data_GMM # _chem_comp.id GMM _chem_comp.name "GLUCOSE MONOMYCOLATE" _chem_comp.type NON-POLYMER _chem_comp.pdbx_type HETAIN _chem_comp.formula "C66 H126 O8" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms "6-O-[(23Z,33Z)-3-HYDROXY-2-OCTYLDOPENTACONTA-23,33-DIENOYL]-ALPHA-D-IDOPYRANOSE" _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 2006-10-19 _chem_comp.pdbx_modified_date 2020-06-17 _chem_comp.pdbx_ambiguous_flag ? _chem_comp.pdbx_release_status REL _chem_comp.pdbx_replaced_by ? _chem_comp.pdbx_replaces ? _chem_comp.formula_weight 1047.702 _chem_comp.one_letter_code ? _chem_comp.three_letter_code GMM _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 1UQS _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 GMM CAH CAH C 0 1 N N N -9.676 32.865 15.020 -11.571 -0.724 -14.040 CAH GMM 1 GMM CAI CAI C 0 1 N N N -8.441 32.517 14.120 -11.328 0.195 -12.852 CAI GMM 2 GMM CAJ CAJ C 0 1 N N N -8.786 31.743 12.800 -9.907 0.764 -12.805 CAJ GMM 3 GMM CAK CAK C 0 1 N N N -7.584 30.971 12.152 -9.616 1.672 -11.605 CAK GMM 4 GMM CAL CAL C 0 1 N N N -7.934 30.030 10.944 -8.173 2.171 -11.534 CAL GMM 5 GMM CAM CAM C 0 1 N N N -6.771 29.059 10.536 -7.887 3.044 -10.306 CAM GMM 6 GMM CAN CAN C 0 1 N N N -7.083 28.080 9.340 -6.421 3.473 -10.200 CAN GMM 7 GMM CAO CAO C 0 1 N N N -6.070 26.889 9.236 -6.132 4.345 -8.976 CAO GMM 8 GMM CAP CAP C 0 1 N N N -5.460 26.612 7.821 -4.671 4.760 -8.779 CAP GMM 9 GMM CAQ CAQ C 0 1 N N N -3.950 26.187 7.867 -4.429 5.652 -7.555 CAQ GMM 10 GMM CAR CAR C 0 1 N N N -3.021 27.358 8.316 -2.962 6.062 -7.406 CAR GMM 11 GMM CAS CAS C 0 1 N N N -1.587 26.988 8.784 -2.754 6.970 -6.190 CAS GMM 12 GMM CAT CAT C 0 1 N N N -1.036 28.115 9.717 -1.304 7.442 -6.038 CAT GMM 13 GMM CAU CAU C 0 1 N N N 0.271 27.814 10.500 -1.115 8.360 -4.830 CAU GMM 14 GMM CAV CAV C 0 1 N N N 0.641 28.943 11.493 0.329 8.838 -4.679 CAV GMM 15 GMM CAW CAW C 0 1 N N N 1.843 28.576 12.405 0.462 9.710 -3.429 CAW GMM 16 GMM CAX CAX C 0 1 N N N 2.184 29.604 13.538 1.892 10.208 -3.210 CAX GMM 17 GMM CAY CAY C 0 1 N N N 3.293 29.095 14.513 2.025 11.049 -1.934 CAY GMM 18 GMM CAZ CAZ C 0 1 N N N 3.745 30.084 15.395 3.425 11.535 -1.687 CAZ GMM 19 GMM CBA CBA C 0 1 N N N 4.487 29.929 16.596 4.335 10.834 -0.995 CBA GMM 20 GMM CBB CBB C 0 1 N N N 4.972 28.775 17.246 4.070 9.486 -0.387 CBB GMM 21 GMM CBC CBC C 0 1 N N N 4.379 28.665 18.675 3.504 9.565 1.036 CBC GMM 22 GMM CBD CBD C 0 1 N N N 4.986 27.594 19.629 3.230 8.183 1.640 CBD GMM 23 GMM CBE CBE C 0 1 N N N 4.002 27.249 20.798 2.686 8.287 3.065 CBE GMM 24 GMM CBF CBF C 0 1 N N N 4.537 26.320 21.924 2.405 6.921 3.700 CBF GMM 25 GMM CBG CBG C 0 1 N N N 5.630 27.026 22.760 1.875 7.010 5.134 CBG GMM 26 GMM CBH CBH C 0 1 N N N 6.084 26.311 24.066 1.619 5.614 5.714 CBH GMM 27 GMM CBI CBI C 0 1 N N N 7.000 27.261 24.891 1.102 5.644 7.156 CBI GMM 28 GMM CBJ CBJ C 0 1 N N N 7.213 26.863 26.218 2.022 6.313 8.139 CBJ GMM 29 GMM CBK CBK C 0 1 N N N 7.515 27.731 