data_2WM # _chem_comp.id 2WM _chem_comp.name "(1S,8E)-1-{[(2S)-3-hydroxy-2-{[(1S)-1-hydroxyoctadecyl]oxy}propyl]oxy}octadec-8-en-1-ol" _chem_comp.type NON-POLYMER _chem_comp.pdbx_type HETAIN _chem_comp.formula "C39 H78 O5" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms ? _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 2014-01-29 _chem_comp.pdbx_modified_date 2014-05-09 _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 627.034 _chem_comp.one_letter_code ? _chem_comp.three_letter_code 2WM _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 4OGQ _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 2WM CBF CBF C 0 1 N N N -45.199 77.934 24.957 19.818 6.794 -0.546 CBF 2WM 1 2WM CBE CBE C 0 1 N N N -46.450 77.682 25.774 19.195 5.414 -0.324 CBE 2WM 2 2WM CBD CBD C 0 1 N N N -46.164 76.889 27.032 17.673 5.518 -0.438 CBD 2WM 3 2WM CBC CBC C 0 1 N N N -47.419 76.491 27.778 17.050 4.138 -0.215 CBC 2WM 4 2WM CBB CBB C 0 1 N N N -47.130 75.525 28.909 15.528 4.241 -0.329 CBB 2WM 5 2WM CBA CBA C 0 1 N N N -46.567 76.220 30.130 14.905 2.862 -0.107 CBA 2WM 6 2WM CAZ CAZ C 0 1 N N N -45.604 75.346 30.901 13.382 2.965 -0.221 CAZ 2WM 7 2WM CAY CAY C 0 1 N N N -44.290 76.048 31.173 12.759 1.586 0.002 CAY 2WM 8 2WM CAX CAX C 0 1 N N N -43.444 76.217 29.928 11.237 1.689 -0.112 CAX 2WM 9 2WM CAW CAW C 0 1 N N N -41.968 76.324 30.251 10.614 0.310 0.110 CAW 2WM 10 2WM CAV CAV C 0 1 N N N -41.041 76.174 29.281 9.092 0.413 -0.004 CAV 2WM 11 2WM CAU CAU C 0 1 N N N -41.364 75.386 28.029 8.469 -0.967 0.218 CAU 2WM 12 2WM CAT CAT C 0 1 N N N -40.248 75.438 27.007 6.947 -0.863 0.104 CAT 2WM 13 2WM CAS CAS C 0 1 N N N -39.854 74.065 26.505 6.324 -2.243 0.327 CAS 2WM 14 2WM CAR CAR C 0 1 N N N -39.241 74.112 25.122 4.801 -2.139 0.213 CAR 2WM 15 2WM CAQ CAQ C 0 1 N N N -38.280 72.968 24.878 4.179 -3.519 0.435 CAQ 2WM 16 2WM CAP CAP C 0 1 N N N -37.252 73.277 23.809 2.656 -3.415 0.321 CAP 2WM 17 2WM CAO CAO C 0 1 N N S -36.236 74.310 24.245 2.033 -4.795 0.544 CAO 2WM 18 2WM OAD OAD O 0 1 N N N -34.973 73.696 24.361 2.284 -5.220 1.885 OAD 2WM 19 2WM OAN OAN O 0 1 N N N -36.172 75.342 23.290 0.623 -4.722 0.323 OAN 2WM 20 2WM CAM CAM C 0 1 N N S -36.114 76.642 23.831 -0.042 -5.985 0.395 CAM 2WM 21 2WM CAL CAL C 0 1 N N N -34.856 77.340 23.363 -0.491 -6.243 1.834 CAL 2WM 22 2WM OAK OAK O 0 1 N N N -33.818 76.389 23.287 -1.475 -5.276 2.207 OAK 2WM 23 