data_ENF # _chem_comp.id ENF _chem_comp.name "N-{(5E)-10-[(9E)-tetradec-9-enoylamino]dec-5-enoyl}-L-seryl-N-(2-cyclohexylethyl)-L-lysinamide" _chem_comp.type NON-POLYMER _chem_comp.pdbx_type HETAIN _chem_comp.formula "C41 H79 N5 O5" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms ? _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 2013-09-23 _chem_comp.pdbx_modified_date 2014-09-19 _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 722.096 _chem_comp.one_letter_code ? _chem_comp.three_letter_code ENF _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 4c7h _chem_comp.pdbx_subcomponent_list ? _chem_comp.pdbx_processing_site EBI # 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 ENF C C C 0 1 N N N 3.228 42.059 57.414 7.026 0.197 -0.604 C ENF 1 ENF N N N 0 1 N N N 2.738 41.186 56.343 8.228 0.350 0.219 N ENF 2 ENF O O O 0 1 N N N 8.781 50.779 60.737 -4.065 1.015 1.429 O ENF 3 ENF C1 C1 C 0 1 N N N 2.437 43.342 57.691 5.784 0.435 0.257 C1 ENF 4 ENF N1 N1 N 0 1 N N N 7.263 51.527 62.121 -5.414 0.658 -0.297 N1 ENF 5 ENF O1 O1 O 0 1 N N N 7.134 54.872 60.653 -7.247 2.858 -0.711 O1 ENF 6 ENF C2 C2 C 0 1 N N N 3.034 44.707 57.403 4.529 0.276 -0.602 C2 ENF 7 ENF N2 N2 N 0 1 N N N 8.435 54.612 63.488 -8.989 0.235 0.515 N2 ENF 8 ENF O2 O2 O 0 1 N N N 6.740 53.354 64.041 -7.640 -0.474 -1.098 O2 ENF 9 ENF C3 C3 C 0 1 N N N 4.144 45.128 58.340 3.287 0.514 0.259 C3 ENF 10 ENF N3 N3 N 0 1 N N N 13.289 53.671 64.807 -7.691 -6.213 0.267 N3 ENF 11 ENF O3 O3 O 0 1 N N N 9.120 57.073 62.990 -11.368 1.185 1.076 O3 ENF 12 ENF C4 C4 C 0 1 N N N 4.466 46.604 58.257 2.031 0.354 -0.600 C4 ENF 13 ENF N4 N4 N 0 1 N N N 8.363 57.870 64.851 -12.599 -0.261 -0.072 N4 ENF 14 ENF C5 C5 C 0 1 N N N 5.635 47.065 59.123 0.790 0.593 0.261 C5 ENF 15 ENF C6 C6 C 0 1 N N N 5.948 48.550 59.302 -0.466 0.433 -0.599 C6 ENF 16 ENF C7 C7 C 0 1 N N N 7.224 48.672 60.101 -1.708 0.672 0.263 C7 ENF 17 ENF C8 C8 C 0 1 N N N 7.253 49.190 61.534 -2.963 0.512 -0.597 C8 ENF 18 ENF C9 C9 C 0 1 N N N 7.860 50.575 61.462 -4.186 0.747 0.252 C9 ENF 19 ENF C10 C10 C 0 1 N N S 7.658 52.906 61.981 -6.603 0.886 0.528 C10 ENF 20 ENF C11 C11 C 0 1 N N N 6.699 53.586 61.006 -6.900 2.386 0.592 C11 ENF 21 ENF C12 C12 C 0 1 N N N 7.568 53.660 63.285 -7.780 0.167 -0.077 C12 ENF 22 ENF C13 C13 C 0 1 N N S 8.350 55.538 64.561 -10.134 -0.465 -0.074 C13 ENF 23 ENF C14 C14 C 0 1 N N N 9.318 55.099 65.665 -10.144 -1.918 0.404 C14 ENF 24 ENF C15 C15 C 0 1 N N N 10.776 55.140 65.232 -8.907 -2.641 -0.133 C15 ENF 25 ENF C16 C16 C 0 1 N N N 11.682 54.640 66.365 -8.918 -4.094 0.345 C16 ENF 26 ENF C17 C17 C 0 1 N N N 13.143 54.523 65.948 -7.681 -4.817 -0.193 C17 ENF 27 ENF C18 C18 C 0 1 N N N 8.661 56.909 64.031 -11.410 0.213 0.352 C18 ENF 28 ENF C19 C19 C 0 1 N N N 8.487 59.247 64.502 -13.840 0.398 0.342 C19 ENF 29 ENF C20 C20 C 0 1 N N N 7.294 60.045 65.059 -15.035 -0.332 -0.273 C20 ENF 30 ENF C21 C21 C 0 1 N N N 7.418 61.511 64.768 -16.331 0.356 0.159 C21 ENF 31 ENF C22 C22 C 0 1 N N N 7.273 61.780 63.291 -16.377 1.770 -0.424 C22 ENF 32 ENF C23 C23 C 0 1 N N N 7.414 63.262 63.054 -17.673 2.458 0.008 C23 ENF 33 ENF C24 C24 C 0 1 N N N 6.433 64.093 63.882 -18.872 1.656 -0.503 C24 ENF 34 ENF C25 C25 C 0 1 N N N 6.546 63.751 65.344 -18.826 0.243 0.081 C25 ENF 35 ENF C26 C26 C 0 1 N N N 6.322 62.260 65.517 -17.530 -0.446 -0.352 C26 ENF 36 ENF C27 C27 C 0 1 N N N 3.046 39.901 56.268 9.447 0.184 -0.331 C27 ENF 37 ENF O28 O28 O 0 1 N N N 3.025 39.222 57.167 9.549 -0.091 -1.508 O28 ENF 38 ENF C29 C29 C 0 1 N N N 3.217 39.547 54.800 10.684 0.341 0.516 C29 ENF 39 ENF C30 C30 C 0 1 N N N 3.808 38.182 54.485 11.925 0.103 -0.346 C30 ENF 40 ENF C31 C31 C 0 1 N N N 3.608 37.832 53.000 13.181 0.263 0.514 C31 ENF 41 ENF C32 C32 C 0 1 N N N 4.210 36.454 52.699 14.423 0.024 -0.348 C32 ENF 42 ENF C33 C33 C 0 1 N N N 4.166 36.049 51.211 15.678 0.184 0.512 C33 ENF 43 ENF C34 C34 C 0 1 N N N 2.762 35.612 50.799 16.920 -0.054 -0.350 C34 ENF 44 ENF C35 C35 C 0 1 N N N 2.634 35.162 49.338 18.175 0.105 0.510 C35 ENF 45 ENF C36 C36 C 0 1 N N N 1.223 34.716 49.015 19.417 -0.133 -0.352 C36 ENF 46 ENF C37 C37 C 0 1 N N N 0.838 33.357 49.562 20.673 0.026 0.508 C37 ENF 47 ENF C38 C38 C 0 1 N N N -0.564 32.868 49.185 21.914 -0.212 -0.353 C38 ENF 48 ENF C39 C39 C 0 1 N N N -0.797 32.789 47.670 23.170 -0.052 0.506 C39 ENF 49 ENF C40 C40 C 0 1 N N N -2.217 32.332 47.393 24.412 -0.290 -0.355 C40 ENF 50 ENF C41 C41 C 0 1 N N N -2.509 32.358 45.910 25.667 -0.131 0.504 C41 ENF 51 ENF H H H 0 1 N N N 3.238 41.470 58.343 7.048 0.922 -1.418 H ENF 52 ENF HA HA H 0 1 N N N 4.256 42.354 57.156 6.994 -0.811 -1.017 HA ENF 53 ENF HN HN H 0 1 N N N 2.146 41.578 55.639 8.147 0.570 1.160 HN ENF 54 ENF H1 H1 H 0 1 N N N 1.513 43.274 57.098 5.762 -0.290 1.071 H1 ENF 55 ENF H1A H1A H 0 1 N N N 2.187 43.330 58.762 5.816 1.444 0.670 H1A ENF 56 ENF HN1 HN1 H 0 1 N N N 6.512 51.295 62.739 -5.511 0.444 -1.238 HN1 ENF 57 ENF HO1 HO1 H 0 1 N N N 6.514 55.261 60.048 -7.449 3.803 -0.747 HO1 ENF 58 ENF H2 H2 H 0 1 N N N 3.437 44.694 56.380 4.551 1.001 -1.416 H2 ENF 59 ENF H2A H2A H 0 1 N N N 2.229 45.453 57.471 4.497 -0.733 -1.015 H2A ENF 60 ENF HN2 HN2 H 0 1 N N N 9.203 54.695 62.853 -9.101 0.747 1.331 HN2 ENF 61 ENF H3 H3 H 0 1 N N N 3.839 44.894 59.371 3.265 -0.211 1.073 H3 ENF 62 ENF H3A H3A H 0 1 N N N 5.050 44.558 58.087 3.319 1.523 0.672 H3A ENF 63 ENF HN3 HN3 H 0 1 N N N 14.255 53.612 64.556 -6.884 -6.712 -0.076 HN3 ENF 64 ENF HN3A HN3A H 0 0 N N N 12.946 52.758 65.027 -7.747 -6.261 1.273 HN3A ENF 65 ENF H4A H4A H 0 1 N N N 4.704 46.842 57.210 2.054 1.079 -1.414 H4A ENF 66 ENF HN4 HN4 H 0 1 N N N 8.033 57.635 65.765 -12.632 -1.038 -0.651 HN4 ENF 67 ENF H5A H5A H 0 1 N N N 5.456 46.660 60.130 0.767 -0.132 1.075 H5A ENF 68 ENF H6 H6 H 0 1 N N N 6.078 49.024 58.318 -0.444 1.158 -1.412 H6 ENF 69 ENF H6A H6A H 0 1 N N N 5.124 49.042 59.840 -0.498 -0.575 -1.011 H6A ENF 70 ENF H7 H7 H 0 1 N N N 7.660 47.663 60.133 -1.730 -0.053 1.077 H7 ENF 71 ENF H7A H7A H 0 1 N N N 7.882 49.338 59.523 -1.676 1.680 0.676 H7A ENF 72 ENF H8 H8 H 0 1 N N N 6.233 49.240 61.944 -2.941 1.237 -1.410 H8 ENF 73 ENF H8A H8A H 0 1 N N N 7.870 48.534 62.166 -2.995 -0.496 -1.009 H8A ENF 74 ENF H10 H10 H 0 1 N N N 8.683 52.974 61.588 -6.425 0.508 1.535 H10 ENF 75 ENF H11 H11 H 0 1 N N N 5.708 53.663 61.478 -6.016 2.917 0.947 H11 ENF 76 ENF H11A H11A H 0 0 N N N 6.625 52.974 60.095 -7.729 2.564 1.276 H11A ENF 77 ENF H13 H13 H 0 1 N N N 7.330 55.541 64.974 -10.054 -0.441 -1.161 H13 ENF 78 ENF H14 H14 H 0 1 N N N 9.190 55.768 66.529 -10.134 -1.942 1.494 H14 ENF 79 ENF H14A H14A H 0 0 N N N 9.069 54.069 65.959 -11.043 -2.415 0.039 H14A ENF 80 ENF H15 H15 H 0 1 N N N 10.911 54.498 64.349 -8.918 -2.617 -1.223 H15 ENF 81 ENF H15A H15A H 0 0 N N N 11.050 56.175 64.978 -8.009 -2.145 0.233 H15A ENF 82 ENF H16 H16 H 0 1 N N N 11.613 55.345 67.207 -8.907 -4.118 1.435 H16 ENF 83 ENF H16A H16A H 0 0 N N N 11.328 53.649 66.686 -9.816 -4.591 -0.021 H16A ENF 84 ENF H17 H17 H 0 1 N N N 13.722 54.105 66.784 -6.782 -4.321 0.173 H17 ENF 85 ENF H17A H17A H 0 0 N N N 13.527 55.524 65.700 -7.692 -4.793 -1.282 H17A ENF 86 ENF H19 H19 H 0 1 N N N 9.421 59.647 64.925 -13.919 0.374 1.429 H19 ENF 87 ENF H19A H19A H 0 0 N N N 8.509 59.344 63.406 -13.833 1.434 0.001 H19A ENF 88 ENF H20 H20 H 0 1 N N N 6.368 59.668 64.600 -14.956 -0.308 -1.360 H20 ENF 89 ENF H20A H20A H 0 0 N N N 7.247 59.901 66.149 -15.043 -1.368 0.068 H20A ENF 90 ENF H21 H21 H 0 1 N N N 8.400 61.871 65.110 -16.368 0.411 1.247 H21 ENF 91 ENF H22 H22 H 0 1 N N N 8.056 61.240 62.738 -15.523 2.341 -0.060 H22 ENF 92 ENF H22A H22A H 0 0 N N N 6.284 61.443 62.949 -16.340 1.715 -1.512 H22A ENF 93 ENF H23 H23 H 0 1 N N N 