27.298 3.000 5.658 8.783 CBK GMM 30 GMM CBL CBL C 0 1 N N N 7.648 29.130 27.251 3.297 4.197 8.608 CBL GMM 31 GMM CBM CBM C 0 1 N N N 8.571 29.619 28.402 3.158 3.417 9.920 CBM GMM 32 GMM CBN CBN C 0 1 N N N 8.871 31.153 28.471 3.450 1.930 9.701 CBN GMM 33 GMM CBO CBO C 0 1 N N N 9.636 31.758 27.264 3.414 1.097 10.988 CBO GMM 34 GMM CBP CBP C 0 1 N N N 8.771 32.760 26.466 3.678 -0.391 10.750 CBP GMM 35 GMM CBQ CBQ C 0 1 N N N 9.545 33.227 25.228 3.532 -1.256 12.010 CBQ GMM 36 GMM CBR CBR C 0 1 N N N 8.667 33.707 24.053 3.884 -2.745 11.876 CBR GMM 37 GMM CBS CBS C 0 1 N N N 9.475 33.684 22.736 3.906 -3.545 13.186 CBS GMM 38 GMM CBT CBT C 0 1 N N N 8.655 34.176 21.547 2.623 -3.538 14.014 CBT GMM 39 GMM CBU CBU C 0 1 N N N 7.645 33.161 21.021 1.404 -4.092 13.273 CBU GMM 40 GMM CBV CBV C 0 1 N N N 6.544 33.831 20.188 0.151 -4.011 14.148 CBV GMM 41 GMM CBW CBW C 0 1 N N N 5.715 32.774 19.443 -1.088 -4.511 13.407 CBW GMM 42 GMM CBX CBX C 0 1 N N N 4.315 33.223 18.976 -2.366 -4.514 14.258 CBX GMM 43 GMM CBY CBY C 0 1 N N N 3.258 32.963 20.050 -3.599 -5.040 13.514 CBY GMM 44 GMM CBZ CBZ C 0 1 N N N 1.887 33.441 19.585 -4.863 -5.047 14.379 CBZ GMM 45 GMM CCA CCA C 0 1 N N N 0.920 33.510 20.776 -6.057 -5.616 13.609 CCA GMM 46 GMM CCB CCB C 0 1 N N N -0.401 34.182 20.388 -7.314 -5.636 14.476 CCB GMM 47 GMM CCC CCC C 0 1 N N N -1.554 33.856 21.349 -8.523 -6.164 13.704 CCC GMM 48 GMM CCD CCD C 0 1 N N N -2.828 33.842 20.498 -9.765 -6.207 14.602 CCD GMM 49 GMM CCE CCE C 0 1 N N R -4.093 33.299 21.203 -10.989 -6.767 13.867 CCE GMM 50 GMM OCF OCF O 0 1 N N N -4.518 34.338 22.130 -10.663 -8.057 13.354 OCF GMM 51 GMM CCG CCG C 0 1 N N R -5.224 32.949 20.149 -12.229 -6.836 14.787 CCG GMM 52 GMM CCH CCH C 0 1 N N N -4.710 32.043 18.956 -13.502 -7.339 14.080 CCH GMM 53 GMM CCI CCI C 0 1 N N N -5.756 31.848 17.815 -14.738 -7.447 14.987 CCI GMM 54 GMM CCJ CCJ C 0 1 N N N -5.316 30.940 16.640 -15.248 -6.128 15.576 CCJ GMM 55 GMM CCK CCK C 0 1 N N N -4.475 31.596 15.518 -16.522 -6.229 16.420 CCK GMM 56 GMM CCL CCL C 0 1 N N N -2.968 31.736 15.834 -16.933 -4.897 17.052 CCL GMM 57 GMM CCM CCM C 0 1 N N N -2.203 32.257 14.600 -18.208 -4.994 17.895 CCM GMM 58 GMM CCN CCN C 0 1 N N N -0.711 32.513 14.839 -18.576 -3.682 18.589 CCN GMM 59 GMM CCO CCO C 0 1 N N N -0.089 33.274 13.660 -19.846 -3.824 19.414 CCO GMM 60 GMM CCQ CCQ C 0 1 N N N -6.496 32.280 20.751 -11.901 -7.737 15.969 CCQ GMM 61 GMM OCR OCR O 0 1 N N N -6.825 31.190 20.285 -11.646 -8.931 15.876 OCR GMM 62 GMM OCS OCS O 0 1 N N N -7.299 32.878 21.728 -11.930 -7.012 17.124 OCS GMM 63 GMM CCT CCT C 0 1 N N N -8.510 32.064 22.087 -11.631 -7.738 18.320 CCT GMM 64 GMM CCU CCU C 0 1 N N S -9.553 32.667 23.107 -12.930 -8.303 18.897 CCU GMM 65 GMM OCV OCV O 0 1 N N N -9.367 32.084 24.488 -13.906 -7.276 19.091 OCV GMM 66 GMM CCW CCW C 0 1 N N R -10.407 32.489 25.520 -13.604 -6.356 20.139 CCW GMM 67 GMM OCX OCX O 0 1 N N N -10.105 33.814 26.086 -14.679 -5.425 20.280 OCX