data_GSL # _chem_comp.id GSL _chem_comp.name "(2S,3R)-3-HYDROXY-2-(TETRADECANOYLAMINO)OCTADECYL ALPHA-D-GALACTOPYRANOSIDURONIC ACID" _chem_comp.type NON-POLYMER _chem_comp.pdbx_type HETAIN _chem_comp.formula "C38 H73 N O9" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms "(2S,3R)-N-MYRISTOYL-1-O-(ALPHA-D-GALACTURONOSYL)-2-N-OCTADECANE-3-OL" _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 2005-12-30 _chem_comp.pdbx_modified_date 2021-03-13 _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 687.988 _chem_comp.one_letter_code ? _chem_comp.three_letter_code GSL _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 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 GSL C17 C17 C 0 1 N N N 38.877 41.854 15.717 -17.261 -6.410 -1.067 C17 GSL 1 GSL C16 C16 C 0 1 N N N 38.410 43.242 16.168 -16.508 -5.086 -1.211 C16 GSL 2 GSL C15 C15 C 0 1 N N N 38.421 43.351 17.698 -15.077 -5.254 -0.696 C15 GSL 3 GSL C14 C14 C 0 1 N N N 38.006 44.744 18.177 -14.324 -3.930 -0.840 C14 GSL 4 GSL C13 C13 C 0 1 N N N 38.221 44.895 19.692 -12.893 -4.099 -0.325 C13 GSL 5 GSL C12 C12 C 0 1 N N N 37.346 45.983 20.329 -12.140 -2.775 -0.469 C12 GSL 6 GSL C11 C11 C 0 1 N N N 37.457 47.341 19.629 -10.709 -2.943 0.046 C11 GSL 7 GSL C10 C10 C 0 1 N N N 37.203 48.502 20.589 -9.956 -1.619 -0.098 C10 GSL 8 GSL C9 C9 C 0 1 N N N 35.950 49.264 20.146 -8.525 -1.788 0.417 C9 GSL 9 GSL C8 C8 C 0 1 N N N 36.178 50.773 20.134 -7.772 -0.464 0.273 C8 GSL 10 GSL C7 C7 C 0 1 N N N 34.929 51.497 19.620 -6.341 -0.632 0.787 C7 GSL 11 GSL C6 C6 C 0 1 N N N 35.115 51.971 18.174 -5.588 0.692 0.644 C6 GSL 12 GSL C5 C5 C 0 1 N N N 34.530 53.379 17.960 -4.157 0.523 1.158 C5 GSL 13 GSL C4 C4 C 0 1 N N N 34.720 53.857 16.512 -3.404 1.847 1.014 C4 GSL 14 GSL C3 C3 C 0 1 N N N 33.588 54.822 16.108 -1.973 1.679 1.529 C3 GSL 15 GSL C2 C2 C 0 1 N N R 34.032 55.929 15.138 -1.220 3.003 1.385 C2 GSL 16 GSL O O O 0 1 N N N 34.492 55.335 13.918 -1.815 3.984 2.237 O GSL 17 GSL C1 C1 C 0 1 N N S 32.851 56.879 14.844 0.244 2.803 1.783 C1 GSL 18 GSL C C C 0 1 N N N 32.984 57.657 13.516 0.985 4.138 1.690 C GSL 19 GSL O1 O1 O 0 1 N N N 34.057 58.620 13.550 0.831 4.678 0.375 O1 GSL 20 GSL C29 C29 C 0 1 N N S 34.029 59.582 12.450 1.541 5.918 0.352 C29 GSL 21 GSL O3 O3 O 0 1 N N N 32.767 60.312 12.376 2.943 5.662 0.416 O3 GSL 22 GSL C28 C28 C 0 1 N N S 32.415 61.027 13.627 3.258 4.728 -0.615 C28 GSL 23 GSL C34 C34 C 0 1 N N N 30.967 61.553 13.486 4.691 4.286 -0.468 C34 GSL 24 GSL