2WM CBI CBI C 0 1 N N N -37.323 77.429 23.375 -1.264 -5.970 -0.526 CBI 2WM 24 2WM OBJ OBJ O 0 1 N N N -36.949 78.771 23.163 -2.212 -5.015 -0.045 OBJ 2WM 25 2WM CBK CBK C 0 1 N N S -37.152 79.212 21.843 -3.397 -4.922 -0.837 CBK 2WM 26 2WM OCC OCC O 0 1 N N N -35.950 79.729 21.324 -3.064 -4.426 -2.135 OCC 2WM 27 2WM CBL CBL C 0 1 N N N -38.225 80.276 21.807 -4.387 -3.969 -0.165 CBL 2WM 28 2WM CBM CBM C 0 1 N N N -37.743 81.565 21.177 -5.702 -3.965 -0.947 CBM 2WM 29 2WM CBN CBN C 0 1 N N N -38.698 82.089 20.124 -6.692 -3.011 -0.275 CBN 2WM 30 2WM CBO CBO C 0 1 N N N -39.836 82.893 20.715 -8.007 -3.007 -1.056 CBO 2WM 31 2WM CBP CBP C 0 1 N N N -41.195 82.296 20.418 -8.997 -2.053 -0.384 CBP 2WM 32 2WM CBQ CBQ C 0 1 N N N -41.280 81.720 19.021 -10.312 -2.049 -1.166 CBQ 2WM 33 2WM CBR CBR C 0 1 N N N -42.519 80.874 18.815 -11.287 -1.110 -0.504 CBR 2WM 34 2WM CBS CBS C 0 1 N N N -43.680 81.453 18.445 -11.840 -0.145 -1.196 CBS 2WM 35 2WM CBT CBT C 0 1 N N N -44.789 80.620 17.838 -12.815 0.794 -0.534 CBT 2WM 36 2WM CBU CBU C 0 1 N N N -45.353 79.608 18.812 -12.349 2.237 -0.734 CBU 2WM 37 2WM CBV CBV C 0 1 N N N -46.368 80.228 19.747 -13.339 3.191 -0.062 CBV 2WM 38 2WM CBW CBW C 0 1 N N N -47.711 79.534 19.696 -12.872 4.634 -0.262 CBW 2WM 39 2WM CBX CBX C 0 1 N N N -48.791 80.315 20.415 -13.862 5.588 0.410 CBX 2WM 40 2WM CBY CBY C 0 1 N N N -50.141 80.162 19.749 -13.395 7.031 0.211 CBY 2WM 41 2WM CBZ CBZ C 0 1 N N N -50.526 78.709 19.574 -14.385 7.985 0.883 CBZ 2WM 42 2WM CCA CCA C 0 1 N N N -51.503 78.500 18.438 -13.918 9.428 0.683 CCA 2WM 43 2WM CCB CCB C 0 1 N N N -52.661 79.474 18.486 -14.908 10.382 1.355 CCB 2WM 44 2WM H1 H1 H 0 1 N N N -45.458 78.511 24.057 19.552 7.157 -1.539 H1 2WM 45 2WM H2 H2 H 0 1 N N N -44.475 78.501 25.561 19.444 7.487 0.207 H2 2WM 46 2WM H3 H3 H 0 1 N N N -44.755 76.972 24.660 20.903 6.720 -0.465 H3 2WM 47 2WM H4 H4 H 0 1 N N N -46.888 78.650 26.058 19.570 4.721 -1.077 H4 2WM 48 2WM H5 H5 H 0 1 N N N -47.168 77.121 25.158 19.461 5.051 0.669 H5 2WM 49 2WM H6 H6 H 0 1 N N N -45.617 75.976 26.754 17.299 6.211 0.315 H6 2WM 50 2WM H7 H7 H 0 1 N N N -45.540 77.502 27.698 17.407 5.881 -1.431 H7 2WM 51 2WM H8 H8 H 0 1 N N N -47.885 77.396 28.195 17.424 3.444 -0.969 H8 2WM 52 2WM H9 H9 H 0 1 N N N -48.114 76.013 27.072 17.316 3.775 0.777 H9 2WM 53 2WM H10 H10 H 0 1 N N N -48.066 75.020 29.190 15.153 4.935 0.424 H10 2WM 54 2WM