data_1O2 # _chem_comp.id 1O2 _chem_comp.name "(2S)-3-(alpha-D-galactopyranosyloxy)-2-(hexadecanoyloxy)propyl (9Z)-octadec-9-enoate" _chem_comp.type NON-POLYMER _chem_comp.pdbx_type HETAIN _chem_comp.formula "C43 H80 O10" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms "1-oleoyl,2-palmitoyl-3-O(alpha-D-galactopyranosyl)-sn-glycerol" _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 2009-08-10 _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 757.089 _chem_comp.one_letter_code ? _chem_comp.three_letter_code 1O2 _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 3ILQ _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 1O2 C1 C1 C 0 1 N N S -4.165 16.491 45.674 0.613 2.838 2.714 C1 1O2 1 1O2 O1 O1 O 0 1 N N N -4.319 15.192 45.047 0.152 2.935 1.365 O1 1O2 2 1O2 C2 C2 C 0 1 N N R -2.893 17.149 45.079 1.794 1.865 2.781 C2 1O2 3 1O2 O2 O2 O 0 1 N N N -2.901 17.142 43.636 2.831 2.311 1.905 O2 1O2 4 1O2 C3 C3 C 0 1 N N S -1.627 16.443 45.599 1.323 0.472 2.349 C3 1O2 5 1O2 O3 O3 O 0 1 N N N -0.470 17.172 45.162 2.400 -0.458 2.479 O3 1O2 6 1O2 C4 C4 C 0 1 N N R -1.639 16.268 47.150 0.160 0.038 3.246 C4 1O2 7 1O2 O4 O4 O 0 1 N N N -1.415 17.532 47.801 0.613 -0.068 4.597 O4 1O2 8 1O2 C5 C5 C 0 1 N N R -2.968 15.630 47.657 -0.957 1.081 3.161 C5 1O2 9 1O2 O5 O5 O 0 1 N N N -4.116 16.407 47.151 -0.445 2.359 3.546 O5 1O2 10 1O2 C6 C6 C 0 1 N N N -3.094 15.442 49.200 -2.098 0.685 4.101 C6 1O2 11 1O2 O6 O6 O 0 1 N N N -2.749 14.103 49.591 -3.189 1.594 3.935 O6 1O2 12 1O2 CAL CAL C 0 1 N N N -5.496 14.461 45.444 -0.798 3.981 1.149 CAL 1O2 13 1O2 CAM CAM C 0 1 N N S -5.260 13.124 44.793 -1.220 3.991 -0.322 CAM 1O2 14 1O2 OAN OAN O 0 1 N N N -5.261 13.286 43.353 -1.926 2.761 -0.631 OAN 1O2 15 1O2 CAO CAO C 0 1 N N N -4.046 13.281 42.712 -3.258 2.763 -0.460 CAO 1O2 16 1O2 OAP OAP O 0 1 N N N -3.055 12.751 43.198 -3.814 3.760 -0.065 OAP 1O2 17 1O2 CAQ CAQ C 0 1 N N N -3.916 13.886 41.330 -4.058 1.523 -0.762 CAQ 1O2 18 1O2 CAR CAR C 0 1 N N N -4.172 12.815 40.306 -5.539 1.792 -0.485 CAR 1O2 19 1O2 CAS CAS C 0 1 N N N -2.959 12.553 39.428 -6.352 0.532 -0.791 CAS 1O2 20 1O2 CAT CAT C 0 1 N N N -2.884 11.041 39.191 -7.832 0.801 -0.514 CAT 1O2 21 1O2 CAU CAU C 0 1 N N N -3.005 10.721 37.700 -8.645 -0.459 -0.820 CAU 1O2 22 1O2 CAV CAV C 0 1 N N N -1.737 10.055 37.168 -10.126 -0.190 -0.544 CAV 1O2 23 1O2 CAW CAW C 0 1 N N N -1.778 9.932 35.651 -10.939 -1.450 -0.849 CAW 1O2 24 1O2 CAX CAX C 0 1 N N N -0.366 9.714 35.106 -12.419 -1.181 -0.573 CAX 1O2 25 1O2 CAY CAY C 0 1 N N N -0.106 10.719 33.994 -13.232 -2.441 -0.879 CAY 1O2 26 1O2 CAZ CAZ C 0 1 N N N 0.438 10.108 32.695 -14.713 -2.172 -0.602 CAZ 1O2 27 1O2 CBA CBA C 0 1 N N N -0.154 10.851 31.485 -15.525 -3.432 -0.908 CBA 1O2 28 1O2 CBB CBB C 0 1 N N N 0.858 11.733 30.711 -17.006 -3.163 -0.631 CBB 1O2 29 1O2 CBC CBC C 0 1 N N N 1.108 13.115 31.339 -17.819 -4.423 -0.937 CBC 1O2 30 1O2 CBD CBD C 0 1 N N N 0.681 14.263 30.393 -19.299 -4.154 -0.661 CBD 1O2 31 1O2 CBE CBE C 0 1 N N N 1.743 15.354 30.194 -20.112 -5.414 -0.966 CBE 1O2 32 1O2 CBF CBF C 0 1 N N N -6.395 12.242 45.258 0.022 4.103 -1.208 CBF 1O2 33 1O2 OBG OBG O 0 1 N N N -6.142 10.847 44.902 0.949 3.034 -0.879 OBG 1O2 34 1O2 CBH CBH C 0 1 N N N -7.268 10.112 45.140 2.098 2.990 -1.572 CBH 1O2 35 1O2 OBI OBI O 0 1 N N N -8.089 10.537 45.965 2.322 3.816 -2.424 OBI 1O2 36 1O2 CBJ CBJ C 0 1 N N N -7.504 8.747 44.451 3.109 1.909 -1.286 CBJ 1O2 37 1O2 CBK CBK C 0 1 N N N -7.059 8.615 42.982 4.318 2.085 -2.207 CBK 1O2 38 1O2 CBL CBL C 0 1 N N N -7.989 7.616 42.279 5.344 0.988 -1.916 CBL 1O2 39 1O2 CBM CBM C 0 1 N N N -7.539 7.242 40.868 6.553 1.164 -2.837 CBM 1O2 40 1O2 CBN CBN C 0 1 N N N -8.613 6.393 40.178 7.579 0.067 -2.547 CBN 1O2 41 1O2 CBO CBO C 0 1 N N N -9.224 7.153 38.971 8.788 0.243 -3.467 CBO 1O2 42 1O2 CBP CBP C 0 1 N N N -10.603 6.620 38.457 9.814 -0.855 -3.177 CBP 1O2 43 1O2 CBQ CBQ C 0 1 N N N -11.177 7.493 37.514 11.005 -0.681 -4.084 CBQ 1O2 44 1O2 CBR CBR C 0 1 N N N -12.530 7.884 37.409 12.212 -0.633 -3.578 CBR 1O2 45 1O2 CBS CBS C 0 1 N N N -13.586 7.426 38.204 12.428 -0.920 -2.114 CBS 1O2 46 1O2 CBT CBT C 0 1 N N N -14.896 8.194 37.923 13.486 -2.014 -1.959 CBT 1O2 47 1O2 CBU CBU C 0 1 N N N -16.186 7.554 38.513 13.705 -2.306 -0.473 CBU 1O2 48 1O2 CBV CBV C 0 1 N N N -15.923 6.229 39.256 14.763 -3.399 -0.318 CBV 1O2 49 1O2 CBW CBW C 0 1 N N N -17.038 5.896 40.255 14.981 -3.691 1.168 CBW 1O2 50 1O2 CBX CBX C 0 1 N N N -17.191 4.379 40.437 16.040 -4.785 1.323 CBX 1O2 51 1O2 CBZ CBZ C 0 1 N N N -17.166 3.943 41.921 16.258 -5.076 2.809 CBZ 1O2 52 1O2 CCA CCA C 0 1 N N