.792 -2.381 -34.412 7.051 -4.760 -0.376 C5 ELM 8 ELM C6 C6 C 0 1 N N N -30.973 -1.734 -33.699 8.006 -5.709 0.351 C6 ELM 9 ELM C7 C7 C 0 1 N N N -30.701 -0.289 -33.285 8.521 -6.764 -0.630 C7 ELM 10 ELM C8 C8 C 0 1 Y N N -38.548 7.290 -37.242 -15.194 -1.971 0.542 C8 ELM 11 ELM C9 C9 C 0 1 Y N N -38.888 8.490 -37.876 -16.160 -2.948 0.689 C9 ELM 12 ELM C10 C10 C 0 1 Y N N -38.530 9.707 -37.312 -16.407 -3.837 -0.341 C10 ELM 13 ELM C11 C11 C 0 1 Y N N -37.830 9.715 -36.112 -15.687 -3.747 -1.518 C11 ELM 14 ELM C12 C12 C 0 1 Y N N -37.484 8.545 -35.468 -14.721 -2.770 -1.665 C12 ELM 15 ELM C13 C13 C 0 1 Y N N -37.841 7.334 -36.034 -14.474 -1.882 -0.635 C13 ELM 16 ELM C14 C14 C 0 1 N N N -37.419 6.109 -35.258 -13.425 -0.812 -0.798 C14 ELM 17 ELM C15 C15 C 0 1 N N N -37.722 4.720 -35.729 -12.075 -1.343 -0.312 C15 ELM 18 ELM C16 C16 C 0 1 N N N -37.028 3.754 -34.784 -11.011 -0.257 -0.477 C16 ELM 19 ELM C17 C17 C 0 1 N N N -35.517 3.869 -34.906 -9.660 -0.789 0.009 C17 ELM 20 ELM C18 C18 C 0 1 N N N -34.826 2.631 -34.366 -8.596 0.298 -0.156 C18 ELM 21 ELM C21 C19 C 0 1 N N N -34.045 0.495 -36.533 -4.952 0.561 0.536 C21 ELM 22 ELM N1 N1 N 0 1 N N N -33.890 1.782 -36.348 -6.226 0.806 0.171 N1 ELM 23 ELM C19 C20 C 0 1 N N N -33.516 2.415 -35.105 -7.246 -0.234 0.329 C19 ELM 24 ELM C22 C21 C 0 1 N N N -34.427 0.090 -37.915 -3.903 1.631 0.373 C22 ELM 25 ELM C23 C22 C 0 1 N N N -33.167 -0.477 -38.544 -2.553 1.100 0.859 C23 ELM 26 ELM C24 C23 C 0 1 N N N -33.426 -1.036 -39.923 -1.488 2.186 0.694 C24 ELM 27 ELM C25 C24 C 0 1 N N R -34.385 -2.226 -39.879 -0.138 1.654 1.180 C25 ELM 28 ELM C26 C25 C 0 1 N N S -34.184 -3.194 -41.033 0.900 2.778 1.132 C26 ELM 29 ELM C27 C26 C 0 1 N N S -32.823 -3.899 -41.031 2.250 2.246 1.617 C27 ELM 30 ELM C28 C27 C 0 1 N N N -32.724 -4.921 -42.160 3.252 3.399 1.700 C28 ELM 31 ELM O4 O4 O 0 1 N N N -33.817 -5.827 -42.027 3.332 4.053 0.431 O4 ELM 32 ELM C31 C28 C 0 1 N N S -33.817 -6.985 -42.863 4.245 5.151 0.400 C31 ELM 33 ELM C32 C29 C 0 1 N N R -35.051 -7.811 -42.494 4.071 5.923 -0.910 C32 ELM 34 ELM O5 O5 O 0 1 N N N -36.214 -6.980 -42.546 2.717 6.366 -1.027 O5 ELM 35 ELM C33 C30 C 0 1 N N S -34.921 -8.413 -41.094 4.411 5.002 -2.086 C33 ELM 36 ELM O6 O6 O 0 1 N N N -36.036 -9.283 -40.852 4.321 5.735 -3.309 O6 ELM 37 ELM C34 C31 C 0 1 N N R -33.595 -9.160 -40.933 5.837 4.472 -1.909 C34 ELM 38 ELM O7 O7 O 0 1 N N N -33.630 -10.350 -41.728 6.760 5.563 -1.947 O7 ELM 39 ELM C30 C32 C 0 1 N N R -32.413 -8.273 -41.350 5.943 3.756 -0.560 C30 ELM 40 ELM C29 C33 C 0 1 N N N -31.062 -9.002 -41.276 7.381 3.276 -0.350 C29 ELM 41 ELM O8 O8 O 0 1 N N N -30.146 -8.538 -42.283 7.455 