H11 H11 H 0 1 N N N -46.401 74.779 28.559 15.262 4.604 -1.322 H11 2WM 55 2WM H12 H12 H 0 1 N N N -46.037 77.128 29.806 15.279 2.168 -0.860 H12 2WM 56 2WM H13 H13 H 0 1 N N N -47.400 76.498 30.793 15.171 2.499 0.886 H13 2WM 57 2WM H14 H14 H 0 1 N N N -46.065 75.072 31.861 13.008 3.659 0.532 H14 2WM 58 2WM H15 H15 H 0 1 N N N -45.405 74.436 30.316 13.116 3.328 -1.214 H15 2WM 59 2WM H16 H16 H 0 1 N N N -43.721 75.457 31.906 13.134 0.892 -0.752 H16 2WM 60 2WM H17 H17 H 0 1 N N N -44.503 77.043 31.590 13.026 1.223 0.994 H17 2WM 61 2WM H18 H18 H 0 1 N N N -43.760 77.132 29.406 10.863 2.383 0.641 H18 2WM 62 2WM H19 H19 H 0 1 N N N -43.601 75.348 29.272 10.971 2.052 -1.105 H19 2WM 63 2WM H20 H20 H 0 1 N N N -41.756 75.558 31.011 10.989 -0.384 -0.643 H20 2WM 64 2WM H21 H21 H 0 1 N N N -41.812 77.323 30.684 10.880 -0.054 1.103 H21 2WM 65 2WM H22 H22 H 0 1 N N N -40.173 75.685 29.747 8.718 1.106 0.749 H22 2WM 66 2WM H23 H23 H 0 1 N N N -40.760 77.186 28.954 8.826 0.776 -0.997 H23 2WM 67 2WM H24 H24 H 0 1 N N N -42.276 75.801 27.576 8.843 -1.660 -0.535 H24 2WM 68 2WM H25 H25 H 0 1 N N N -41.538 74.336 28.308 8.735 -1.330 1.211 H25 2WM 69 2WM H26 H26 H 0 1 N N N -39.368 75.910 27.469 6.572 -0.170 0.857 H26 2WM 70 2WM H27 H27 H 0 1 N N N -40.582 76.044 26.151 6.681 -0.500 -0.888 H27 2WM 71 2WM H28 H28 H 0 1 N N N -40.751 73.430 26.473 6.698 -2.936 -0.426 H28 2WM 72 2WM H29 H29 H 0 1 N N N -39.122 73.631 27.202 6.590 -2.606 1.319 H29 2WM 73 2WM H30 H30 H 0 1 N N N -38.697 75.061 25.009 4.427 -1.446 0.966 H30 2WM 74 2WM H31 H31 H 0 1 N N N -40.048 74.061 24.376 4.535 -1.776 -0.780 H31 2WM 75 2WM H32 H32 H 0 1 N N N -38.857 72.086 24.565 4.553 -4.212 -0.318 H32 2WM 76 2WM H33 H33 H 0 1 N N N -37.753 72.746 25.818 4.445 -3.882 1.428 H33 2WM 77 2WM H34 H34 H 0 1 N N N -37.776 73.655 22.918 2.282 -2.722 1.074 H34 2WM 78 2WM H35 H35 H 0 1 N N N -36.720 72.348 23.555 2.390 -3.052 -0.671 H35 2WM 79 2WM H36 H36 H 0 1 N N N -36.547 74.717 25.219 2.474 -5.509 -0.152 H36 2WM 80 2WM H37 H37 H 0 1 N N N -35.017 73.000 25.006 1.920 -4.631 2.559 H37 2WM 81 2WM H38 H38 H 0 1 N N N -36.110 76.599 24.930 0.641 -6.774 0.080 H38 2WM 82 2WM H39 H39 H 0 1 N N N -34.583 78.131 24.077 -0.919 -7.243 1.907 H39 2WM 83 2WM H40 H40 H 0 1 N N N -35.025 77.784 22.371 0.367 -6.166 2.502 H40 2WM 84 2WM H41 H41 H 0 1 N N N -33.020 76.813 22.994 -1.805 -5.379 3.110 H41 2WM 85 2WM H42 