GMM 68 GMM CCY CCY C 0 1 N N R -11.916 32.375 25.038 -13.440 -7.078 21.476 CCY GMM 69 GMM OCZ OCZ O 0 1 N N N -12.369 31.000 25.088 -12.981 -6.136 22.446 OCZ GMM 70 GMM CDA CDA C 0 1 N N S -12.113 32.872 23.571 -12.439 -8.227 21.380 CDA GMM 71 GMM ODB ODB O 0 1 N N N -12.124 34.319 23.472 -12.531 -9.000 22.579 ODB GMM 72 GMM CDC CDC C 0 1 N N S -11.002 32.236 22.680 -12.754 -9.120 20.182 CDC GMM 73 GMM ODD ODD O 0 1 N N N -11.096 30.839 22.945 -11.717 -10.083 20.032 ODD GMM 74 GMM HAH1 1HAH H 0 0 N N N -9.431 33.415 15.958 -12.584 -1.135 -13.994 HAH1 GMM 75 GMM HAH2 2HAH H 0 0 N N N -10.256 31.942 15.254 -10.868 -1.564 -14.034 HAH2 GMM 76 GMM HAH3 3HAH H 0 0 N N N -10.437 33.427 14.430 -11.467 -0.201 -14.993 HAH3 GMM 77 GMM HAI1 1HAI H 0 0 N N N -7.680 31.955 14.710 -12.071 1.000 -12.840 HAI1 GMM 78 GMM HAI2 2HAI H 0 0 N N N -7.861 33.440 13.886 -11.492 -0.396 -11.942 HAI2 GMM 79 GMM HAJ1 1HAJ H 0 0 N N N -9.245 32.435 12.056 -9.211 -0.082 -12.739 HAJ1 GMM 80 GMM HAJ2 2HAJ H 0 0 N N N -9.641 31.049 12.973 -9.666 1.285 -13.739 HAJ2 GMM 81 GMM HAK1 1HAK H 0 0 N N N -7.041 30.392 12.936 -10.304 2.525 -11.632 HAK1 GMM 82 GMM HAK2 2HAK H 0 0 N N N -6.791 31.694 11.849 -9.849 1.112 -10.691 HAK2 GMM 83 GMM HAL1 1HAL H 0 0 N N N -8.271 30.629 10.066 -7.937 2.748 -12.436 HAL1 GMM 84 GMM HAL2 2HAL H 0 0 N N N -8.868 29.458 11.151 -7.490 1.314 -11.510 HAL2 GMM 85 GMM HAM1 1HAM H 0 0 N N N -6.432 28.477 11.425 -8.541 3.922 -10.331 HAM1 GMM 86 GMM HAM2 2HAM H 0 0 N N N -5.847 29.644 10.317 -8.162 2.473 -9.411 HAM2 GMM 87 GMM HAN1 1HAN H 0 0 N N N -7.140 28.637 8.376 -5.793 2.576 -10.131 HAN1 GMM 88 GMM HAN2 2HAN H 0 0 N N N -8.131 27.705 9.398 -6.109 4.000 -11.108 HAN2 GMM 89 GMM HAO1 1HAO H 0 0 N N N -6.543 25.959 9.629 -6.746 5.253 -9.035 HAO1 GMM 90 GMM HAO2 2HAO H 0 0 N N N -5.249 27.029 9.977 -6.471 3.807 -8.082 HAO2 GMM 91 GMM HAP1 1HAP H 0 0 N N N -5.604 27.490 7.149 -4.381 5.330 -9.670 HAP1 GMM 92 GMM HAP2 2HAP H 0 0 N N N -6.067 25.857 7.269 -4.018 3.880 -8.764 HAP2 GMM 93 GMM HAQ1 1HAQ H 0 0 N N N -3.621 25.763 6.890 -5.024 6.566 -7.680 HAQ1 GMM 94 GMM HAQ2 2HAQ H 0 0 N N N -3.804 25.287 8.509 -4.788 5.171 -6.638 HAQ2 GMM 95 GMM HAR1 1HAR H 0 0 N N N -3.530 27.950 9.113 -2.328 5.177 -7.300 HAR1 GMM 96 GMM HAR2 2HAR H 0 0 N N N -2.961 28.116 7.501 -2.650 6.573 -8.322 HAR2 GMM 97 GMM HAS1 1HAS H 0 0 N N N -0.905 26.779 7.927 -3.040 6.418 -5.285 HAS1 GMM 98 GMM HAS2 2HAS H 0 0 N N N -1.547 25.984 9.267 -3.417 7.841 -6.250 HAS2 GMM 99 GMM HAT1 1HAT H 0 0 N N N -1.833 28.426 10.432 -0.662 6.561 -5.919 HAT1 GMM 100 GMM HAT2 2HAT H 0 0 N N N -0.907 29.053 9.128 -0.982 7.951 -6.953 HAT2 GMM 101 GMM HAU1 1HAU H 0 0 N N N 1.115 27.599 9.804 -1.764 9.237 -4.920 HAU1 GMM 102 GMM HAU2 2HAU H 0 0 N N N 0.211 26.828 11.018 -1.417 7.828 -3.920 HAU2 GMM 103 GMM HAV1 1HAV H 0 0 N N N -0.243 29.244 12.101 0.622 9.412 -5.565 HAV1 GMM 104 GMM HAV2 2HAV H 0 0 N N N 0.827 29.902 10.955 1.005 7.978 -4.608 HAV2 