2.508 0.853 O8 ELM 42 ELM O9 O9 O 0 1 N N N -32.634 -7.774 -42.682 5.584 4.660 0.487 O9 ELM 43 ELM N2 N2 N 0 1 N N N -32.699 -4.652 -39.779 2.744 1.236 0.678 N2 ELM 44 ELM C20 C34 C 0 1 N N N -31.573 -4.764 -39.073 3.604 0.288 1.099 C20 ELM 45 ELM O O10 O 0 1 N N N -30.518 -4.241 -39.392 3.969 0.271 2.255 O ELM 46 ELM C40 C35 C 0 1 N N N -29.562 -0.161 -32.277 9.475 -7.714 0.097 C40 ELM 47 ELM C41 C36 C 0 1 N N N -28.290 0.407 -32.899 9.991 -8.768 -0.884 C41 ELM 48 ELM C42 C37 C 0 1 N N N -27.197 0.627 -31.854 10.945 -9.718 -0.156 C42 ELM 49 ELM C43 C38 C 0 1 N N N -27.208 2.013 -31.232 11.461 -10.773 -1.138 C43 ELM 50 ELM H1 H1 H 0 1 N N N -32.680 -5.489 -37.398 4.640 -0.260 -0.684 H1 ELM 51 ELM H2 H2 H 0 1 N N N -31.531 -6.670 -38.112 3.270 -1.317 -0.268 H2 ELM 52 ELM H3 H3 H 0 1 N N N -35.917 -1.165 -39.257 0.391 0.830 -0.593 H3 ELM 53 ELM H4 H4 H 0 1 N N N -30.619 -6.053 -36.009 5.907 -1.134 1.260 H4 ELM 54 ELM H5 H5 H 0 1 N N N -29.656 -5.174 -37.245 4.537 -2.192 1.676 H5 ELM 55 ELM H6 H6 H 0 1 N N N -30.741 -3.100 -36.753 4.740 -3.321 -0.522 H6 ELM 56 ELM H7 H7 H 0 1 N N N -32.019 -3.912 -35.788 6.110 -2.264 -0.938 H7 ELM 57 ELM H8 H8 H 0 1 N N N -35.202 -2.050 -42.266 0.297 3.586 2.888 H8 ELM 58 ELM H9 H9 H 0 1 N N N -30.611 -4.314 -33.991 7.377 -3.139 1.006 H9 ELM 59 ELM H10 H10 H 0 1 N N N -29.135 -4.328 -35.015 6.007 -4.196 1.422 H10 ELM 60 ELM H11 H11 H 0 1 N N N -28.924 -2.378 -33.736 6.210 -5.326 -0.776 H11 ELM 61 ELM H12 H12 H 0 1 N N N -29.557 -1.795 -35.313 7.580 -4.268 -1.192 H12 ELM 62 ELM H13 H13 H 0 1 N N N -31.841 -1.748 -34.375 8.847 -5.143 0.752 H13 ELM 63 ELM H14 H14 H 0 1 N N N -31.202 -2.320 -32.797 7.477 -6.201 1.168 H14 ELM 64 ELM H15 H15 H 0 1 N N N -30.441 0.290 -34.183 7.680 -7.330 -1.030 H15 ELM 65 ELM H16 H16 H 0 1 N N N -31.615 0.125 -32.835 9.050 -6.273 -1.446 H16 ELM 66 ELM H17 H17 H 0 1 N N N -38.827 6.342 -37.678 -15.005 -1.274 1.345 H17 ELM 67 ELM H18 H18 H 0 1 N N N -39.432 8.469 -38.809 -16.722 -3.018 1.609 H18 ELM 68 ELM H19 H19 H 0 1 N N N -38.792 10.635 -37.799 -17.161 -4.601 -0.226 H19 ELM 69 ELM H20 H20 H 0 1 N N N -37.550 10.661 -35.672 -15.880 -4.442 -2.322 H20 ELM 70 ELM H21 H21 H 0 1 N N N -36.942 8.574 -34.534 -14.159 -2.700 -2.585 H21 ELM 71 ELM H22 H22 H 0 1 N N N -36.325 6.168 -35.163 -13.350 -0.534 -1.849 H22 ELM 72 ELM H23 H23 H 0 1 N N N -37.879 6.203 -34.263 -13.704 0.063 -0.210 H23 ELM 73 ELM H24 H24 H 0 1 N N N -38.808 4.547 -35.712 -12.151 -1.621 0.739 H24 ELM 74 ELM H25 H25 H 0 1 N N N -37.344 4.580 -36.753 -11.797 -2.218 -0.900 H25 ELM 75 ELM H26 H26 H 0 1 N N N -37.325 3.985 -33.750 -10.935 0.021 -1.528 H26 ELM 