data_ERA # _chem_comp.id ERA _chem_comp.name "(7Z,15E,17E)-N-[(2S,3S,4E)-1,3-dihydroxyoctadec-4-en-2-yl]tricosa-7,15,17-trienamide" _chem_comp.type NON-POLYMER _chem_comp.pdbx_type HETAIN _chem_comp.formula "C41 H75 N O3" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms ? _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 2011-04-04 _chem_comp.pdbx_modified_date 2011-10-07 _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 630.039 _chem_comp.one_letter_code ? _chem_comp.three_letter_code ERA _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 3AU1 _chem_comp.pdbx_subcomponent_list ? _chem_comp.pdbx_processing_site PDBJ # 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 ERA OA OA O 0 1 N N N 16.639 -1.971 46.657 4.228 8.183 2.174 OA ERA 1 ERA NB NB N 0 1 N N N 15.812 -4.042 44.447 3.291 5.646 1.145 NB ERA 2 ERA CAA CAA C 0 1 N N N 17.258 -2.136 45.446 4.871 7.512 1.089 CAA ERA 3 ERA CAB CAB C 0 1 N N S 16.812 -3.170 44.367 4.709 5.999 1.256 CAB ERA 4 ERA CAC CAC C 0 1 N N S 17.565 -3.323 43.044 5.234 5.579 2.630 CAC ERA 5 ERA OAD OAD O 0 1 N N N 18.552 -2.655 42.758 4.493 6.253 3.650 OAD ERA 6 ERA CAE CAE C 0 1 N N N 17.121 -4.284 42.162 5.074 4.089 2.795 CAE ERA 7 ERA CAF CAF C 0 1 N N N 17.732 -4.524 40.948 6.126 3.336 3.001 CAF ERA 8 ERA CAG CAG C 0 1 N N N 17.373 -5.931 40.471 5.966 1.847 3.165 CAG ERA 9 ERA CAH CAH C 0 1 N N N 17.962 -6.104 39.074 6.856 1.123 2.153 CAH ERA 10 ERA CAI CAI C 0 1 N N N 17.644 -7.472 38.464 6.694 -0.389 2.320 CAI ERA 11 ERA CAJ CAJ C 0 1 N N N 18.825 -7.948 37.607 7.584 -1.112 1.308 CAJ ERA 12 ERA CAK CAK C 0 1 N N N 19.321 -6.876 36.637 7.421 -2.624 1.474 CAK ERA 13 ERA CAL CAL C 0 1 N N N 19.715 -7.496 35.292 8.312 -3.348 0.462 CAL ERA 14 ERA CAM CAM C 0 1 N N N 20.133 -6.404 34.289 8.149 -4.860 0.629 CAM ERA 15 ERA CAN CAN C 0 1 N N N 21.300 -6.850 33.382 9.040 -5.583 -0.383 CAN ERA 16 ERA CAO CAO C 0 1 N N N 21.019 -6.603 31.868 8.877 -7.095 -0.216 CAO ERA 17 ERA CAP CAP C 0 1 N N N 21.327 -5.141 31.415 9.768 -7.819 -1.228 CAP ERA 18 ERA OBA OBA O 0 1 N N N 14.831 -3.629 46.431 3.419 5.549 -1.068 OBA ERA 19 ERA CBB CBB C 0 1 N N N 14.895 -4.226 45.370 2.741 5.440 -0.068 CBB ERA 20 ERA CBC CBC C 0 1 N N N 13.948 -5.355 45.070 1.283 5.076 -0.182 CBC ERA 21 ERA CBD CBD C 0 1 N N N 14.739 -6.651 45.235 0.915 4.901 -1.656 CBD ERA 22 ERA CBE CBE C 0 1 N N N 13.967 -7.816 44.633 -0.566 