GMM 105 GMM HAW1 1HAW H 0 0 N N N 2.747 28.386 11.781 -0.211 10.571 -3.515 HAW1 GMM 106 GMM HAW2 2HAW H 0 0 N N N 1.688 27.564 12.846 0.131 9.132 -2.558 HAW2 GMM 107 GMM HAX1 1HAX H 0 0 N N N 1.266 29.897 14.099 2.196 10.829 -4.062 HAX1 GMM 108 GMM HAX2 2HAX H 0 0 N N N 2.458 30.595 13.106 2.580 9.355 -3.175 HAX2 GMM 109 GMM HAY1 1HAY H 0 0 N N N 4.144 28.647 13.948 1.367 11.923 -2.010 HAY1 GMM 110 GMM HAY2 2HAY H 0 0 N N N 2.949 28.193 15.070 1.662 10.469 -1.076 HAY2 GMM 111 GMM HAZ HAZ H 0 1 N N N 3.491 31.122 15.120 3.692 12.501 -2.108 HAZ GMM 112 GMM HBA HBA H 0 1 N N N 4.725 30.875 17.110 5.313 11.278 -0.827 HBA GMM 113 GMM HBB1 1HBB H 0 0 N N N 6.087 28.743 17.257 4.996 8.899 -0.359 HBB1 GMM 114 GMM HBB2 2HBB H 0 0 N N N 4.785 27.853 16.648 3.368 8.942 -1.030 HBB2 GMM 115 GMM HBC1 1HBC H 0 0 N N N 3.277 28.513 18.605 4.232 10.088 1.669 HBC1 GMM 116 GMM HBC2 2HBC H 0 0 N N N 4.422 29.664 19.169 2.586 10.165 1.042 HBC2 GMM 117 GMM HBD1 1HBD H 0 0 N N N 5.984 27.908 20.014 2.504 7.646 1.023 HBD1 GMM 118 GMM HBD2 2HBD H 0 0 N N N 5.297 26.679 19.072 4.157 7.599 1.633 HBD2 GMM 119 GMM HBE1 1HBE H 0 0 N N N 3.063 26.820 20.378 1.747 8.854 3.046 HBE1 GMM 120 GMM HBE2 2HBE H 0 0 N N N 3.615 28.193 21.248 3.384 8.852 3.693 HBE2 GMM 121 GMM HBF1 1HBF H 0 0 N N N 4.898 25.347 21.516 1.660 6.406 3.079 HBF1 GMM 122 GMM HBF2 2HBF H 0 0 N N N 3.711 25.939 22.568 3.311 6.306 3.675 HBF2 GMM 123 GMM HBG1 1HBG H 0 0 N N N 5.306 28.066 22.997 0.944 7.590 5.135 HBG1 GMM 124 GMM HBG2 2HBG H 0 0 N N N 6.518 27.230 22.118 2.590 7.540 5.770 HBG2 GMM 125 GMM HBH1 1HBH H 0 0 N N N 6.573 25.330 23.860 0.865 5.105 5.101 HBH1 GMM 126 GMM HBH2 2HBH H 0 0 N N N 5.220 25.938 24.663 2.535 5.014 5.652 HBH2 GMM 127 GMM HBI1 1HBI H 0 0 N N N 6.606 28.303 24.858 0.135 6.160 7.182 HBI1 GMM 128 GMM HBI2 2HBI H 0 0 N N N 7.975 27.407 24.370 0.909 4.610 7.468 HBI2 GMM 129 GMM HBJ HBJ H 0 1 N N N 7.140 25.785 26.441 1.834 7.356 8.376 HBJ GMM 130 GMM HBK HBK H 0 1 N N N 7.662 27.257 28.283 3.671 6.216 9.432 HBK GMM 131 GMM HBL1 1HBL H 0 0 N N N 6.658 29.643 27.263 4.328 4.111 8.242 HBL1 GMM 132 GMM HBL2 2HBL H 0 0 N N N 8.003 29.482 26.254 2.649 3.753 7.843 HBL2 GMM 133 GMM HBM1 1HBM H 0 0 N N N 9.532 29.053 28.374 3.857 3.817 10.665 HBM1 GMM 134 GMM HBM2 2HBM H 0 0 N N N 8.159 29.277 29.380 2.146 3.552 10.319 HBM2 GMM 135 GMM HBN1 1HBN H 0 0 N N N 9.413 31.389 29.417 2.745 1.515 8.972 HBN1 GMM 136 GMM HBN2 2HBN H 0 0 N N N 7.922 31.715 28.636 4.451 1.825 9.265 HBN2 GMM 137 GMM HBO1 1HBO H 0 0 N N N 10.041 30.958 26.601 4.176 1.507 11.659 HBO1 GMM 138 GMM HBO2 2HBO H 0 0 N N N 10.596 32.223 27.588 2.448 1.229 11.489 HBO2 GMM 139 GMM HBP1 1HBP H 0 0 N N N 8.426 33.614 27.095 4.665 -0.519 10.302 HBP1 GMM 140 GMM HBP2 2HBP H 0 0 N N N 7.771 32.340 26.205 2.959 -0.766 10.011 HBP2 GMM 141 GMM HBQ1 1HBQ H 0 0 N N N 10.243 32.427 24.886 2.509 -1.158 12.392 HBQ1 GMM 142 GMM HBQ2 2HBQ H 0 0 N N N 10.279 34.018 25.508 4.184 -0.824 