76 ELM H27 H27 H 0 1 N N N -37.332 2.726 -35.032 -11.290 0.618 0.111 H27 ELM 77 ELM H28 H28 H 0 1 N N N -35.251 3.994 -35.966 -9.736 -1.066 1.060 H28 ELM 78 ELM H29 H29 H 0 1 N N N -35.177 4.747 -34.337 -9.382 -1.663 -0.579 H29 ELM 79 ELM H30 H30 H 0 1 N N N -35.477 1.756 -34.511 -8.520 0.575 -1.208 H30 ELM 80 ELM H31 H31 H 0 1 N N N -34.623 2.764 -33.293 -8.875 1.172 0.431 H31 ELM 81 ELM H32 H32 H 0 1 N N N -34.044 2.378 -37.136 -6.468 1.671 -0.196 H32 ELM 82 ELM H33 H33 H 0 1 N N N -32.847 1.763 -34.524 -7.321 -0.512 1.380 H33 ELM 83 ELM H34 H34 H 0 1 N N N -33.016 3.376 -35.295 -6.967 -1.109 -0.259 H34 ELM 84 ELM H35 H35 H 0 1 N N N -34.781 0.961 -38.485 -3.827 1.909 -0.678 H35 ELM 85 ELM H36 H36 H 0 1 N N N -35.217 -0.674 -37.885 -4.182 2.506 0.961 H36 ELM 86 ELM H37 H37 H 0 1 N N N -32.780 -1.282 -37.901 -2.628 0.822 1.910 H37 ELM 87 ELM H38 H38 H 0 1 N N N -32.417 0.324 -38.620 -2.274 0.225 0.271 H38 ELM 88 ELM H39 H39 H 0 1 N N N -32.471 -1.363 -40.360 -1.412 2.464 -0.357 H39 ELM 89 ELM H40 H40 H 0 1 N N N -33.865 -0.247 -40.551 -1.767 3.060 1.282 H40 ELM 90 ELM H41 H41 H 0 1 N N N -34.228 -2.767 -38.934 -0.236 1.294 2.204 H41 ELM 91 ELM H42 H42 H 0 1 N N N -34.960 -3.970 -40.957 0.998 3.138 0.108 H42 ELM 92 ELM H43 H43 H 0 1 N N N -32.016 -3.157 -41.123 2.130 1.798 2.603 H43 ELM 93 ELM H44 H44 H 0 1 N N N -31.773 -5.469 -42.086 2.924 4.113 2.456 H44 ELM 94 ELM H45 H45 H 0 1 N N N -32.778 -4.410 -43.133 4.233 3.009 1.970 H45 ELM 95 ELM H46 H46 H 0 1 N N N -33.904 -6.683 -43.917 4.046 5.814 1.242 H46 ELM 96 ELM H47 H47 H 0 1 N N N -35.149 -8.633 -43.218 4.739 6.785 -0.918 H47 ELM 97 ELM H48 H48 H 0 1 N N N -36.980 -7.492 -42.317 2.432 6.951 -0.311 H48 ELM 98 ELM H49 H49 H 0 1 N N N -34.938 -7.589 -40.366 3.711 4.166 -2.108 H49 ELM 99 ELM H50 H50 H 0 1 N N N -35.961 -9.660 -39.983 3.445 6.106 -3.482 H50 ELM 100 ELM H51 H51 H 0 1 N N N -33.472 -9.425 -39.873 6.068 3.772 -2.712 H51 ELM 101 ELM H52 H52 H 0 1 N N N -34.365 -10.889 -41.460 6.742 6.064 -2.773 H52 ELM 102 ELM H53 H53 H 0 1 N N N -32.372 -7.423 -40.653 5.269 2.900 -0.549 H53 ELM 103 ELM H54 H54 H 0 1 N N N -31.231 -10.080 -41.419 7.685 2.658 -1.194 H54 ELM 104 ELM H55 H55 H 0 1 N N N -30.618 -8.829 -40.285 8.044 4.137 -0.272 H55 ELM 105 ELM H56 H56 H 0 1 N N N -29.325 -9.010 -42.206 8.339 2.170 1.050 H56 ELM 106 ELM H57 H57 H 0 1 N N N -33.515 -5.113 -39.430 2.451 1.250 -0.247 H57 ELM 107 ELM H58 H58 H 0 1 N N N -29.885 0.506 -31.464 10.316 -7.147 0.498 H58 ELM 108 ELM H59 H59 H 0 1 N N N -29.340 -1.158 -31.868 8.947 -8.205 0.914 H59 ELM 109 ELM H60 H60 H 0 1 N N N -27.920 -0.297 -33.659 9.150 -9.334 -1.284 