4.531 -1.772 CBE ERA 23 ERA CBF CBF C 0 1 N N N 14.232 -7.940 43.124 -0.934 4.356 -3.246 CBF ERA 24 ERA CBG CBG C 0 1 N N N 13.215 -8.839 42.378 -2.414 3.986 -3.362 CBG ERA 25 ERA CBH CBH C 0 1 N N N 13.780 -9.303 41.186 -2.776 3.813 -4.814 CBH ERA 26 ERA CBI CBI C 0 1 N N N 13.123 -9.936 40.121 -3.372 2.717 -5.215 CBI ERA 27 ERA CBJ CBJ C 0 1 N N N 11.740 -10.143 40.055 -3.847 1.706 -4.205 CBJ ERA 28 ERA CBK CBK C 0 1 N N N 11.328 -11.193 38.981 -5.329 1.407 -4.439 CBK ERA 29 ERA CBL CBL C 0 1 N N N 10.653 -10.589 37.705 -5.812 0.380 -3.413 CBL ERA 30 ERA CBM CBM C 0 1 N N N 9.401 -9.724 37.967 -7.294 0.082 -3.648 CBM ERA 31 ERA CBN CBN C 0 1 N N N 8.196 -10.186 37.146 -7.776 -0.946 -2.622 CBN ERA 32 ERA CBO CBO C 0 1 N N N 6.965 -9.320 37.458 -9.258 -1.244 -2.857 CBO ERA 33 ERA CBP CBP C 0 1 N N N 6.054 -10.004 38.275 -9.733 -2.256 -1.847 CBP ERA 34 ERA CBQ CBQ C 0 1 N N N 4.709 -9.624 38.406 -10.781 -1.984 -1.076 CBQ ERA 35 ERA CBR CBR C 0 1 N N N 3.820 -10.331 39.219 -11.245 -2.972 -0.090 CBR ERA 36 ERA CBS CBS C 0 1 N N N 4.229 -11.428 39.992 -12.293 -2.700 0.681 CBS ERA 37 ERA CBU CBU C 0 1 N N N 3.945 -13.463 41.322 -12.813 -3.066 3.077 CBU ERA 38 ERA CBV CBV C 0 1 N N N 5.095 -13.304 42.340 -13.295 -4.094 4.103 CBV ERA 39 ERA CBT CBT C 0 1 N N N 3.349 -12.132 40.820 -12.768 -3.712 1.691 CBT ERA 40 ERA HOA HOA H 0 1 N N N 15.898 -2.563 46.718 4.291 9.147 2.134 HOA ERA 41 ERA HNB HNB H 0 1 N N N 15.746 -4.667 43.669 2.749 5.559 1.945 HNB ERA 42 ERA HAA HAA H 0 1 N N N 17.173 -1.158 44.951 4.417 7.824 0.149 HAA ERA 43 ERA HAAA HAAA H 0 0 N N N 18.292 -2.417 45.694 5.931 7.765 1.082 HAAA ERA 44 ERA HAB HAB H 0 1 N N N 16.621 -2.480 45.202 5.273 5.485 0.478 HAB ERA 45 ERA HAC HAC H 0 1 N N N 17.751 -2.254 43.222 6.288 5.842 2.712 HAC ERA 46 ERA HOAD HOAD H 0 0 N N N 18.865 -2.905 41.897 3.545 6.065 3.637 HOAD ERA 47 ERA HAE HAE H 0 1 N N N 16.258 -4.875 42.432 4.092 3.643 2.742 HAE ERA 48 ERA HAF HAF H 0 1 N N N 18.364 -3.827 40.418 7.108 3.783 3.053 HAF ERA 49 ERA HAG HAG H 0 1 N N N 17.794 -6.682 41.156 6.256 1.560 4.176 HAG ERA 50 ERA HAGA HAGA H 0 0 N N N 16.280 -6.053 40.440 4.924 1.572 2.995 HAGA ERA 51 ERA HAH HAH H 0 1 N N N 17.541 -5.326 38.421 6.565 1.411 1.143 HAH ERA 52 ERA HAHA HAHA H 0 0 N N N 19.055 -6.000 39.142 7.897 1.398 2.323 HAHA ERA 53 ERA HAI HAI H 0 1 N N N 17.464 -8.198 39.271 6.984 -0.676 3.330 HAI ERA 54 ERA HAIA