8.439 63.564 63.317 -17.710 2.513 1.096 H23 ENF 94 ENF H23A H23A H 0 0 N N N 7.234 63.466 61.988 -17.706 3.465 -0.408 H23A ENF 95 ENF H24 H24 H 0 1 N N N 6.657 65.161 63.743 -19.795 2.147 -0.195 H24 ENF 96 ENF H24A H24A H 0 0 N N N 5.408 63.886 63.541 -18.835 1.601 -1.591 H24A ENF 97 ENF H25 H25 H 0 1 N N N 7.548 64.019 65.710 -18.863 0.297 1.169 H25 ENF 98 ENF H25A H25A H 0 0 N N N 5.787 64.307 65.913 -19.680 -0.329 -0.284 H25A ENF 99 ENF H26 H26 H 0 1 N N N 5.339 61.984 65.108 -17.493 -0.501 -1.440 H26 ENF 100 ENF H26A H26A H 0 0 N N N 6.361 62.001 66.585 -17.497 -1.453 0.064 H26A ENF 101 ENF H29 H29 H 0 1 N N N 2.224 39.596 54.329 10.716 1.350 0.928 H29 ENF 102 ENF H29A H29A H 0 0 N N N 3.874 40.305 54.350 10.661 -0.384 1.329 H29A ENF 103 ENF H30 H30 H 0 1 N N N 4.884 38.194 54.711 11.893 -0.905 -0.759 H30 ENF 104 ENF H30A H30A H 0 0 N N N 3.311 37.422 55.105 11.948 0.828 -1.160 H30A ENF 105 ENF H31 H31 H 0 1 N N N 2.532 37.817 52.771 13.213 1.271 0.926 H31 ENF 106 ENF H31A H31A H 0 0 N N N 4.105 38.590 52.377 13.159 -0.462 1.327 H31A ENF 107 ENF H32 H32 H 0 1 N N N 5.261 36.460 53.023 14.391 -0.984 -0.760 H32 ENF 108 ENF H32A H32A H 0 0 N N N 3.653 35.702 53.277 14.445 0.749 -1.161 H32A ENF 109 ENF H33 H33 H 0 1 N N N 4.469 36.909 50.596 15.710 1.192 0.924 H33 ENF 110 ENF H33A H33A H 0 0 N N N 4.864 35.215 51.045 15.656 -0.541 1.326 H33A ENF 111 ENF H34 H34 H 0 1 N N N 2.461 34.773 51.444 16.888 -1.063 -0.762 H34 ENF 112 ENF H34A H34A H 0 0 N N N 2.079 36.459 50.958 16.942 0.671 -1.163 H34A ENF 113 ENF H35 H35 H 0 1 N N N 2.902 36.002 48.681 18.208 1.114 0.923 H35 ENF 114 ENF H35A H35A H 0 0 N N N 3.323 34.323 49.161 18.153 -0.620 1.324 H35A ENF 115 ENF H36A H36A H 0 0 N N N 0.527 35.460 49.430 19.385 -1.141 -0.764 H36A ENF 116 ENF H36B H36B H 0 0 N N N 1.117 34.685 47.921 19.439 0.592 -1.165 H36B ENF 117 ENF H37A H37A H 0 0 N N N 1.566 32.622 49.187 20.705 1.035 0.921 H37A ENF 118 ENF H37B H37B H 0 0 N N N 0.897 33.404 50.659 20.650 -0.698 1.322 H37B ENF 119 ENF H38 H38 H 0 1 N N N -0.710 31.865 49.613 21.882 -1.220 -0.766 H38 ENF 120 ENF H38A H38A H 0 0 N N N -1.302 33.561 49.615 21.937 0.513 -1.167 H38A ENF 121 ENF H39 H39 H 0 1 N N N -0.639 33.782 47.224 23.202 0.956 0.919 H39 ENF 122 ENF H39A H39A H 0 0 N N N -0.090 32.072 47.228 23.148 -0.777 1.320 H39A ENF 123 ENF H40 H40 H 0 1 N N N -2.345 31.306 47.768 24.379 -1.299 -0.768 H40 ENF 124 ENF H40A H40A H 0 0 N N N -2.919 33.002 47.911 24.434 0.434 -1.169 H40A ENF 125 ENF H41 H41 H 0 1 N N N -3.542 32.024 45.733 25.699 0.877 0.917 H41 ENF 126 ENF