H60 ELM 110 ELM H61 H61 H 0 1 N N N -28.526 1.370 -33.376 10.520 -8.277 -1.700 H61 ELM 111 ELM H62 H62 H 0 1 N N N -27.331 -0.113 -31.052 11.786 -9.152 0.244 H62 ELM 112 ELM H63 H63 H 0 1 N N N -26.221 0.472 -32.336 10.417 -10.209 0.660 H63 ELM 113 ELM H64 H64 H 0 1 N N N -26.396 2.091 -30.494 11.990 -10.281 -1.954 H64 ELM 114 ELM H65 H65 H 0 1 N N N -27.063 2.769 -32.018 12.141 -11.449 -0.620 H65 ELM 115 ELM H66 H66 H 0 1 N N N -28.174 2.183 -30.733 10.620 -11.339 -1.538 H66 ELM 116 # # 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 ELM C31 O9 SING N N 1 ELM C31 C32 SING N N 2 ELM C31 O4 SING N N 3 ELM O9 C30 SING N N 4 ELM O5 C32 SING N N 5 ELM C32 C33 SING N N 6 ELM O8 C29 SING N N 7 ELM O3 C26 SING N N 8 ELM C28 O4 SING N N 9 ELM C28 C27 SING N N 10 ELM O7 C34 SING N N 11 ELM C30 C29 SING N N 12 ELM C30 C34 SING N N 13 ELM C33 C34 SING N N 14 ELM C33 O6 SING N N 15 ELM C26 C27 SING N N 16 ELM C26 C25 SING N N 17 ELM C27 N2 SING N N 18 ELM O2 C25 SING N N 19 ELM C24 C25 SING N N 20 ELM C24 C23 SING N N 21 ELM N2 C20 SING N N 22 ELM O C20 DOUB N N 23 ELM C20 C1 SING N N 24 ELM C23 C22 SING N N 25 ELM C22 C21 SING N N 26 ELM C9 C10 DOUB Y N 27 ELM C9 C8 SING Y N 28 ELM C1 C2 SING N N 29 ELM C10 C11 SING Y N 30 ELM C8 C13 DOUB Y N 31 ELM C2 C3 SING N N 32 ELM C21 N1 SING N N 33 ELM C21 O1 DOUB N N 34 ELM N1 C19 SING N N 35 ELM C11 C12 DOUB Y N 36 ELM C3 C4 SING N N 37 ELM C13 C12 SING Y N 38 ELM C13 C14 SING N N 39 ELM C15 C14 SING N N 40 ELM C15 C16 SING N N 41 ELM C19 C18 SING N N 42 ELM C17 C16 SING N N 43 ELM C17 C18 SING N N 44 ELM C4 C5 SING N N 45 ELM C5 C6 SING N N 46 ELM C6 C7 SING N N 47 ELM C7 C40 SING N N 48 ELM C41 C40 SING N N 49 ELM C41 C42 SING N N 50 ELM C42 C43 SING N N 51 ELM C1 H1 SING N N 52 ELM C1 H2 SING N N 53 ELM O2 H3 SING N N 54 ELM C2 H4 SING N N 55 ELM C2 H5 SING N N 56 ELM C3 H6 SING N N 57 ELM C3 H7 SING N N 58 ELM O3 H8 SING N N 59 ELM C4 H9 SING N N 60 ELM C4 H10 SING N N 61 ELM C5 H11 SING N N 62 ELM C5 H12 SING N N 63 ELM C6 H13 SING N N 64 ELM C6 H14 SING N N 65 ELM C7 H15 SING N N 66 ELM C7 H16 SING N N 67 ELM C8 H17 SING N N 68 ELM C9 H18 SING N N 69 ELM C10 H19 SING N N 70 ELM C11 H20 SING N N 71 ELM C12 H21 SING N N 72 ELM C14 H22 SING N N 73 ELM C14 H23 SING N N 74 ELM C15 H24 SING N N 75 ELM C15 H25 SING N N 76 ELM C16 H26 SING N N 77 ELM C16 H27 SING N N 78 ELM C17 H28 SING N N 79 ELM C17 H29 SING N N 80 ELM C18 H30 SING N N 81 ELM C18 H31 SING N N 82 ELM N1 H32 SING N N 83 ELM C19 H33 SING N N 84 ELM C19 H34 SING N N 85 ELM C22 H35 SING N N 86 ELM C22 H36 SING N N 87 ELM C23 H37 SING N N 88 ELM C23 H38 SING N N 89 ELM C24 H39 