O7 O7 O 0 1 N N N 30.547 61.899 12.345 5.184 3.328 -1.269 O7 GSL 25 GSL O6 O6 O 0 1 N N N 30.275 61.576 14.535 5.397 4.793 0.371 O6 GSL 26 GSL C33 C33 C 0 1 N N R 33.514 62.037 14.047 3.067 5.382 -1.985 C33 GSL 27 GSL O5 O5 O 0 1 N N N 33.444 63.202 13.219 3.906 6.535 -2.085 O5 GSL 28 GSL C32 C32 C 0 1 N N S 34.932 61.417 13.948 1.600 5.799 -2.139 C32 GSL 29 GSL O4 O4 O 0 1 N N N 35.950 62.423 14.108 1.437 6.543 -3.348 O4 GSL 30 GSL C30 C30 C 0 1 N N R 35.124 60.649 12.614 1.210 6.669 -0.940 C30 GSL 31 GSL O31 O31 O 0 1 N N N 36.414 60.044 12.548 -0.191 6.947 -0.986 O31 GSL 32 GSL N N N 0 1 N N N 32.642 57.812 15.969 0.868 1.834 0.878 N GSL 33 GSL C18 C18 C 0 1 N N N 31.417 58.160 16.368 1.937 1.122 1.286 C18 GSL 34 GSL O2 O2 O 0 1 N N N 30.389 57.740 15.829 2.382 1.283 2.403 O2 GSL 35 GSL C19 C19 C 0 1 N N N 31.369 59.138 17.564 2.578 0.126 0.355 C19 GSL 36 GSL C20 C20 C 0 1 N N N 30.341 58.775 18.664 3.762 -0.541 1.059 C20 GSL 37 GSL C21 C21 C 0 1 N N N 30.279 57.275 18.988 4.414 -1.553 0.114 C21 GSL 38 GSL C22 C22 C 0 1 N N N 30.262 56.967 20.492 5.597 -2.219 0.818 C22 GSL 39 GSL C23 C23 C 0 1 N N N 30.988 55.639 20.755 6.249 -3.231 -0.127 C23 GSL 40 GSL C24 C24 C 0 1 N N N 30.447 54.888 21.975 7.432 -3.897 0.577 C24 GSL 41 GSL C25 C25 C 0 1 N N N 29.046 54.319 21.718 8.084 -4.909 -0.368 C25 GSL 42 GSL C26 C26 C 0 1 N N N 28.653 53.292 22.777 9.268 -5.575 0.336 C26 GSL 43 GSL C27 C27 C 0 1 N N N 27.147 53.369 23.040 9.919 -6.587 -0.609 C27 GSL 44 GSL C38 C38 C 0 1 N N N 26.571 52.013 23.447 11.103 -7.254 0.095 C38 GSL 45 GSL C37 C37 C 0 1 N N N 26.264 51.147 22.225 11.754 -8.265 -0.850 C37 GSL 46 GSL C36 C36 C 0 1 N N N 25.220 51.798 21.322 12.938 -8.932 -0.147 C36 GSL 47 GSL C35 C35 C 0 1 N N N 24.650 50.771 20.358 13.589 -9.944 -1.092 C35 GSL 48 GSL H171 1H17 H 0 0 N N N 38.133 41.102 16.018 -17.284 -6.702 -0.017 H171 GSL 49 GSL H172 2H17 H 0 0 N N N 39.844 41.622 16.187 -18.280 -6.290 -1.434 H172 GSL 50 GSL H173 3H17 H 0 0 N N N 38.989 41.842 14.623 -16.754 -7.181 -1.647 H173 GSL 51 GSL H161 1H16 H 0 0 N N N 37.382 43.402 15.810 -16.484 -4.793 -2.261 H161 GSL 52 GSL H162 2H16 H 0 0 N N N 39.087 44.001 15.750 -17.014 -4.315 -0.630 H162 GSL 53 GSL H151 1H15 H 0 0 N N N 39.447 43.163 18.046 -15.100 -5.547 0.354 H151 GSL 54 GSL H152 2H15 H 0 0 N N N 37.715 42.614 18.108 -14.570 -6.025 -1.276 H152 GSL 55 GSL H141 1H14 H 0 0 N N N 36.937 44.885 17.959 -14.300 -3.638 -1.890 H141 GSL 56 GSL H142 2H14 H 0 0 N N N 38.613 