12.781 HBQ2 GMM 143 GMM HBR1 1HBR H 0 0 N N N 8.221 34.710 24.250 3.256 -3.243 11.133 HBR1 GMM 144 GMM HBR2 2HBR H 0 0 N N N 7.723 33.119 23.972 4.903 -2.797 11.470 HBR2 GMM 145 GMM HBS1 1HBS H 0 0 N N N 9.900 32.672 22.541 4.169 -4.584 12.951 HBS1 GMM 146 GMM HBS2 2HBS H 0 0 N N N 10.425 34.259 22.836 4.721 -3.160 13.813 HBS2 GMM 147 GMM HBT1 1HBT H 0 0 N N N 9.326 34.520 20.726 2.786 -4.145 14.914 HBT1 GMM 148 GMM HBT2 2HBT H 0 0 N N N 8.149 35.138 21.794 2.432 -2.525 14.376 HBT2 GMM 149 GMM HBU1 1HBU H 0 0 N N N 7.213 32.552 21.849 1.597 -5.131 12.981 HBU1 GMM 150 GMM HBU2 2HBU H 0 0 N N N 8.148 32.347 20.449 1.219 -3.531 12.353 HBU2 GMM 151 GMM HBV1 1HBV H 0 0 N N N 6.959 34.598 19.493 0.293 -4.593 15.066 HBV1 GMM 152 GMM HBV2 2HBV H 0 0 N N N 5.903 34.499 20.809 0.014 -2.965 14.439 HBV2 GMM 153 GMM HBW1 1HBW H 0 0 N N N 5.630 31.852 20.064 -1.255 -3.900 12.511 HBW1 GMM 154 GMM HBW2 2HBW H 0 0 N N N 6.295 32.379 18.577 -0.903 -5.534 13.056 HBW2 GMM 155 GMM HBX1 1HBX H 0 0 N N N 4.037 32.749 18.006 -2.181 -5.176 15.113 HBX1 GMM 156 GMM HBX2 2HBX H 0 0 N N N 4.315 34.290 18.653 -2.552 -3.516 14.672 HBX2 GMM 157 GMM HBY1 1HBY H 0 0 N N N 3.543 33.416 21.028 -3.405 -6.073 13.197 HBY1 GMM 158 GMM HBY2 2HBY H 0 0 N N N 3.239 31.892 20.360 -3.758 -4.463 12.596 HBY2 GMM 159 GMM HBZ1 1HBZ H 0 0 N N N 1.485 32.812 18.757 -5.107 -4.038 14.722 HBZ1 GMM 160 GMM HBZ2 2HBZ H 0 0 N N N 1.947 34.411 19.039 -4.681 -5.646 15.280 HBZ2 GMM 161 GMM HCA1 1HCA H 0 0 N N N 1.390 34.011 21.655 -6.241 -4.998 12.721 HCA1 GMM 162 GMM HCA2 2HCA H 0 0 N N N 0.750 32.502 21.222 -5.829 -6.630 13.259 HCA2 GMM 163 GMM HCB1 1HCB H 0 0 N N N -0.679 33.932 19.337 -7.139 -6.260 15.360 HCB1 GMM 164 GMM HCB2 2HCB H 0 0 N N N -0.270 35.285 20.287 -7.528 -4.621 14.831 HCB2 GMM 165 GMM HCC1 1HCC H 0 0 N N N -1.612 34.546 22.223 -8.712 -5.522 12.836 HCC1 GMM 166 GMM HCC2 2HCC H 0 0 N N N -1.397 32.916 21.928 -8.305 -7.169 13.323 HCC2 GMM 167 GMM HCD1 1HCD H 0 0 N N N -2.648 33.282 19.551 -9.973 -5.189 14.952 HCD1 GMM 168 GMM HCD2 2HCD H 0 0 N N N -3.026 34.861 20.090 -9.550 -6.824 15.482 HCD2 GMM 169 GMM HCE HCE H 0 1 N N N -3.828 32.380 21.777 -11.199 -6.123 13.006 HCE GMM 170 GMM HCF HCF H 0 1 N N N -5.295 34.005 22.563 -9.844 -8.330 13.794 HCF GMM 171 GMM HCG HCG H 0 1 N N N -5.552 33.915 19.699 -12.410 -5.828 15.179 HCG GMM 172 GMM HCH1 1HCH H 0 0 N N N -4.357 31.056 19.337 -13.737 -6.690 13.230 HCH1 GMM 173 GMM HCH2 2HCH H 0 0 N N N -3.752 32.440 18.546 -13.322 -8.337 13.659 HCH2 GMM 174 GMM HCI1 1HCI H 0 0 N N N -6.081 32.841 17.425 -14.521 -8.132 15.816 HCI1 GMM 175 GMM HCI2 2HCI H 0 0 N N N -6.717 31.476 18.242 -15.544 -7.925 14.417 HCI2 GMM 176 GMM HCJ1 1HCJ H 0 0 N N N -6.213 30.450 16.194 -15.419 -5.408 14.767 HCJ1 GMM 177 GMM HCJ2 2HCJ H 0 0 N N N -4.773 30.052 17.040 -14.449 -5.697 16.193 HCJ2 GMM 178 GMM HCK1 1HCK H 0 0 N N N -4.905 32.587 15.242 -17.320 -6.590 15.763 HCK1 GMM 179 GMM HCK2 2HCK H 0 0 N N N -4.619 