SING N N 90 ELM C24 H40 SING N N 91 ELM C25 H41 SING N N 92 ELM C26 H42 SING N N 93 ELM C27 H43 SING N N 94 ELM C28 H44 SING N N 95 ELM C28 H45 SING N N 96 ELM C31 H46 SING N N 97 ELM C32 H47 SING N N 98 ELM O5 H48 SING N N 99 ELM C33 H49 SING N N 100 ELM O6 H50 SING N N 101 ELM C34 H51 SING N N 102 ELM O7 H52 SING N N 103 ELM C30 H53 SING N N 104 ELM C29 H54 SING N N 105 ELM C29 H55 SING N N 106 ELM O8 H56 SING N N 107 ELM N2 H57 SING N N 108 ELM C40 H58 SING N N 109 ELM C40 H59 SING N N 110 ELM C41 H60 SING N N 111 ELM C41 H61 SING N N 112 ELM C42 H62 SING N N 113 ELM C42 H63 SING N N 114 ELM C43 H64 SING N N 115 ELM C43 H65 SING N N 116 ELM C43 H66 SING N N 117 # # 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 ELM SMILES ACDLabs 12.01 "C(CCCCCCCCCC)C(NC(C(O)C(O)CCCC(=O)NCCCCCCc1ccccc1)COC2OC(C(C(C2O)O)O)CO)=O" ELM InChI InChI 1.03 "InChI=1S/C38H66N2O10/c1-2-3-4-5-6-7-8-9-16-23-33(44)40-29(27-49-38-37(48)36(47)35(46)31(26-41)50-38)34(45)30(42)22-18-24-32(43)39-25-17-11-10-13-19-28-20-14-12-15-21-28/h12,14-15,20-21,29-31,34-38,41-42,45-48H,2-11,13,16-19,22-27H2,1H3,(H,39,43)(H,40,44)/t29-,30+,31+,34-,35-,36-,37+,38-/m0/s1" ELM InChIKey InChI 1.03 IUMALAAYPYPBAP-RYYFEHCXSA-N ELM SMILES_CANONICAL CACTVS 3.385 "CCCCCCCCCCCC(=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)CCCC(=O)NCCCCCCc2ccccc2" ELM SMILES CACTVS 3.385 "CCCCCCCCCCCC(=O)N[CH](CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O)[CH](O)[CH](O)CCCC(=O)NCCCCCCc2ccccc2" ELM SMILES_CANONICAL "OpenEye OEToolkits" 2.0.6 "CCCCCCCCCCCC(=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](CCCC(=O)NCCCCCCc2ccccc2)O)O" ELM SMILES "OpenEye OEToolkits" 2.0.6 "CCCCCCCCCCCC(=O)NC(COC1C(C(C(C(O1)CO)O)O)O)C(C(CCCC(=O)NCCCCCCc2ccccc2)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 ELM "SYSTEMATIC NAME" ACDLabs 12.01 "N-[(2S,3S,4R)-3,4-dihydroxy-8-oxo-8-[(6-phenylhexyl)amino]-1-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}octan-2-yl]dodecanamide (non-preferred name)" ELM "SYSTEMATIC NAME" "OpenEye OEToolkits" 2.0.6 "~{N}-[(2~{S},3~{S},4~{R})-1-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)-8-oxidanylidene-8-(6-phenylhexylamino)octan-2-yl]dodecanamide" # # loop_ _pdbx_chem_comp_audit.comp_id _pdbx_chem_comp_audit.action_type _pdbx_chem_comp_audit.date _pdbx_chem_comp_audit.processing_site ELM "Create component" 2018-01-19 RCSB ELM "Initial release" 2019-01-30 RCSB ELM "Modify synonyms" 2020-06-05 PDBE # _pdbx_chem_comp_synonyms.ordinal 1 _pdbx_chem_comp_synonyms.comp_id ELM _pdbx_chem_comp_synonyms.name "aGSA[12,6P]" _pdbx_chem_comp_synonyms.provenance ? _pdbx_chem_comp_synonyms.type ? ##