45.497 17.653 -14.830 -3.159 -0.259 H142 GSL 57 GSL H131 1H13 H 0 0 N N N 39.270 45.190 19.844 -12.916 -4.391 0.725 H131 GSL 58 GSL H132 2H13 H 0 0 N N N 37.976 43.935 20.170 -12.386 -4.870 -0.906 H132 GSL 59 GSL H121 1H12 H 0 0 N N N 37.695 46.119 21.363 -12.116 -2.482 -1.519 H121 GSL 60 GSL H122 2H12 H 0 0 N N N 36.298 45.655 20.276 -12.646 -2.004 0.111 H122 GSL 61 GSL H111 1H11 H 0 0 N N N 36.695 47.380 18.837 -10.732 -3.236 1.096 H111 GSL 62 GSL H112 2H11 H 0 0 N N N 38.472 47.442 19.216 -10.202 -3.714 -0.535 H112 GSL 63 GSL H101 1H10 H 0 0 N N N 38.068 49.181 20.581 -9.932 -1.327 -1.148 H101 GSL 64 GSL H102 2H10 H 0 0 N N N 37.054 48.111 21.606 -10.462 -0.848 0.482 H102 GSL 65 GSL H91 1H9 H 0 1 N N N 35.144 49.045 20.862 -8.548 -2.080 1.466 H91 GSL 66 GSL H92 2H9 H 0 1 N N N 35.681 48.940 19.130 -8.018 -2.559 -0.164 H92 GSL 67 GSL H81 1H8 H 0 1 N N N 37.023 51.002 19.468 -7.748 -0.171 -0.777 H81 GSL 68 GSL H82 2H8 H 0 1 N N N 36.398 51.113 21.157 -8.278 0.307 0.853 H82 GSL 69 GSL H71 1H7 H 0 1 N N N 34.751 52.378 20.255 -6.365 -0.924 1.837 H71 GSL 70 GSL H72 2H7 H 0 1 N N N 34.075 50.805 19.660 -5.834 -1.403 0.207 H72 GSL 71 GSL H61 1H6 H 0 1 N N N 34.585 51.272 17.510 -5.564 0.984 -0.406 H61 GSL 72 GSL H62 2H6 H 0 1 N N N 36.191 51.996 17.945 -6.094 1.463 1.224 H62 GSL 73 GSL H51 1H5 H 0 1 N N N 35.059 54.077 18.626 -4.181 0.231 2.208 H51 GSL 74 GSL H52 2H5 H 0 1 N N N 33.454 53.353 18.186 -3.650 -0.248 0.578 H52 GSL 75 GSL H41 1H4 H 0 1 N N N 34.699 52.984 15.843 -3.380 2.140 -0.035 H41 GSL 76 GSL H42 2H4 H 0 1 N N N 35.685 54.379 16.429 -3.910 2.618 1.595 H42 GSL 77 GSL H31A 1H3 H 0 0 N N N 33.244 55.318 17.027 -1.997 1.387 2.579 H31A GSL 78 GSL H32A 2H3 H 0 0 N N N 32.799 54.234 15.616 -1.466 0.908 0.949 H32A GSL 79 GSL H2 H2 H 0 1 N N N 34.848 56.507 15.596 -1.273 3.340 0.350 H2 GSL 80 GSL HO HO H 0 1 N N N 34.594 56.009 13.256 -1.817 3.615 3.130 HO GSL 81 GSL H1 H1 H 0 1 N N N 31.969 56.232 14.729 0.295 2.430 2.806 H1 GSL 82 GSL H1A 1H H 0 1 N N N 32.044 58.204 13.350 0.571 4.835 2.419 H1A GSL 83 GSL H2A 2H H 0 1 N N N 33.185 56.938 12.708 2.043 3.982 1.896 H2A GSL 84 GSL H29 H29 H 0 1 N N N 34.179 58.980 11.542 1.243 6.522 1.209 H29 GSL 85 GSL H28 H28 H 0 1 N N N 32.402 60.357 14.500 2.602 3.862 -0.532 H28 GSL 86 GSL HO7 HO7 H 0 1 N N N 29.640 62.174 12.411 6.103 3.044 -1.175 HO7 GSL 87 GSL H33 H33 H 0 1 N N N 33.334 62.310 15.097 3.328 4.671 -2.768 H33 GSL 88 GSL HO5 HO5 H 0 1 N N N 33.428 63.979 13.765 