N -15.795 3.377 42.367 17.317 -6.170 2.964 CCA 1O2 53 1O2 H1 H1 H 0 1 N N N -5.046 17.114 45.459 0.932 3.820 3.060 H1 1O2 54 1O2 H2 H2 H 0 1 N N N -2.889 18.198 45.408 2.172 1.821 3.802 H2 1O2 55 1O2 HO2 HO2 H 0 1 N N N -2.108 17.552 43.312 3.173 3.190 2.117 HO2 1O2 56 1O2 H3 H3 H 0 1 N N N -1.599 15.426 45.180 0.991 0.505 1.312 H3 1O2 57 1O2 HO3 HO3 H 0 1 N N N 0.315 16.741 45.480 3.174 -0.240 1.942 HO3 1O2 58 1O2 H4 H4 H 0 1 N N N -0.821 15.579 47.406 -0.218 -0.928 2.911 H4 1O2 59 1O2 HO4 HO4 H 0 1 N N N -1.425 17.410 48.743 1.325 -0.709 4.725 HO4 1O2 60 1O2 H5 H5 H 0 1 N N N -2.960 14.607 47.254 -1.330 1.132 2.138 H5 1O2 61 1O2 H6 H6 H 0 1 N N N -2.413 16.146 49.701 -2.429 -0.326 3.864 H6 1O2 62 1O2 H6A H6A H 0 1 N N N -4.133 15.644 49.500 -1.748 0.721 5.132 H6A 1O2 63 1O2 HO6 HO6 H 0 1 N N N -2.834 14.016 50.533 -3.949 1.403 4.501 HO6 1O2 64 1O2 HAL HAL H 0 1 N N N -5.584 14.380 46.537 -1.673 3.812 1.777 HAL 1O2 65 1O2 HALA HALA H 0 0 N N N -6.421 14.938 45.087 -0.347 4.939 1.405 HALA 1O2 66 1O2 HAM HAM H 0 1 N N N -4.291 12.680 45.064 -1.875 4.843 -0.505 HAM 1O2 67 1O2 HAQ HAQ H 0 1 N N N -4.650 14.697 41.210 -3.928 1.252 -1.809 HAQ 1O2 68 1O2 HAQA HAQA H 0 0 N N N -2.902 14.292 41.197 -3.713 0.705 -0.129 HAQA 1O2 69 1O2 HAR HAR H 0 1 N N N -4.431 11.884 40.831 -5.670 2.063 0.562 HAR 1O2 70 1O2 HARA HARA H 0 0 N N N -5.005 13.137 39.664 -5.884 2.609 -1.118 HARA 1O2 71 1O2 HAS HAS H 0 1 N N N -3.063 13.083 38.470 -6.221 0.261 -1.838 HAS 1O2 72 1O2 HASA HASA H 0 0 N N N -2.045 12.904 39.929 -6.007 -0.286 -0.158 HASA 1O2 73 1O2 HAT HAT H 0 1 N N N -1.918 10.667 39.562 -7.963 1.072 0.533 HAT 1O2 74 1O2 HATA HATA H 0 0 N N N -3.707 10.551 39.732 -8.178 1.618 -1.147 HATA 1O2 75 1O2 HAU HAU H 0 1 N N N -3.854 10.038 37.551 -8.515 -0.730 -1.868 HAU 1O2 76 1O2 HAUA HAUA H 0 0 N N N -3.172 11.658 37.148 -8.300 -1.277 -0.187 HAUA 1O2 77 1O2 HAV HAV H 0 1 N N N -0.867 10.665 37.453 -10.256 0.081 0.504 HAV 1O2 78 1O2 HAVA HAVA H 0 0 N N N -1.652 9.049 37.605 -10.471 0.627 -1.176 HAVA 1O2 79 1O2 HAW HAW H 0 1 N N N -2.411 9.077 35.373 -10.808 -1.721 -1.897 HAW 1O2 80 1O2 HAWA HAWA H 0 0 N N N -2.195 10.855 35.222 -10.593 -2.267 -0.216 HAWA 1O2 81 1O2 HAX HAX H 0 1 N N N 0.368 9.857 35.913 -12.550 -0.910 0.475 HAX 1O2 82 1O2 HAXA HAXA H 0 0 N N N -0.276 8.692 34.709 -12.764 -0.364 -1.206 HAXA 1O2 83 1O2 HAY HAY H 0 1 N N N -1.060 11.215 33.759 -13.101 -2.712 -1.926 HAY 1O2 84 1O2 HAYA HAYA H 0 0 N N N 0.636 11.443 34.362 -12.887 -3.259 -0.246 HAYA 1O2 85 1O2 HAZ HAZ H 0 1 N N N 1.534 10.199 32.679 -14.843 -1.901 0.445 HAZ 1O2 86 1O2 HAZA HAZA H 0 0 N N N 0.156 9.046 32.645 -15.058 -1.355 -1.235 HAZA 1O2 87 1O2 HBA HBA H 0 1 N N N -0.546 10.097 30.786 -15.395 -3.703 -1.955 HBA 1O2 88 1O2 HBAA HBAA H 0 0 N N N -0.958 11.506 31.853 -15.180 -4.249 -0.275 HBAA 1O2 89 1O2 HBB HBB H 0 1 N N N 1.818 11.197 30.681 -17.137 -2.892 0.416 HBB 1O2 90 1O2 HBBA HBBA H 0 0 N N N 0.462 11.890 29.697 -17.351 -2.345 -1.264 HBBA 1O2 91 1O2 HBC HBC H 0 1 N N N 0.526 13.190 32.269 -17.688 -4.694 -1.985 HBC 1O2 92 1O2 HBCA HBCA H 0 0 N N N 2.182 13.216 31.553 -17.473 -5.240 -0.304 HBCA 1O2 93 1O2 HBD HBD H 0 1 N N N 0.461 13.824 29.409 -19.430 -3.883 0.387 HBD 1O2 94 1O2 HBDA HBDA H 0 0 N N N -0.213 14.738 30.823 -19.645 -3.336 -1.293 HBDA 1O2 95 1O2 HBE HBE H 0 1 N N N 1.355 16.124 29.511 -19.982 -5.685 -2.014 HBE 1O2 96 1O2 HBEA HBEA H 0 0 N N N 1.984 15.813 31.164 -19.767 -6.231 -0.334 HBEA 1O2 97 1O2 HBEB HBEB H 0 0 N N N 2.652 14.907 29.764 -21.167 -5.222 -0.769 HBEB 1O2 98 1O2 HBF HBF H 0 1 N N N -6.489 12.323 46.351 -0.270 4.021 -2.255 HBF 1O2 99 1O2 HBFA HBFA H 0 0 N N N -7.328 12.572 44.777 0.504 5.066 -1.039 HBFA 1O2 100 1O2 HBJ HBJ H 0 1 N N N -6.943 7.996 45.026 3.430 1.978 -0.247 HBJ 1O2 101 1O2 HBJA HBJA H 0 0 N N N -8.587 8.557 44.477 2.656 0.933 -1.462 HBJA 1O2 102 1O2 HBK HBK H 0 1 N N N -7.120 9.594 42.485 3.996 2.016 -3.246 HBK 1O2 103 1O2 HBKA HBKA H 0 0 N N N -6.021 8.252 42.938 4.770 3.061 -2.030 HBKA 1O2 104 1O2 HBL HBL H 0 1 N N N -8.020 6.696 42.882 5.665 1.057 -0.877 HBL 1O2 105 1O2 HBLA HBLA H 0 0 N N N -8.988 8.072 42.209 4.892 0.012 -2.093 HBLA 1O2 106 1O2 HBM HBM H 0 1 N N N -7.373 8.160 40.285 6.231 1.095 -3.876 HBM 1O2 107 1O2 HBMA HBMA H 0 0 N N N -6.604 6.666 40.927 7.005 2.140 -2.661 HBMA 1O2 108 1O2 HBN HBN H 0 1 N N N -8.156 5.459 39.820 7.900 0.135 -1.508 HBN 1O2 109 1O2 HBNA HBNA H 0 0 N N N -9.411 6.167 40.901 7.127 -0.909 -2.723 HBNA 1O2 110 1O2 HBO HBO H 0 1 N N N -9.370 8.199 39.280 8.467 0.174 -4.507 HBO 1O2 111 1O2 HBOA HBOA H 0 0 N N N -8.510 7.076 38.138 9.240 