H42 H 0 1 N N N -38.105 77.383 24.147 -0.955 -5.699 -1.535 H42 2WM 86 2WM H43 H43 H 0 1 N N N -37.708 77.002 22.437 -1.720 -6.960 -0.540 H43 2WM 87 2WM H44 H44 H 0 1 N N N -37.487 78.368 21.222 -3.850 -5.909 -0.931 H44 2WM 88 2WM H45 H45 H 0 1 N N N -35.279 79.057 21.349 -2.656 -3.549 -2.129 H45 2WM 89 2WM H46 H46 H 0 1 N N N -38.548 80.486 22.837 -4.573 -4.299 0.857 H46 2WM 90 2WM H47 H47 H 0 1 N N N -39.078 79.897 21.226 -3.969 -2.962 -0.152 H47 2WM 91 2WM H48 H48 H 0 1 N N N -36.765 81.384 20.707 -5.516 -3.635 -1.969 H48 2WM 92 2WM H49 H49 H 0 1 N N N -37.636 82.325 21.965 -6.120 -4.971 -0.961 H49 2WM 93 2WM H50 H50 H 0 1 N N N -39.119 81.234 19.575 -6.878 -3.341 0.747 H50 2WM 94 2WM H51 H51 H 0 1 N N N -38.137 82.731 19.429 -6.274 -2.004 -0.261 H51 2WM 95 2WM H52 H52 H 0 1 N N N -39.704 82.939 21.806 -7.821 -2.677 -2.078 H52 2WM 96 2WM H53 H53 H 0 1 N N N -39.801 83.910 20.298 -8.425 -4.014 -1.070 H53 2WM 97 2WM H54 H54 H 0 1 N N N -41.957 83.083 20.523 -9.183 -2.384 0.638 H54 2WM 98 2WM H55 H55 H 0 1 N N N -41.394 81.494 21.144 -8.579 -1.047 -0.370 H55 2WM 99 2WM H56 H56 H 0 1 N N N -40.393 81.095 18.843 -10.127 -1.719 -2.188 H56 2WM 100 2WM H57 H57 H 0 1 N N N -41.295 82.549 18.298 -10.730 -3.056 -1.179 H57 2WM 101 2WM H58 H58 H 0 1 N N N -42.473 79.805 18.965 -11.530 -1.232 0.542 H58 2WM 102 2WM H59 H59 H 0 1 N N N -43.819 82.515 18.582 -11.598 -0.023 -2.241 H59 2WM 103 2WM H60 H60 H 0 1 N N N -45.600 81.291 17.518 -13.802 0.666 -0.979 H60 2WM 104 2WM H61 H61 H 0 1 N N N -44.390 80.084 16.964 -12.866 0.573 0.532 H61 2WM 105 2WM H62 H62 H 0 1 N N N -45.839 78.801 18.244 -11.362 2.365 -0.289 H62 2WM 106 2WM H63 H63 H 0 1 N N N -44.528 79.191 19.409 -12.298 2.458 -1.800 H63 2WM 107 2WM H64 H64 H 0 1 N N N -45.981 80.170 20.775 -14.325 3.063 -0.507 H64 2WM 108 2WM H65 H65 H 0 1 N N N -46.506 81.283 19.467 -13.389 2.970 1.004 H65 2WM 109 2WM H66 H66 H 0 1 N N N -48.005 79.411 18.643 -11.885 4.762 0.183 H66 2WM 110 2WM H67 H67 H 0 1 N N N -47.616 78.545 20.168 -12.821 4.856 -1.328 H67 2WM 111 2WM H68 H68 H 0 1 N N N -48.863 79.951 21.450 -14.849 5.460 -0.034 H68 2WM 112 2WM H69 H69 H 0 1 N N N -48.516 81.380 20.419 -13.912 5.367 1.477 H69 2WM 113 2WM H70 H70 H 0 1 N N N -50.105 80.641 18.760 -12.408 7.159 0.655 H70 2WM 114 2WM H71 H71 H 0 1 N N N -50.901 80.658 20.370 -13.344 7.253 -0.856 H71 2WM 115 2WM H72 H72 H 0 1 N N N -50.988 78.352 