4.817 6.228 -1.976 HO5 GSL 89 GSL H32 H32 H 0 1 N N N 35.032 60.693 14.770 0.969 4.911 -2.168 H32 GSL 90 GSL HO4 HO4 H 0 1 N N N 36.313 62.645 13.259 1.705 5.961 -4.072 HO4 GSL 91 GSL H30 H30 H 0 1 N N N 35.044 61.374 11.791 1.769 7.604 -0.971 H30 GSL 92 GSL H31 H31 H 0 1 N N N 36.655 59.909 11.639 -0.393 7.495 -0.216 H31 GSL 93 GSL HN HN H 0 1 N N N 33.437 58.192 16.443 0.511 1.705 -0.015 HN GSL 94 GSL H191 1H19 H 0 0 N N N 31.059 60.112 17.157 1.848 -0.633 0.076 H191 GSL 95 GSL H192 2H19 H 0 0 N N N 32.366 59.147 18.028 2.930 0.639 -0.540 H192 GSL 96 GSL H201 1H20 H 0 0 N N N 29.349 59.063 18.285 4.493 0.218 1.339 H201 GSL 97 GSL H202 2H20 H 0 0 N N N 30.623 59.310 19.583 3.411 -1.054 1.954 H202 GSL 98 GSL H211 1H21 H 0 0 N N N 31.190 56.817 18.575 3.683 -2.311 -0.165 H211 GSL 99 GSL H212 2H21 H 0 0 N N N 29.357 56.868 18.546 4.765 -1.040 -0.781 H212 GSL 100 GSL H221 1H22 H 0 0 N N N 29.220 56.888 20.837 6.328 -1.460 1.098 H221 GSL 101 GSL H222 2H22 H 0 0 N N N 30.771 57.776 21.037 5.246 -2.732 1.713 H222 GSL 102 GSL H231 1H23 H 0 0 N N N 32.044 55.875 20.955 5.518 -3.990 -0.406 H231 GSL 103 GSL H232 2H23 H 0 0 N N N 30.862 54.996 19.871 6.600 -2.718 -1.022 H232 GSL 104 GSL H241 1H24 H 0 0 N N N 30.381 55.597 22.813 8.163 -3.138 0.856 H241 GSL 105 GSL H242 2H24 H 0 0 N N N 31.128 54.056 22.208 7.081 -4.410 1.472 H242 GSL 106 GSL H251 1H25 H 0 0 N N N 29.051 53.819 20.738 7.353 -5.668 -0.648 H251 GSL 107 GSL H252 2H25 H 0 0 N N N 28.319 55.145 21.739 8.435 -4.396 -1.263 H252 GSL 108 GSL H261 1H26 H 0 0 N N N 29.196 53.505 23.709 9.998 -4.817 0.615 H261 GSL 109 GSL H262 2H26 H 0 0 N N N 28.910 52.284 22.420 8.916 -6.088 1.231 H262 GSL 110 GSL H271 1H27 H 0 0 N N N 26.652 53.686 22.110 9.188 -7.346 -0.889 H271 GSL 111 GSL H272 2H27 H 0 0 N N N 26.968 54.087 23.854 10.271 -6.074 -1.504 H272 GSL 112 GSL H381 1H38 H 0 0 N N N 25.633 52.185 23.995 11.834 -6.495 0.374 H381 GSL 113 GSL H382 2H38 H 0 0 N N N 27.306 51.490 24.077 10.751 -7.767 0.990 H382 GSL 114 GSL H371 1H37 H 0 0 N N N 25.864 50.184 22.576 11.023 -9.024 -1.130 H371 GSL 115 GSL H372 2H37 H 0 0 N N N 27.191 51.006 21.650 12.106 -7.752 -1.746 H372 GSL 116 GSL H361 1H36 H 0 0 N N N 25.695 52.607 20.747 13.669 -8.173 0.133 H361 GSL 117 GSL H362 2H36 H 0 0 N N N 24.407 52.204 21.942 12.586 -9.445 0.749 H362 GSL 118 GSL H351 1H35 H 0 0 N N N 23.680 50.414 20.734 14.433 -10.418 -0.590 H351 GSL 119 GSL H352 2H35 H 0 0 N N N 25.345 49.923 20.273 12.859 -10.702 -1.371 H352 