1.219 -3.291 HBOA 1O2 112 1O2 HBP HBP H 0 1 N N N -10.449 5.639 37.983 10.136 -0.786 -2.138 HBP 1O2 113 1O2 HBPA HBPA H 0 0 N N N -11.287 6.525 39.313 9.362 -1.831 -3.354 HBPA 1O2 114 1O2 HBQ HBQ H 0 1 N N N -10.502 7.914 36.783 10.863 -0.596 -5.152 HBQ 1O2 115 1O2 HBR HBR H 0 1 N N N -12.772 8.605 36.642 13.054 -0.388 -4.209 HBR 1O2 116 1O2 HBS HBS H 0 1 N N N -13.751 6.360 37.990 12.766 -0.014 -1.612 HBS 1O2 117 1O2 HBSA HBSA H 0 0 N N N -13.316 7.565 39.261 11.491 -1.255 -1.668 HBSA 1O2 118 1O2 HBT HBT H 0 1 N N N -14.793 9.197 38.363 13.148 -2.921 -2.461 HBT 1O2 119 1O2 HBTA HBTA H 0 0 N N N -15.022 8.246 36.831 14.423 -1.679 -2.405 HBTA 1O2 120 1O2 HBU HBU H 0 1 N N N -16.629 8.266 39.225 14.043 -1.399 0.029 HBU 1O2 121 1O2 HBUA HBUA H 0 0 N N N -16.880 7.352 37.684 12.768 -2.640 -0.027 HBUA 1O2 122 1O2 HBV HBV H 0 1 N N N -15.862 5.418 38.516 14.425 -4.306 -0.820 HBV 1O2 123 1O2 HBVA HBVA H 0 0 N N N -14.974 6.317 39.806 15.699 -3.065 -0.764 HBVA 1O2 124 1O2 HBW HBW H 0 1 N N N -16.791 6.347 41.227 15.320 -2.784 1.670 HBW 1O2 125 1O2 HBWA HBWA H 0 0 N N N -17.987 6.306 39.878 14.045 -4.026 1.614 HBWA 1O2 126 1O2 HBX HBX H 0 1 N N N -18.155 4.074 40.003 15.702 -5.691 0.821 HBX 1O2 127 1O2 HBXA HBXA H 0 0 N N N -16.358 3.883 39.917 16.976 -4.450 0.877 HBXA 1O2 128 1O2 HBZ HBZ H 0 1 N N N -17.395 4.822 42.542 16.597 -4.170 3.311 HBZ 1O2 129 1O2 HBZA HBZA H 0 0 N N N -17.925 3.159 42.063 15.322 -5.411 3.255 HBZA 1O2 130 1O2 HCA HCA H 0 1 N N N -15.845 3.087 43.427 17.472 -6.378 4.022 HCA 1O2 131 1O2 HCAA HCAA H 0 0 N N N -15.546 2.496 41.757 16.979 -7.077 2.462 HCAA 1O2 132 1O2 HCAB HCAB H 0 0 N N N -15.020 4.146 42.233 18.253 -5.836 2.517 HCAB 1O2 133 # # 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 1O2 O1 C1 SING N N 1 1O2 C2 C1 SING N N 2 1O2 C1 O5 SING N N 3 1O2 C1 H1 SING N N 4 1O2 O1 CAL SING N N 5 1O2 O2 C2 SING N N 6 1O2 C2 C3 SING N N 7 1O2 C2 H2 SING N N 8 1O2 O2 HO2 SING N N 9 1O2 O3 C3 SING N N 10 1O2 C3 C4 SING N N 11 1O2 C3 H3 SING N N 12 1O2 O3 HO3 SING N N 13 1O2 C4 C5 SING N N 14 1O2 C4 O4 SING N N 15 1O2 C4 H4 SING N N 16 1O2 O4 HO4 SING N N 17 1O2 O5 C5 SING N N 18 1O2 C5 C6 SING N N 19 1O2 C5 H5 SING N N 20 1O2 C6 O6 SING N N 21 1O2 C6 H6 SING N N 22 1O2 C6 H6A SING N N 23 1O2 O6 HO6 SING N N 24 1O2 CAM CAL SING