31.049 14.557 -16.398 -6.983 17.204 HCK2 GMM 180 GMM HCL1 1HCL H 0 0 N N N -2.535 30.783 16.218 -17.066 -4.138 16.272 HCL1 GMM 181 GMM HCL2 2HCL H 0 0 N N N -2.790 32.373 16.731 -16.128 -4.543 17.706 HCL2 GMM 182 GMM HCM1 1HCM H 0 0 N N N -2.694 33.173 14.197 -18.049 -5.765 18.659 HCM1 GMM 183 GMM HCM2 2HCM H 0 0 N N N -2.345 31.567 13.736 -19.041 -5.336 17.269 HCM2 GMM 184 GMM HCN1 1HCN H 0 0 N N N -0.161 31.568 15.055 -18.726 -2.887 17.852 HCN1 GMM 185 GMM HCN2 2HCN H 0 0 N N N -0.533 33.037 15.807 -17.757 -3.365 19.245 HCN2 GMM 186 GMM HCO1 1HCO H 0 0 N N N 0.997 33.460 13.834 -20.100 -2.869 19.885 HCO1 GMM 187 GMM HCO2 2HCO H 0 0 N N N -0.639 34.219 13.444 -20.690 -4.129 18.788 HCO2 GMM 188 GMM HCO3 3HCO H 0 0 N N N -0.267 32.750 12.692 -19.717 -4.567 20.206 HCO3 GMM 189 GMM HCT1 1HCT H 0 0 N N N -8.177 31.066 22.458 -10.936 -8.547 18.076 HCT1 GMM 190 GMM HCT2 2HCT H 0 0 N N N -9.044 31.779 21.151 -11.156 -7.060 19.035 HCT2 GMM 191 GMM HCU HCU H 0 1 N N N -9.470 33.778 23.138 -13.332 -8.973 18.127 HCU GMM 192 GMM HCW HCW H 0 1 N N N -10.300 31.766 26.362 -12.713 -5.774 19.883 HCW GMM 193 GMM HCX HCX H 0 1 N N N -10.755 34.067 26.731 -15.497 -5.939 20.196 HCX GMM 194 GMM HCY HCY H 0 1 N N N -12.556 32.989 25.714 -14.409 -7.449 21.833 HCY GMM 195 GMM HCZ HCZ H 0 1 N N N -13.272 30.932 24.800 -12.158 -5.762 22.097 HCZ GMM 196 GMM HDA HDA H 0 1 N N N -13.099 32.496 23.211 -11.410 -7.853 21.335 HDA GMM 197 GMM HDB HDB H 0 1 N N N -12.801 34.706 24.015 -13.475 -9.154 22.732 HDB GMM 198 GMM HDC HDC H 0 1 N N N -11.182 32.452 21.601 -13.678 -9.674 20.388 HDC GMM 199 GMM HDD HDD H 0 1 N N N -11.972 30.578 22.687 -11.358 -9.968 19.138 HDD GMM 200 # # 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 GMM CAH CAI SING N N 1 GMM CAH HAH1 SING N N 2 GMM CAH HAH2 SING N N 3 GMM CAH HAH3 SING N N 4 GMM CAI CAJ SING N N 5 GMM CAI HAI1 SING N N 6 GMM CAI HAI2 SING N N 7 GMM CAJ CAK SING N N 8 GMM CAJ HAJ1 SING N N 9 GMM CAJ HAJ2 SING N N 10 GMM CAK CAL SING N N 11 GMM CAK HAK1 SING N N 12 GMM CAK HAK2 SING N N 13 GMM CAL CAM SING N N 14 GMM CAL HAL1 SING N N 15 GMM CAL HAL2 SING N N 16 GMM CAM CAN SING N N 17 GMM CAM HAM1 SING N N 18 GMM CAM HAM2 SING N N 19 GMM CAN CAO SING N N 20 GMM CAN HAN1 SING N N 21 GMM CAN HAN2 SING N N 22 GMM CAO CAP SING N N 23 GMM CAO HAO1 SING N N 24 GMM CAO HAO2 SING N N 25 GMM CAP CAQ SING N N 26 GMM CAP HAP1 SING N N 27 GMM CAP HAP2 SING N N 28 GMM CAQ CAR SING N N 29 GMM CAQ HAQ1 SING N N 30 GMM CAQ HAQ2 SING N N 31 GMM CAR CAS SING N N 32 GMM CAR HAR1 SING N N 33 GMM CAR HAR2 SING N N 34 GMM CAS CAT SING N N 35 GMM CAS HAS1 SING N N 36 GMM CAS HAS2 SING N N 37 GMM CAT CAU SING N N 38 GMM CAT HAT1 SING N N 39 GMM CAT HAT2 SING N N 40 GMM CAU CAV SING N N 41 GMM CAU HAU1 SING N N 42 GMM CAU HAU2 SING N N 43 GMM CAV CAW SING N N 44 GMM CAV HAV1 SING N N 45 GMM CAV HAV2 SING N N 46 GMM CAW CAX SING N N 47 GMM CAW HAW1 SING N N 48 GMM CAW HAW2 SING N N 49 GMM CAX CAY