GSL 120 GSL H353 3H35 H 0 0 N N N 24.512 51.232 19.369 13.941 -9.431 -1.987 H353 GSL 121 # # 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 GSL C17 C16 SING N N 1 GSL C17 H171 SING N N 2 GSL C17 H172 SING N N 3 GSL C17 H173 SING N N 4 GSL C16 C15 SING N N 5 GSL C16 H161 SING N N 6 GSL C16 H162 SING N N 7 GSL C15 C14 SING N N 8 GSL C15 H151 SING N N 9 GSL C15 H152 SING N N 10 GSL C14 C13 SING N N 11 GSL C14 H141 SING N N 12 GSL C14 H142 SING N N 13 GSL C13 C12 SING N N 14 GSL C13 H131 SING N N 15 GSL C13 H132 SING N N 16 GSL C12 C11 SING N N 17 GSL C12 H121 SING N N 18 GSL C12 H122 SING N N 19 GSL C11 C10 SING N N 20 GSL C11 H111 SING N N 21 GSL C11 H112 SING N N 22 GSL C10 C9 SING N N 23 GSL C10 H101 SING N N 24 GSL C10 H102 SING N N 25 GSL C9 C8 SING N N 26 GSL C9 H91 SING N N 27 GSL C9 H92 SING N N 28 GSL C8 C7 SING N N 29 GSL C8 H81 SING N N 30 GSL C8 H82 SING N N 31 GSL C7 C6 SING N N 32 GSL C7 H71 SING N N 33 GSL C7 H72 SING N N 34 GSL C6 C5 SING N N 35 GSL C6 H61 SING N N 36 GSL C6 H62 SING N N 37 GSL C5 C4 SING N N 38 GSL C5 H51 SING N N 39 GSL C5 H52 SING N N 40 GSL C4 C3 SING N N 41 GSL C4 H41 SING N N 42 GSL C4 H42 SING N N 43 GSL C3 C2 SING N N 44 GSL C3 H31A SING N N 45 GSL C3 H32A SING N N 46 GSL C2 O SING N N 47 GSL C2 C1 SING N N 48 GSL C2 H2 SING N N 49 GSL O HO SING N N 50 GSL C1 C SING N N 51 GSL C1 N SING N N 52 GSL C1 H1 SING N N 53 GSL C O1 SING N N 54 GSL C H1A SING N N 55 GSL C H2A SING N N 56 GSL O1 C29 SING N N 57 GSL C29 O3 SING N N 58 GSL C29 C30 SING N N 59 GSL C29 H29 SING N N 60 GSL O3 C28 SING N N 61 GSL C28 C34 SING N N 62 GSL C28 C33 SING N N 63 GSL C28 H28 SING N N 64 GSL C34 O7 SING N N 65 GSL C34 O6 DOUB N N 66 GSL O7 HO7 SING N N 67 GSL C33 O5 SING N N 68 GSL C33 C32 SING N N 69 GSL C33 H33 SING N N 70 GSL O5 HO5 SING N N 71 GSL C32 O4 SING N N 72 GSL C32 C30 SING N N 73 GSL C32 H32 SING N N 74 GSL O4 HO4 SING N N 75 GSL C30 O31 SING N N 76 GSL C30 H30 SING N N 77 GSL O31 H31 SING N N 78 GSL N C18 SING N N 79 GSL N HN SING N N 80 GSL C18 O2 DOUB N N 81 GSL C18 C19 SING N N 82 GSL C19 C20 SING N N 83 GSL C19 H191 SING N N 84 GSL C19 H192 SING N N 85 GSL C20 C21 SING N N 86 GSL C20 H201 SING N N 87 GSL C20 H202 SING N N 88 GSL C21 C22 SING N N 89 GSL C21 H211 SING N N 90 GSL C21 H212 SING N N 91 GSL C22 C23 SING N N 92 GSL C22 H221 SING N N 93 GSL C22 H222 SING N N 94 GSL C23 C24 SING N N 95 GSL C23 H231 SING N N 96 GSL C23 H232 SING N N 97 GSL C24 C25 SING N N 98 GSL C24 H241 