H41A H41A H 0 0 N N N -2.386 33.383 45.530 25.645 -0.856 1.318 H41A ENF 127 ENF H41B H41B H 0 0 N N N -1.812 31.687 45.387 26.552 -0.301 -0.109 H41B ENF 128 ENF H4B H4B H 0 1 N N N 3.572 47.165 58.566 1.999 -0.654 -1.013 H4B ENF 129 ENF H5B H5B H 0 1 N N N 6.539 46.605 58.698 0.822 1.601 0.674 H5B ENF 130 # 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 ENF N C SING N N 1 ENF C C1 SING N N 2 ENF C H SING N N 3 ENF C HA SING N N 4 ENF C27 N SING N N 5 ENF N HN SING N N 6 ENF O C9 DOUB N N 7 ENF C2 C1 SING N N 8 ENF C1 H1 SING N N 9 ENF C1 H1A SING N N 10 ENF C9 N1 SING N N 11 ENF C10 N1 SING N N 12 ENF N1 HN1 SING N N 13 ENF O1 C11 SING N N 14 ENF O1 HO1 SING N N 15 ENF C2 C3 SING N N 16 ENF C2 H2 SING N N 17 ENF C2 H2A SING N N 18 ENF C12 N2 SING N N 19 ENF N2 C13 SING N N 20 ENF N2 HN2 SING N N 21 ENF C12 O2 DOUB N N 22 ENF C4 C3 SING N N 23 ENF C3 H3 SING N N 24 ENF C3 H3A SING N N 25 ENF N3 C17 SING N N 26 ENF N3 HN3 SING N N 27 ENF N3 HN3A SING N N 28 ENF O3 C18 DOUB N N 29 ENF C4 C5 SING N N 30 ENF C4 H4A SING N N 31 ENF C18 N4 SING N N 32 ENF C19 N4 SING N N 33 ENF N4 HN4 SING N N 34 ENF C5 C6 SING N N 35 ENF C5 H5A SING N N 36 ENF C6 C7 SING N N 37 ENF C6 H6 SING N N 38 ENF C6 H6A SING N N 39 ENF C7 C8 SING N N 40 ENF C7 H7 SING N N 41 ENF C7 H7A SING N N 42 ENF C9 C8 SING N N 43 ENF C8 H8 SING N N 44 ENF C8 H8A SING N N 45 ENF C11 C10 SING N N 46 ENF C10 C12 SING N N 47 ENF C10 H10 SING N N 48 ENF C11 H11 SING N N 49 ENF C11 H11A SING N N 50 ENF C18 C13 SING N N 51 ENF C13 C14 SING N N 52 ENF C13 H13 SING N N 53 ENF C15 C14 SING N N 54 ENF C14 H14 SING N N 55 ENF C14 H14A SING N N 56 ENF C15 C16 SING N N 57 ENF C15 H15 SING N N 58 ENF C15 H15A SING N N 59 ENF C17 C16 SING N N 60 ENF C16 H16 SING N N 61 ENF C16 H16A SING N N 62 ENF C17 H17 SING N N 63 ENF C17 H17A SING N N 64 ENF C19 C20 SING N N 65 ENF C19 H19 SING N N 66 ENF C19 H19A SING N N 67 ENF C21 C20 SING N N 68 ENF C20 H20 SING N N 69 ENF C20 H20A SING N N 70 ENF C22 C21 SING N N 71 ENF C21 C26 SING N N 72 ENF C21 H21 SING N N 73 ENF C23 C22 SING N N 74 ENF C22 H22 SING N N 75 ENF C22 H22A SING N N 76 ENF C23 C24 SING N N 77 ENF C23 H23 SING N N 78 ENF C23 H23A SING N N 79 ENF C24 C25 SING N N 80 ENF C24 H24 SING N N 81 ENF C24 H24A SING N N 82 ENF C25 C26 SING N N 83 ENF C25 H25 SING N N 84 ENF C25 H25A SING N N 85 ENF C26 H26 SING N N 86 ENF C26 H26A SING N N 87 ENF C29 C27 SING N N 88 ENF C27 O28 DOUB N N 89 ENF C30 C29 SING N N 90 ENF C29 H29 SING N N 91 ENF C29 H29A SING N N 92 ENF C31 C30 SING N N 93 ENF C30 H30 SING N N 94 