SING N N 50 GMM CAX HAX1 SING N N 51 GMM CAX HAX2 SING N N 52 GMM CAY CAZ SING N N 53 GMM CAY HAY1 SING N N 54 GMM CAY HAY2 SING N N 55 GMM CAZ CBA DOUB N Z 56 GMM CAZ HAZ SING N N 57 GMM CBA CBB SING N N 58 GMM CBA HBA SING N N 59 GMM CBB CBC SING N N 60 GMM CBB HBB1 SING N N 61 GMM CBB HBB2 SING N N 62 GMM CBC CBD SING N N 63 GMM CBC HBC1 SING N N 64 GMM CBC HBC2 SING N N 65 GMM CBD CBE SING N N 66 GMM CBD HBD1 SING N N 67 GMM CBD HBD2 SING N N 68 GMM CBE CBF SING N N 69 GMM CBE HBE1 SING N N 70 GMM CBE HBE2 SING N N 71 GMM CBF CBG SING N N 72 GMM CBF HBF1 SING N N 73 GMM CBF HBF2 SING N N 74 GMM CBG CBH SING N N 75 GMM CBG HBG1 SING N N 76 GMM CBG HBG2 SING N N 77 GMM CBH CBI SING N N 78 GMM CBH HBH1 SING N N 79 GMM CBH HBH2 SING N N 80 GMM CBI CBJ SING N N 81 GMM CBI HBI1 SING N N 82 GMM CBI HBI2 SING N N 83 GMM CBJ CBK DOUB N Z 84 GMM CBJ HBJ SING N N 85 GMM CBK CBL SING N N 86 GMM CBK HBK SING N N 87 GMM CBL CBM SING N N 88 GMM CBL HBL1 SING N N 89 GMM CBL HBL2 SING N N 90 GMM CBM CBN SING N N 91 GMM CBM HBM1 SING N N 92 GMM CBM HBM2 SING N N 93 GMM CBN CBO SING N N 94 GMM CBN HBN1 SING N N 95 GMM CBN HBN2 SING N N 96 GMM CBO CBP SING N N 97 GMM CBO HBO1 SING N N 98 GMM CBO HBO2 SING N N 99 GMM CBP CBQ SING N N 100 GMM CBP HBP1 SING N N 101 GMM CBP HBP2 SING N N 102 GMM CBQ CBR SING N N 103 GMM CBQ HBQ1 SING N N 104 GMM CBQ HBQ2 SING N N 105 GMM CBR CBS SING N N 106 GMM CBR HBR1 SING N N 107 GMM CBR HBR2 SING N N 108 GMM CBS CBT SING N N 109 GMM CBS HBS1 SING N N 110 GMM CBS HBS2 SING N N 111 GMM CBT CBU SING N N 112 GMM CBT HBT1 SING N N 113 GMM CBT HBT2 SING N N 114 GMM CBU CBV SING N N 115 GMM CBU HBU1 SING N N 116 GMM CBU HBU2 SING N N 117 GMM CBV CBW SING N N 118 GMM CBV HBV1 SING N N 119 GMM CBV HBV2 SING N N 120 GMM CBW CBX SING N N 121 GMM CBW HBW1 SING N N 122 GMM CBW HBW2 SING N N 123 GMM CBX CBY SING N N 124 GMM CBX HBX1 SING N N 125 GMM CBX HBX2 SING N N 126 GMM CBY CBZ SING N N 127 GMM CBY HBY1 SING N N 128 GMM CBY HBY2 SING N N 129 GMM CBZ CCA SING N N 130 GMM CBZ HBZ1 SING N N 131 GMM CBZ HBZ2 SING N N 132 GMM CCA CCB SING N N 133 GMM CCA HCA1 SING N N 134 GMM CCA HCA2 SING N N 135 GMM CCB CCC SING N N 136 GMM CCB HCB1 SING N N 137 GMM CCB HCB2 SING N N 138 GMM CCC CCD SING N N 139 GMM CCC HCC1 SING N N 140 GMM CCC HCC2 SING N N 141 GMM CCD CCE SING N N 142 GMM CCD HCD1 SING N N 143 GMM CCD HCD2 SING N N 144 GMM CCE OCF SING N N 145 GMM CCE CCG SING N N 146 GMM CCE HCE SING N N 147 GMM OCF HCF SING N N 148 GMM CCG CCH SING N N 149 GMM CCG CCQ SING N N 150 GMM CCG HCG SING N N 151 GMM CCH CCI SING N N 152 GMM CCH HCH1 SING N N 153 GMM CCH HCH2 SING N N 154 GMM CCI CCJ SING N N 155 GMM CCI HCI1 SING N N 156 GMM CCI HCI2 SING N N 157 GMM CCJ CCK SING N N 158 GMM CCJ HCJ1 SING N N 159 GMM CCJ HCJ2 SING N N 160 GMM CCK CCL SING N N 161 GMM CCK HCK1 SING N N 162 GMM CCK HCK2 SING N N 163 GMM CCL CCM SING N N 164 GMM CCL HCL1 SING N N 165 GMM CCL HCL2 SING N N 166 GMM CCM CCN