N N 25 1O2 CAL HAL SING N N 26 1O2 CAL HALA SING N N 27 1O2 OAN CAM SING N N 28 1O2 CAM CBF SING N N 29 1O2 CAM HAM SING N N 30 1O2 CAO OAN SING N N 31 1O2 CAQ CAO SING N N 32 1O2 CAO OAP DOUB N N 33 1O2 CAR CAQ SING N N 34 1O2 CAQ HAQ SING N N 35 1O2 CAQ HAQA SING N N 36 1O2 CAS CAR SING N N 37 1O2 CAR HAR SING N N 38 1O2 CAR HARA SING N N 39 1O2 CAT CAS SING N N 40 1O2 CAS HAS SING N N 41 1O2 CAS HASA SING N N 42 1O2 CAU CAT SING N N 43 1O2 CAT HAT SING N N 44 1O2 CAT HATA SING N N 45 1O2 CAV CAU SING N N 46 1O2 CAU HAU SING N N 47 1O2 CAU HAUA SING N N 48 1O2 CAW CAV SING N N 49 1O2 CAV HAV SING N N 50 1O2 CAV HAVA SING N N 51 1O2 CAX CAW SING N N 52 1O2 CAW HAW SING N N 53 1O2 CAW HAWA SING N N 54 1O2 CAY CAX SING N N 55 1O2 CAX HAX SING N N 56 1O2 CAX HAXA SING N N 57 1O2 CAZ CAY SING N N 58 1O2 CAY HAY SING N N 59 1O2 CAY HAYA SING N N 60 1O2 CBA CAZ SING N N 61 1O2 CAZ HAZ SING N N 62 1O2 CAZ HAZA SING N N 63 1O2 CBB CBA SING N N 64 1O2 CBA HBA SING N N 65 1O2 CBA HBAA SING N N 66 1O2 CBB CBC SING N N 67 1O2 CBB HBB SING N N 68 1O2 CBB HBBA SING N N 69 1O2 CBD CBC SING N N 70 1O2 CBC HBC SING N N 71 1O2 CBC HBCA SING N N 72 1O2 CBE CBD SING N N 73 1O2 CBD HBD SING N N 74 1O2 CBD HBDA SING N N 75 1O2 CBE HBE SING N N 76 1O2 CBE HBEA SING N N 77 1O2 CBE HBEB SING N N 78 1O2 OBG CBF SING N N 79 1O2 CBF HBF SING N N 80 1O2 CBF HBFA SING N N 81 1O2 OBG CBH SING N N 82 1O2 CBJ CBH SING N N 83 1O2 CBH OBI DOUB N N 84 1O2 CBK CBJ SING N N 85 1O2 CBJ HBJ SING N N 86 1O2 CBJ HBJA SING N N 87 1O2 CBL CBK SING N N 88 1O2 CBK HBK SING N N 89 1O2 CBK HBKA SING N N 90 1O2 CBM CBL SING N N 91 1O2 CBL HBL SING N N 92 1O2 CBL HBLA SING N N 93 1O2 CBN CBM SING N N 94 1O2 CBM HBM SING N N 95 1O2 CBM HBMA SING N N 96 1O2 CBO CBN SING N N 97 1O2 CBN HBN SING N N 98 1O2 CBN HBNA SING N N 99 1O2 CBP CBO SING N N 100 1O2 CBO HBO SING N N 101 1O2 CBO HBOA SING N N 102 1O2 CBQ CBP SING N N 103 1O2 CBP HBP SING N N 104 1O2 CBP HBPA SING N N 105 1O2 CBR CBQ DOUB N N 106 1O2 CBQ HBQ SING N Z 107 1O2 CBR CBS SING N N 108 1O2 CBR HBR SING N N 109 1O2 CBT CBS SING N N 110 1O2 CBS HBS SING N N 111 1O2 CBS HBSA SING N N 112 1O2 CBT CBU SING N N 113 1O2 CBT HBT SING N N 114 1O2 CBT HBTA SING N N 115 1O2 CBU CBV SING N N 116 1O2 CBU HBU SING N N 117 1O2 CBU HBUA SING