HAIA H 0 0 N N N 16.746 -7.390 37.834 5.653 -0.663 2.149 HAIA ERA 55 ERA HAJ HAJ H 0 1 N N N 19.654 -8.219 38.278 7.293 -0.825 0.297 HAJ ERA 56 ERA HAJA HAJA H 0 0 N N N 18.500 -8.821 37.023 8.625 -0.837 1.478 HAJA ERA 57 ERA HAK HAK H 0 1 N N N 18.518 -6.143 36.472 7.712 -2.911 2.485 HAK ERA 58 ERA HAKA HAKA H 0 0 N N N 20.200 -6.378 37.073 6.380 -2.899 1.304 HAKA ERA 59 ERA HAL HAL H 0 1 N N N 20.560 -8.183 35.447 8.021 -3.060 -0.548 HAL ERA 60 ERA HALA HALA H 0 0 N N N 18.854 -8.047 34.885 9.353 -3.073 0.632 HALA ERA 61 ERA HAM HAM H 0 1 N N N 19.268 -6.166 33.652 8.440 -5.147 1.640 HAM ERA 62 ERA HAMA HAMA H 0 0 N N N 20.451 -5.515 34.854 7.108 -5.134 0.459 HAMA ERA 63 ERA HAN HAN H 0 1 N N N 22.197 -6.279 33.666 8.749 -5.296 -1.393 HAN ERA 64 ERA HANA HANA H 0 0 N N N 21.464 -7.927 33.533 10.081 -5.309 -0.213 HANA ERA 65 ERA HAO HAO H 0 1 N N N 21.654 -7.285 31.284 9.168 -7.383 0.794 HAO ERA 66 ERA HAOA HAOA H 0 0 N N N 19.955 -6.805 31.678 7.836 -7.370 -0.386 HAOA ERA 67 ERA HAP HAP H 0 1 N N N 21.502 -5.379 30.355 9.477 -7.532 -2.239 HAP ERA 68 ERA HAPA HAPA H 0 0 N N N 20.356 -4.718 31.711 10.809 -7.544 -1.058 HAPA ERA 69 ERA HBC HBC H 0 1 N N N 13.096 -5.335 45.766 1.099 4.144 0.352 HBC ERA 70 ERA HBCA HBCA H 0 0 N N N 13.563 -5.269 44.043 0.675 5.870 0.253 HBCA ERA 71 ERA HBD HBD H 0 1 N N N 15.707 -6.553 44.721 1.099 5.833 -2.190 HBD ERA 72 ERA HBDA HBDA H 0 0 N N N 14.905 -6.841 46.306 1.522 4.107 -2.091 HBDA ERA 73 ERA HBE HBE H 0 1 N N N 14.284 -8.746 45.128 -0.750 3.599 -1.238 HBE ERA 74 ERA HBEA HBEA H 0 0 N N N 12.891 -7.651 44.793 -1.173 5.325 -1.337 HBEA ERA 75 ERA HBF HBF H 0 1 N N N 14.180 -6.932 42.686 -0.749 5.288 -3.780 HBF ERA 76 ERA HBFA HBFA H 0 0 N N N 15.233 -8.375 42.989 -0.326 3.562 -3.681 HBFA ERA 77 ERA HBG HBG H 0 1 N N N 12.950 -9.696 43.014 -2.598 3.054 -2.828 HBG ERA 78 ERA HBGA HBGA H 0 0 N N N 12.310 -8.256 42.150 -3.022 4.780 -2.928 HBGA ERA 79 ERA HBH HBH H 0 1 N N N 14.844 -9.157 41.073 -2.546 4.593 -5.525 HBH ERA 80 ERA HBI HBI H 0 1 N N N 13.725 -10.288 39.296 -3.523 2.539 -6.270 HBI ERA 81 ERA HBJ HBJ H 0 1 N N N 11.398 -10.502 41.037 -3.270 0.787 -4.311 HBJ ERA 82 ERA HBJA HBJA H 0 0 N N N 11.260 -9.186 39.803 -3.712 2.105 -3.199 HBJA ERA 83 ERA HBK HBK H 0 1 N N N 12.238 -11.722 38.662 -5.906 2.326 -4.333 HBK ERA 84 ERA HBKA HBKA H 0 0 N N N 10.610 -11.885 39.445 -5.465 1.008 -5.445 HBKA ERA 85 