20.506 -15.372 7.857 0.438 H72 2WM 116 2WM H73 H73 H 0 1 N N N -49.616 78.126 19.369 -14.436 7.764 1.949 H73 2WM 117 2WM H74 H74 H 0 1 N N N -51.900 77.476 18.498 -12.932 9.556 1.128 H74 2WM 118 2WM H75 H75 H 0 1 N N N -50.970 78.632 17.485 -13.868 9.649 -0.383 H75 2WM 119 2WM H76 H76 H 0 1 N N N -53.339 79.280 17.642 -14.576 11.410 1.212 H76 2WM 120 2WM H77 H77 H 0 1 N N N -53.208 79.347 19.432 -15.895 10.254 0.910 H77 2WM 121 2WM H78 H78 H 0 1 N N N -52.278 80.503 18.419 -14.959 10.161 2.421 H78 2WM 122 # 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 2WM CBT CBS SING N N 1 2WM CBT CBU SING N N 2 2WM CCA CCB SING N N 3 2WM CCA CBZ SING N N 4 2WM CBS CBR DOUB N E 5 2WM CBU CBV SING N N 6 2WM CBR CBQ SING N N 7 2WM CBQ CBP SING N N 8 2WM CBZ CBY SING N N 9 2WM CBW CBV SING N N 10 2WM CBW CBX SING N N 11 2WM CBY CBX SING N N 12 2WM CBN CBO SING N N 13 2WM CBN CBM SING N N 14 2WM CBP CBO SING N N 15 2WM CBM CBL SING N N 16 2WM OCC CBK SING N N 17 2WM CBL CBK SING N N 18 2WM CBK OBJ SING N N 19 2WM OBJ CBI SING N N 20 2WM OAK CAL SING N N 21 2WM OAN CAM SING N N 22 2WM OAN CAO SING N N 23 2WM CAL CAM SING N N 24 2WM CBI CAM SING N N 25 2WM CAP CAO SING N N 26 2WM CAP CAQ SING N N 27 2WM CAO OAD SING N N 28 2WM CAQ CAR SING N N 29 2WM CBF CBE SING N N 30 2WM CAR CAS SING N N 31 2WM CBE CBD SING N N 32 2WM CAS CAT SING N N 33 2WM CAT CAU SING N N 34 2WM CBD CBC SING N N 35 2WM CBC CBB SING N N 36 2WM CAU CAV SING N N 37 2WM CBB CBA SING N N 38 2WM CAV CAW SING N N 39 2WM CAX CAW SING N N 40 2WM CAX CAY SING N N 41 2WM CBA CAZ SING N N 42 2WM CAZ CAY SING N N 43 2WM CBF H1 SING N N 44 2WM CBF H2 SING N N 45 2WM CBF H3 SING N N 46 2WM CBE H4 SING N N 47 2WM CBE H5 SING N N 48 2WM CBD H6 SING N N 49 2WM CBD H7 SING N N 50 2WM CBC H8 SING N N 51 2WM CBC H9 SING N N 52 2WM CBB H10 SING N N 53 2WM CBB H11 SING N N 54 2WM CBA H12 SING N N 55 2WM CBA H13 SING N N 56 2WM CAZ H14 SING N N 57 2WM CAZ H15 SING N N 58 2WM CAY H16 SING N N 59 2WM CAY H17 SING N N 60 2WM CAX H18 SING N N 61 2WM CAX H19 SING N N 62 2WM CAW H20 SING N N 63 2WM CAW H21 SING N N 64 2WM CAV H22 SING N N 65 2WM CAV H23 SING N N 66 2WM CAU H24 SING N N 67 2WM CAU H25 SING N N 68 2WM CAT H26 SING N N 69 2WM CAT H27 SING N N 70 2WM CAS H28 SING N N 71 2WM CAS H29 SING N N 72 2WM CAR H30 SING N N 73 2WM CAR H31 SING N N 74 2WM CAQ H32 SING N N 75 2WM CAQ H33 SING N N 76 2WM