SING N N 99 GSL C24 H242 SING N N 100 GSL C25 C26 SING N N 101 GSL C25 H251 SING N N 102 GSL C25 H252 SING N N 103 GSL C26 C27 SING N N 104 GSL C26 H261 SING N N 105 GSL C26 H262 SING N N 106 GSL C27 C38 SING N N 107 GSL C27 H271 SING N N 108 GSL C27 H272 SING N N 109 GSL C38 C37 SING N N 110 GSL C38 H381 SING N N 111 GSL C38 H382 SING N N 112 GSL C37 C36 SING N N 113 GSL C37 H371 SING N N 114 GSL C37 H372 SING N N 115 GSL C36 C35 SING N N 116 GSL C36 H361 SING N N 117 GSL C36 H362 SING N N 118 GSL C35 H351 SING N N 119 GSL C35 H352 SING N N 120 GSL C35 H353 SING N N 121 # # 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 GSL SMILES ACDLabs 10.04 "O=C(O)C1OC(OCC(NC(=O)CCCCCCCCCCCCC)C(O)CCCCCCCCCCCCCCC)C(O)C(O)C1O" GSL SMILES_CANONICAL CACTVS 3.341 "CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@H]1O[C@@H]([C@H](O)[C@H](O)[C@H]1O)C(O)=O)NC(=O)CCCCCCCCCCCCC" GSL SMILES CACTVS 3.341 "CCCCCCCCCCCCCCC[CH](O)[CH](CO[CH]1O[CH]([CH](O)[CH](O)[CH]1O)C(O)=O)NC(=O)CCCCCCCCCCCCC" GSL SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 "CCCCCCCCCCCCCCC[C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)C(=O)O)O)O)O)NC(=O)CCCCCCCCCCCCC)O" GSL SMILES "OpenEye OEToolkits" 1.5.0 "CCCCCCCCCCCCCCCC(C(COC1C(C(C(C(O1)C(=O)O)O)O)O)NC(=O)CCCCCCCCCCCCC)O" GSL InChI InChI 1.03 "InChI=1S/C38H73NO9/c1-3-5-7-9-11-13-15-16-18-19-21-23-25-27-31(40)30(29-47-38-35(44)33(42)34(43)36(48-38)37(45)46)39-32(41)28-26-24-22-20-17-14-12-10-8-6-4-2/h30-31,33-36,38,40,42-44H,3-29H2,1-2H3,(H,39,41)(H,45,46)/t30-,31+,33-,34+,35+,36-,38-/m0/s1" GSL InChIKey InChI 1.03 IRPOZWRRAFKYMQ-LMIAXWKISA-N # # 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 GSL "SYSTEMATIC NAME" ACDLabs 10.04 "(2S,3R)-3-hydroxy-2-(tetradecanoylamino)octadecyl alpha-D-galactopyranosiduronic acid" GSL "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 "(2S,3R,4S,5R,6S)-3,4,5-trihydroxy-6-[(2S,3R)-3-hydroxy-2-(tetradecanoylamino)octadecoxy]oxane-2-carboxylic acid" # # loop_ _pdbx_chem_comp_audit.comp_id _pdbx_chem_comp_audit.action_type _pdbx_chem_comp_audit.date _pdbx_chem_comp_audit.processing_site GSL "Create component" 2005-12-30 RCSB GSL "Modify descriptor" 2011-06-04 RCSB GSL "Modify synonyms" 2021-03-13 RCSB # _pdbx_chem_comp_synonyms.ordinal 1 _pdbx_chem_comp_synonyms.comp_id GSL _pdbx_chem_comp_synonyms.name "(2S,3R)-N-MYRISTOYL-1-O-(ALPHA-D-GALACTURONOSYL)-2-N-OCTADECANE-3-OL" _pdbx_chem_comp_synonyms.provenance PDB _pdbx_chem_comp_synonyms.type ? ##