N N 118 1O2 CBV CBW SING N N 119 1O2 CBV HBV SING N N 120 1O2 CBV HBVA SING N N 121 1O2 CBW CBX SING N N 122 1O2 CBW HBW SING N N 123 1O2 CBW HBWA SING N N 124 1O2 CBX CBZ SING N N 125 1O2 CBX HBX SING N N 126 1O2 CBX HBXA SING N N 127 1O2 CBZ CCA SING N N 128 1O2 CBZ HBZ SING N N 129 1O2 CBZ HBZA SING N N 130 1O2 CCA HCA SING N N 131 1O2 CCA HCAA SING N N 132 1O2 CCA HCAB SING N N 133 # # 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 1O2 SMILES ACDLabs 11.02 "O=C(OCC(OC(=O)CCCCCCCCCCCCCCC)COC1OC(C(O)C(O)C1O)CO)CCCCCCC\C=C/CCCCCCCC" 1O2 SMILES_CANONICAL CACTVS 3.352 "CCCCCCCCCCCCCCCC(=O)O[C@@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)COC(=O)CCCCCCC\C=C/CCCCCCCC" 1O2 SMILES CACTVS 3.352 "CCCCCCCCCCCCCCCC(=O)O[CH](CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O)COC(=O)CCCCCCCC=CCCCCCCCC" 1O2 SMILES_CANONICAL "OpenEye OEToolkits" 1.7.0 "CCCCCCCCCCCCCCCC(=O)O[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)COC(=O)CCCCCCC/C=C\CCCCCCCC" 1O2 SMILES "OpenEye OEToolkits" 1.7.0 "CCCCCCCCCCCCCCCC(=O)OC(COC1C(C(C(C(O1)CO)O)O)O)COC(=O)CCCCCCCC=CCCCCCCCC" 1O2 InChI InChI 1.03 "InChI=1S/C43H80O10/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(45)50-34-36(35-51-43-42(49)41(48)40(47)37(33-44)53-43)52-39(46)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h17-18,36-37,40-44,47-49H,3-16,19-35H2,1-2H3/b18-17-/t36-,37-,40+,41+,42-,43+/m1/s1" 1O2 InChIKey InChI 1.03 JBZBYHKCRFIXBI-BNOJPGAFSA-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 1O2 "SYSTEMATIC NAME" ACDLabs 11.02 "(2S)-3-(alpha-D-galactopyranosyloxy)-2-(hexadecanoyloxy)propyl (9Z)-octadec-9-enoate" 1O2 "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.6.1 "[(2S)-2-hexadecanoyloxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-propyl] (Z)-octadec-9-enoate" # # loop_ _pdbx_chem_comp_audit.comp_id _pdbx_chem_comp_audit.action_type _pdbx_chem_comp_audit.date _pdbx_chem_comp_audit.processing_site 1O2 "Create component" 2009-08-10 RCSB 1O2 "Modify descriptor" 2011-06-04 RCSB 1O2 "Modify synonyms" 2020-06-05 PDBE # _pdbx_chem_comp_synonyms.ordinal 1 _pdbx_chem_comp_synonyms.comp_id 1O2 _pdbx_chem_comp_synonyms.name "1-oleoyl,2-palmitoyl-3-O(alpha-D-galactopyranosyl)-sn-glycerol" _pdbx_chem_comp_synonyms.provenance ? _pdbx_chem_comp_synonyms.type ? ##