CAP H34 SING N N 77 2WM CAP H35 SING N N 78 2WM CAO H36 SING N N 79 2WM OAD H37 SING N N 80 2WM CAM H38 SING N N 81 2WM CAL H39 SING N N 82 2WM CAL H40 SING N N 83 2WM OAK H41 SING N N 84 2WM CBI H42 SING N N 85 2WM CBI H43 SING N N 86 2WM CBK H44 SING N N 87 2WM OCC H45 SING N N 88 2WM CBL H46 SING N N 89 2WM CBL H47 SING N N 90 2WM CBM H48 SING N N 91 2WM CBM H49 SING N N 92 2WM CBN H50 SING N N 93 2WM CBN H51 SING N N 94 2WM CBO H52 SING N N 95 2WM CBO H53 SING N N 96 2WM CBP H54 SING N N 97 2WM CBP H55 SING N N 98 2WM CBQ H56 SING N N 99 2WM CBQ H57 SING N N 100 2WM CBR H58 SING N N 101 2WM CBS H59 SING N N 102 2WM CBT H60 SING N N 103 2WM CBT H61 SING N N 104 2WM CBU H62 SING N N 105 2WM CBU H63 SING N N 106 2WM CBV H64 SING N N 107 2WM CBV H65 SING N N 108 2WM CBW H66 SING N N 109 2WM CBW H67 SING N N 110 2WM CBX H68 SING N N 111 2WM CBX H69 SING N N 112 2WM CBY H70 SING N N 113 2WM CBY H71 SING N N 114 2WM CBZ H72 SING N N 115 2WM CBZ H73 SING N N 116 2WM CCA H74 SING N N 117 2WM CCA H75 SING N N 118 2WM CCB H76 SING N N 119 2WM CCB H77 SING N N 120 2WM CCB H78 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 2WM SMILES ACDLabs 12.01 "OC(OC(COC(O)CCCCCC/C=C/CCCCCCCCC)CO)CCCCCCCCCCCCCCCCC" 2WM InChI InChI 1.03 "InChI=1S/C39H78O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h19,21,37-42H,3-18,20,22-36H2,1-2H3/b21-19+/t37-,38-,39-/m0/s1" 2WM InChIKey InChI 1.03 IYPOYOCNVQYKRB-UUYGCZLBSA-N 2WM SMILES_CANONICAL CACTVS 3.385 "CCCCCCCCCCCCCCCCC[C@@H](O)O[C@@H](CO)CO[C@H](O)CCCCCC/C=C/CCCCCCCCC" 2WM SMILES CACTVS 3.385 "CCCCCCCCCCCCCCCCC[CH](O)O[CH](CO)CO[CH](O)CCCCCCC=CCCCCCCCCC" 2WM SMILES_CANONICAL "OpenEye OEToolkits" 1.7.6 "CCCCCCCCCCCCCCCCC[C@@H](O)O[C@@H](CO)CO[C@@H](CCCCCC/C=C/CCCCCCCCC)O" 2WM SMILES "OpenEye OEToolkits" 1.7.6 "CCCCCCCCCCCCCCCCCC(O)OC(CO)COC(CCCCCCC=CCCCCCCCCC)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 2WM "SYSTEMATIC NAME" ACDLabs 12.01 "(1S,8E)-1-{[(2S)-3-hydroxy-2-{[(1S)-1-hydroxyoctadecyl]oxy}propyl]oxy}octadec-8-en-1-ol" 2WM "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.7.6 "(1S)-1-[(2S)-1-oxidanyl-3-[(E,1S)-1-oxidanyloctadec-8-enoxy]propan-2-yl]oxyoctadecan-1-ol" # loop_ _pdbx_chem_comp_audit.comp_id _pdbx_chem_comp_audit.action_type _pdbx_chem_comp_audit.date _pdbx_chem_comp_audit.processing_site 2WM "Create component" 2014-01-29 RCSB 2WM "Initial release" 2014-05-14 RCSB #