SING N N 167 GMM CCM HCM1 SING N N 168 GMM CCM HCM2 SING N N 169 GMM CCN CCO SING N N 170 GMM CCN HCN1 SING N N 171 GMM CCN HCN2 SING N N 172 GMM CCO HCO1 SING N N 173 GMM CCO HCO2 SING N N 174 GMM CCO HCO3 SING N N 175 GMM CCQ OCR DOUB N N 176 GMM CCQ OCS SING N N 177 GMM OCS CCT SING N N 178 GMM CCT CCU SING N N 179 GMM CCT HCT1 SING N N 180 GMM CCT HCT2 SING N N 181 GMM CCU OCV SING N N 182 GMM CCU CDC SING N N 183 GMM CCU HCU SING N N 184 GMM OCV CCW SING N N 185 GMM CCW OCX SING N N 186 GMM CCW CCY SING N N 187 GMM CCW HCW SING N N 188 GMM OCX HCX SING N N 189 GMM CCY OCZ SING N N 190 GMM CCY CDA SING N N 191 GMM CCY HCY SING N N 192 GMM OCZ HCZ SING N N 193 GMM CDA ODB SING N N 194 GMM CDA CDC SING N N 195 GMM CDA HDA SING N N 196 GMM ODB HDB SING N N 197 GMM CDC ODD SING N N 198 GMM CDC HDC SING N N 199 GMM ODD HDD SING N N 200 # # 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 GMM SMILES ACDLabs 10.04 "O=C(OCC1OC(O)C(O)C(O)C1O)C(CCCCCCCC)C(O)CCCCCCCCCCCCCCCCCCC\C=C/CCCCCCCC\C=C/CCCCCCCCCCCCCCCCCC" GMM SMILES_CANONICAL CACTVS 3.341 "CCCCCCCCCCCCCCCCCC\C=C/CCCCCCCC\C=C/CCCCCCCCCCCCCCCCCCC[C@@H](O)[C@@H](CCCCCCCC)C(=O)OC[C@@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O" GMM SMILES CACTVS 3.341 "CCCCCCCCCCCCCCCCCCC=CCCCCCCCCC=CCCCCCCCCCCCCCCCCCCC[CH](O)[CH](CCCCCCCC)C(=O)OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O" GMM SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 "CCCCCCCCCCCCCCCCCC\C=C/CCCCCCCC\C=C/CCCCCCCCCCCCCCCCCCC[C@H]([C@@H](CCCCCCCC)C(=O)OC[C@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O" GMM SMILES "OpenEye OEToolkits" 1.5.0 "CCCCCCCCCCCCCCCCCCC=CCCCCCCCCC=CCCCCCCCCCCCCCCCCCCCC(C(CCCCCCCC)C(=O)OCC1C(C(C(C(O1)O)O)O)O)O" GMM InChI InChI 1.03 "InChI=1S/C66H126O8/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-44-45-46-47-48-49-50-51-53-55-57-60(67)59(56-54-52-10-8-6-4-2)65(71)73-58-61-62(68)63(69)64(70)66(72)74-61/h24-25,34-35,59-64,66-70,72H,3-23,26-33,36-58H2,1-2H3/b25-24-,35-34-/t59-,60-,61+,62-,63+,64-,66-/m1/s1" GMM InChIKey InChI 1.03 BVARSKHQNMUXIB-WOUBZNJSSA-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 GMM "SYSTEMATIC NAME" ACDLabs 10.04 "6-O-[(2R,3R,23Z,33Z)-3-hydroxy-2-octyldopentaconta-23,33-dienoyl]-alpha-L-idopyranose" GMM "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 "[(2S,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl (2R,3R,23Z,33Z)-3-hydroxy-2-octyl-dopentaconta-23,33-dienoate" # # loop_ _pdbx_chem_comp_audit.comp_id _pdbx_chem_comp_audit.action_type _pdbx_chem_comp_audit.date _pdbx_chem_comp_audit.processing_site GMM "Create component" 2006-10-19 RCSB GMM "Modify descriptor" 2011-06-04 RCSB GMM "Modify synonyms" 2020-06-05 PDBE # _pdbx_chem_comp_synonyms.ordinal 1 _pdbx_chem_comp_synonyms.comp_id GMM _pdbx_chem_comp_synonyms.name "6-O-[(23Z,33Z)-3-HYDROXY-2-OCTYLDOPENTACONTA-23,33-DIENOYL]-ALPHA-D-IDOPYRANOSE" _pdbx_chem_comp_synonyms.provenance ? _pdbx_chem_comp_synonyms.type ? ##