ERA HBL HBL H 0 1 N N N 11.398 -9.952 37.205 -5.235 -0.539 -3.520 HBL ERA 86 ERA HBLA HBLA H 0 0 N N N 10.348 -11.428 37.062 -5.676 0.779 -2.408 HBLA ERA 87 ERA HBM HBM H 0 1 N N N 9.145 -9.793 39.034 -7.871 1.000 -3.542 HBM ERA 88 ERA HBMA HBMA H 0 0 N N N 9.631 -8.683 37.695 -7.429 -0.318 -4.654 HBMA ERA 89 ERA HBN HBN H 0 1 N N N 8.435 -10.099 36.076 -7.199 -1.865 -2.729 HBN ERA 90 ERA HBNA HBNA H 0 0 N N N 7.971 -11.234 37.395 -7.641 -0.547 -1.617 HBNA ERA 91 ERA HBO HBO H 0 1 N N N 7.294 -8.408 37.978 -9.835 -0.326 -2.750 HBO ERA 92 ERA HBOA HBOA H 0 0 N N N 6.467 -9.057 36.513 -9.394 -1.643 -3.862 HBOA ERA 93 ERA HBP HBP H 0 1 N N N 6.403 -10.863 38.829 -9.222 -3.202 -1.749 HBP ERA 94 ERA HBQ HBQ H 0 1 N N N 4.352 -8.761 37.863 -11.292 -1.038 -1.174 HBQ ERA 95 ERA HBR HBR H 0 1 N N N 2.785 -10.023 39.254 -10.734 -3.918 0.008 HBR ERA 96 ERA HBS HBS H 0 1 N N N 5.262 -11.740 39.946 -12.804 -1.754 0.583 HBS ERA 97 ERA HBU HBU H 0 1 N N N 4.339 -14.006 40.450 -13.499 -2.219 3.061 HBU ERA 98 ERA HBUA HBUA H 0 0 N N N 3.139 -14.031 41.810 -11.816 -2.721 3.350 HBUA ERA 99 ERA HBV HBV H 0 1 N N N 6.025 -13.113 41.785 -14.292 -4.439 3.831 HBV ERA 100 ERA HBVA HBVA H 0 0 N N N 4.858 -12.457 43.001 -12.609 -4.941 4.120 HBVA ERA 101 ERA CBW CBW C 0 1 N N N 5.301 -14.562 43.216 -13.340 -3.447 5.490 CBW ERA 102 ERA HBT HBT H 0 1 N N N 3.115 -11.504 41.693 -13.765 -4.057 1.419 HBT ERA 103 ERA HBTA HBTA H 0 0 N N N 2.435 -12.353 40.249 -12.082 -4.559 1.707 HBTA ERA 104 ERA CBX CBX C 0 1 N N N 6.788 -14.961 43.216 -13.823 -4.475 6.516 CBX ERA 105 ERA CAQ CAQ C 0 1 N N N 22.097 -3.807 31.415 9.605 -9.331 -1.061 CAQ ERA 106 ERA CAR CAR C 0 1 N N N 21.698 -2.320 31.415 10.496 -10.054 -2.074 CAR ERA 107 ERA CAS CAS C 0 1 N N N 22.468 -0.986 31.415 10.333 -11.567 -1.907 CAS ERA 108 ERA HBX HBX H 0 1 N N N 6.928 -15.856 43.840 -14.820 -4.820 6.243 HBX ERA 109 ERA HBX1 HBX1 H 0 0 N N N 7.109 -15.178 42.187 -13.137 -5.322 6.532 HBX1 ERA 110 ERA HBX2 HBX2 H 0 0 N N N 7.389 -14.134 43.621 -13.855 -4.015 7.503 HBX2 ERA 111 ERA HAQ HAQ H 0 1 N N N 22.675 -3.883 32.348 9.896 -9.618 -0.051 HAQ ERA 112 ERA HAQA HAQA H 0 0 N N N 22.675 -3.883 30.482 8.564 -9.606 -1.232 HAQA ERA 113 ERA HAR HAR H 0 1 N N N 21.120 -2.244 30.482 10.205 -9.767 -3.084 HAR ERA 114 ERA HARA HARA H 0 0 N N N 21.120 -2.244 32.348 11.537 -9.780 -1.903 HARA ERA 115 ERA HAS HAS H 0 1 N N N 21.754 -0.150 31.415 10.624 -11.854 -0.896 HAS ERA 116 ERA HAS1 HAS1 H 0 0 N N N 23.100 -0.928 32.313 9.292 -11.841 -2.077 HAS1 ERA 117 ERA HAS2 HAS2 H 0 0 N N N 23.100 -0.928 30.517 10.967 -12.082 -2.628 HAS2 ERA 118 ERA HBW HBW H 0 1 N N N 4.982 -14.345 44.246 -12.343 -3.102 5.762 HBW ERA 119 ERA HBWA HBWA H 0 0 N N N 4.701 -15.390 42.811 -14.026 -2.601 5.474 HBWA ERA 120 # 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 ERA OA CAA SING N N 1 ERA OA HOA SING N N 2 ERA NB CAB SING N N 3 ERA NB CBB SING N N 4 ERA NB HNB SING N N 5 ERA CAA CAB SING N N 6 ERA CAA HAA SING N N 7 ERA CAA HAAA SING N N 8 ERA CAB CAC SING N N 9 ERA CAB HAB SING N N 10 ERA CAC OAD SING N N 11 ERA CAC CAE SING N N 12 ERA CAC HAC SING N N 13 ERA OAD HOAD SING N N 14 ERA CAE CAF DOUB N E 15 ERA CAE HAE SING N N 16 ERA CAF CAG SING N N 17 ERA CAF HAF SING N N 18 ERA CAG CAH SING N N 19 ERA CAG HAG SING N N 20 ERA CAG HAGA SING N N 21 ERA CAH CAI SING N N 22 ERA CAH HAH SING N N 23 ERA CAH HAHA SING N N 24 ERA CAI CAJ SING N N 25 ERA CAI HAI SING N N 26 ERA CAI HAIA SING N N 27 ERA CAJ CAK SING N N 28 ERA CAJ HAJ SING N N 29 ERA CAJ HAJA SING N N 30 ERA CAK CAL SING N N 31 ERA CAK HAK SING N N 32 ERA CAK HAKA SING N N 33 ERA CAL CAM SING N N 34 ERA CAL HAL SING N N 35 ERA CAL HALA SING N N 36 ERA CAM CAN SING N N 37 ERA CAM HAM SING N N 38 ERA CAM HAMA SING N N 39 ERA CAN CAO SING N N 40 ERA CAN HAN SING N N 41 ERA CAN HANA SING N N 42 ERA CAO CAP SING N N 43 ERA CAO HAO SING N N 44 ERA CAO HAOA SING N N 45 ERA CAP HAP SING N N 46 ERA CAP HAPA SING N N 47 ERA CAP CAQ SING N N 48 ERA OBA CBB DOUB N N 49 ERA CBB CBC SING N N 50 ERA CBC CBD SING N N 51 ERA CBC HBC SING N N 52 ERA CBC HBCA SING N N 53 ERA CBD CBE SING N N 54 ERA CBD HBD SING N N 55 ERA CBD HBDA SING N N 56 ERA CBE CBF SING N N 57 ERA CBE HBE SING N N 58 ERA CBE HBEA SING N N 59 ERA CBF CBG SING N N 60 ERA CBF HBF SING N N 61 ERA CBF HBFA SING N N 62 ERA CBG CBH SING N N 63 ERA CBG HBG SING N N 64 ERA CBG HBGA SING N N 65 ERA CBH CBI DOUB N Z 66 ERA CBH HBH SING N N 67 ERA CBI CBJ SING N N 68 ERA CBI HBI SING N N 69 ERA CBJ CBK SING N N 70 ERA CBJ HBJ SING N N 71 ERA CBJ HBJA SING N N 72 ERA CBK CBL SING N N 73 ERA CBK HBK SING N N 74 ERA CBK HBKA SING N N 75 ERA CBL CBM SING N N 76 ERA CBL HBL SING N N 77 ERA CBL HBLA SING N N 78 ERA CBM CBN SING N N 79 ERA CBM HBM SING N N 80 ERA CBM HBMA SING N N 81 ERA