ENF C30 H30A SING N N 95 ENF C32 C31 SING N N 96 ENF C31 H31 SING N N 97 ENF C31 H31A SING N N 98 ENF C33 C32 SING N N 99 ENF C32 H32 SING N N 100 ENF C32 H32A SING N N 101 ENF C34 C33 SING N N 102 ENF C33 H33 SING N N 103 ENF C33 H33A SING N N 104 ENF C35 C34 SING N N 105 ENF C34 H34 SING N N 106 ENF C34 H34A SING N N 107 ENF C36 C35 SING N N 108 ENF C35 H35 SING N N 109 ENF C35 H35A SING N N 110 ENF C36 C37 SING N N 111 ENF C36 H36A SING N N 112 ENF C36 H36B SING N N 113 ENF C38 C37 SING N N 114 ENF C37 H37A SING N N 115 ENF C37 H37B SING N N 116 ENF C39 C38 SING N N 117 ENF C38 H38 SING N N 118 ENF C38 H38A SING N N 119 ENF C40 C39 SING N N 120 ENF C39 H39 SING N N 121 ENF C39 H39A SING N N 122 ENF C41 C40 SING N N 123 ENF C40 H40 SING N N 124 ENF C40 H40A SING N N 125 ENF C41 H41 SING N N 126 ENF C41 H41A SING N N 127 ENF C41 H41B SING N N 128 ENF C4 H4B SING N N 129 ENF C5 H5B SING N N 130 # 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 ENF SMILES ACDLabs 12.01 "O=C(NCCCC/C=C/CCCC(=O)NC(C(=O)NC(C(=O)NCCC1CCCCC1)CCCCN)CO)CCCCCCC/C=C/CCCC" ENF InChI InChI 1.03 ;InChI=1S/C41H75N5O5/c1-2-3-4-5-6-7-8-9-11-14-20-28-38(48)43-32-24-16-13-10-12-15-21-29-39(49)45-37(34-47)41(51)46-36(27-22-23-31-42)40(50)44-33-30-35-25-18-17-19-26-35/h5-6,10,12,35-37,47H,2-4,7-9,11,13-34,42H2,1H3,(H,43,48)(H,44,50)(H,45,49)(H,46,51)/b6-5+,12-10+/t36-,37-/m0/s1 ; ENF InChIKey InChI 1.03 QIQBRVNLNJERKS-FBKDKWTRSA-N ENF SMILES_CANONICAL CACTVS 3.385 "CCCCCCCCCCCCCC(=O)NCCCCCCCCCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)NCCC1CCCCC1" ENF SMILES CACTVS 3.385 "CCCCCCCCCCCCCC(=O)NCCCCCCCCCC(=O)N[CH](CO)C(=O)N[CH](CCCCN)C(=O)NCCC1CCCCC1" ENF SMILES_CANONICAL "OpenEye OEToolkits" 1.7.6 "CCCCCCCCCCCCCC(=O)NCCCCCCCCCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)NCCC1CCCCC1" ENF SMILES "OpenEye OEToolkits" 1.7.6 "CCCCCCCCCCCCCC(=O)NCCCCCCCCCC(=O)NC(CO)C(=O)NC(CCCCN)C(=O)NCCC1CCCCC1" # 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 ENF "SYSTEMATIC NAME" ACDLabs 12.01 "N-{(5E)-10-[(9E)-tetradec-9-enoylamino]dec-5-enoyl}-L-seryl-N-(2-cyclohexylethyl)-L-lysinamide" ENF "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.7.6 "N-[10-[[(2S)-1-[[(2S)-6-azanyl-1-(2-cyclohexylethylamino)-1-oxidanylidene-hexan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-10-oxidanylidene-decyl]tetradecanamide" # loop_ _pdbx_chem_comp_audit.comp_id _pdbx_chem_comp_audit.action_type _pdbx_chem_comp_audit.date _pdbx_chem_comp_audit.processing_site ENF "Create component" 2013-09-23 EBI ENF "Initial release" 2014-09-24 RCSB #