CBN CBO SING N N 82 ERA CBN HBN SING N N 83 ERA CBN HBNA SING N N 84 ERA CBO CBP SING N N 85 ERA CBO HBO SING N N 86 ERA CBO HBOA SING N N 87 ERA CBP CBQ DOUB N E 88 ERA CBP HBP SING N N 89 ERA CBQ CBR SING N N 90 ERA CBQ HBQ SING N N 91 ERA CBR CBS DOUB N E 92 ERA CBR HBR SING N N 93 ERA CBS CBT SING N N 94 ERA CBS HBS SING N N 95 ERA CBU CBV SING N N 96 ERA CBU CBT SING N N 97 ERA CBU HBU SING N N 98 ERA CBU HBUA SING N N 99 ERA CBV CBW SING N N 100 ERA CBV HBV SING N N 101 ERA CBV HBVA SING N N 102 ERA CBW CBX SING N N 103 ERA CBT HBT SING N N 104 ERA CBT HBTA SING N N 105 ERA CBX HBX SING N N 106 ERA CBX HBX1 SING N N 107 ERA CBX HBX2 SING N N 108 ERA CAQ CAR SING N N 109 ERA CAQ HAQ SING N N 110 ERA CAQ HAQA SING N N 111 ERA CAR CAS SING N N 112 ERA CAR HAR SING N N 113 ERA CAR HARA SING N N 114 ERA CAS HAS SING N N 115 ERA CAS HAS1 SING N N 116 ERA CAS HAS2 SING N N 117 ERA CBW HBW SING N N 118 ERA CBW HBWA SING N N 119 # 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 ERA SMILES ACDLabs 12.01 "O=C(NC(CO)C(O)/C=C/CCCCCCCCCCCCC)CCCCC\C=C/CCCCCC\C=C\C=C\CCCCC" ERA SMILES_CANONICAL CACTVS 3.370 "CCCCCCCCCCCCC/C=C/[C@H](O)[C@H](CO)NC(=O)CCCCC\C=C/CCCCCC\C=C\C=C\CCCCC" ERA SMILES CACTVS 3.370 "CCCCCCCCCCCCCC=C[CH](O)[CH](CO)NC(=O)CCCCCC=CCCCCCCC=CC=CCCCCC" ERA SMILES_CANONICAL "OpenEye OEToolkits" 1.7.0 "CCCCCCCCCCCCC/C=C/C(C(CO)NC(=O)CCCCC/C=C\CCCCCC/C=C/C=C/CCCCC)O" ERA SMILES "OpenEye OEToolkits" 1.7.0 "CCCCCCCCCCCCCC=CC(C(CO)NC(=O)CCCCCC=CCCCCCCC=CC=CCCCCC)O" ERA InChI InChI 1.03 ;InChI=1S/C41H75NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-37-41(45)42-39(38-43)40(44)36-34-32-30-28-26-24-16-14-12-10-8-6-4-2/h11,13,15,17,25,27,34,36,39-40,43-44H,3-10,12,14,16,18-24,26,28-33,35,37-38H2,1-2H3,(H,42,45)/b13-11+,17-15+,27-25-,36-34+/t39-,40-/m0/s1 ; ERA InChIKey InChI 1.03 LEGJBMXBXUBUBR-HYJMHJGISA-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 ERA "SYSTEMATIC NAME" ACDLabs 12.01 "(7Z,15E,17E)-N-[(2S,3S,4E)-1,3-dihydroxyoctadec-4-en-2-yl]tricosa-7,15,17-trienamide" ERA "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.7.0 "(7Z,15E,17E)-N-[(E)-1,3-dihydroxyoctadec-4-en-2-yl]tricosa-7,15,17-trienamide" # loop_ _pdbx_chem_comp_audit.comp_id _pdbx_chem_comp_audit.action_type _pdbx_chem_comp_audit.date _pdbx_chem_comp_audit.processing_site ERA "Create component" 2011-04-04 PDBJ ERA "Modify descriptor" 2011-06-04 RCSB #