data_A1EF2
# 
_chem_comp.id                                    A1EF2 
_chem_comp.name                                  "(6~{E},8~{E},10~{E},12~{E},14~{E},16~{E},18~{E},20~{E},22~{E},26~{E})-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,26,30-dodecaene" 
_chem_comp.type                                  non-polymer 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C40 H58" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         "Neurosporene; Neurosporin" 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2024-11-19 
_chem_comp.pdbx_modified_date                    2025-11-14 
_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                        538.889 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     A1EF2 
_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        9KLM 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  PDBC 
_chem_comp.pdbx_pcm                              ? 
# 
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.pdbx_n_terminal_atom_flag 
_chem_comp_atom.pdbx_backbone_atom_flag 
_chem_comp_atom.pdbx_c_terminal_atom_flag 
_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 
A1EF2 C1  C1  C 0 1 N N N N N N 134.765 123.268 117.828 14.942  -2.423 0.245  C1  A1EF2 1  
A1EF2 C5  C2  C 0 1 N N N N N N 138.882 126.276 116.769 10.452  -0.353 -2.700 C5  A1EF2 2  
A1EF2 C4  C3  C 0 1 N N N N N N 137.030 124.394 117.604 12.891  -1.701 -0.866 C4  A1EF2 3  
A1EF2 C3  C4  C 0 1 N N N N N N 136.052 123.380 118.114 14.266  -2.319 -0.872 C3  A1EF2 4  
A1EF2 C2  C5  C 0 1 N N N N N N 133.896 122.201 118.420 14.362  -1.888 1.529  C2  A1EF2 5  
A1EF2 C6  C6  C 0 1 N N N N N N 134.062 124.195 116.883 16.298  -3.082 0.247  C6  A1EF2 6  
A1EF2 C8  C7  C 0 1 N N N N N N 138.427 124.186 118.154 12.886  -0.462 -1.764 C8  A1EF2 7  
A1EF2 C9  C8  C 0 1 N N N N N N 139.415 125.239 117.716 11.512  0.156  -1.758 C9  A1EF2 8  
A1EF2 C10 C9  C 0 1 N N N N N N 140.673 125.203 118.140 11.238  1.137  -0.933 C10 A1EF2 9  
A1EF2 C11 C10 C 0 1 N N N N N N 141.655 126.261 118.077 9.835   1.679  -0.846 C11 A1EF2 10 
A1EF2 C12 C11 C 0 1 N N N N N N 143.008 126.164 118.352 9.333   1.563  0.595  C12 A1EF2 11 
A1EF2 C13 C12 C 0 1 N N N N N N 143.927 127.184 118.657 7.929   2.104  0.683  C13 A1EF2 12 
A1EF2 C14 C13 C 0 1 N N N N N N 145.314 126.982 118.721 6.886   1.274  0.590  C14 A1EF2 13 
A1EF2 C15 C14 C 0 1 N N N N N N 146.306 127.867 119.103 5.565   1.784  0.673  C15 A1EF2 14 
A1EF2 C16 C15 C 0 1 N N N N N N 147.648 127.560 119.197 4.504   0.940  0.579  C16 A1EF2 15 
A1EF2 C17 C16 C 0 1 N N N N N N 148.708 128.333 119.692 3.195   1.445  0.661  C17 A1EF2 16 
A1EF2 C18 C17 C 0 1 N N N N N N 150.024 127.848 119.783 2.129   0.597  0.567  C18 A1EF2 17 
A1EF2 C19 C18 C 0 1 N N N N N N 151.183 128.482 120.186 0.823   1.101  0.648  C19 A1EF2 18 
A1EF2 C20 C19 C 0 1 N N N N N N 152.427 127.896 120.378 -0.251  0.246  0.553  C20 A1EF2 19 
A1EF2 C21 C20 C 0 1 N N N N N N 153.690 128.405 120.596 -1.556  0.749  0.635  C21 A1EF2 20 
A1EF2 C22 C21 C 0 1 N N N N N N 154.885 127.717 120.898 -2.631  -0.106 0.539  C22 A1EF2 21 
A1EF2 C23 C22 C 0 1 N N N N N N 156.131 128.363 121.010 -3.935  0.397  0.621  C23 A1EF2 22 
A1EF2 C24 C23 C 0 1 N N N N N N 157.321 127.910 121.556 -5.010  -0.458 0.526  C24 A1EF2 23 
A1EF2 C25 C24 C 0 1 N N N N N N 158.467 128.755 121.779 -6.316  0.046  0.608  C25 A1EF2 24 
A1EF2 C26 C25 C 0 1 N N N N N N 159.614 128.534 122.413 -7.381  -0.801 0.513  C26 A1EF2 25 
A1EF2 C27 C26 C 0 1 N N N N N N 160.651 129.629 122.451 -8.691  -0.296 0.595  C27 A1EF2 26 
A1EF2 C28 C27 C 0 1 N N N N N N 162.023 129.303 123.000 -9.752  -1.140 0.501  C28 A1EF2 27 
A1EF2 C29 C28 C 0 1 N N N N N N 162.910 130.480 122.736 -11.072 -0.631 0.584  C29 A1EF2 28 
A1EF2 C30 C29 C 0 1 N N N N N N 164.200 130.648 123.006 -12.116 -1.461 0.491  C30 A1EF2 29 
A1EF2 C31 C30 C 0 1 N N N N N N 164.906 131.903 122.570 -13.519 -0.920 0.579  C31 A1EF2 30 
A1EF2 C32 C31 C 0 1 N N N N N N 166.342 132.085 123.014 -14.059 -0.670 -0.831 C32 A1EF2 31 
A1EF2 C33 C32 C 0 1 N N N N N N 166.872 133.416 122.575 -15.462 -0.129 -0.743 C33 A1EF2 32 
A1EF2 C34 C33 C 0 1 N N N N N N 168.065 133.945 122.794 -15.766 1.003  -1.329 C34 A1EF2 33 
A1EF2 C35 C34 C 0 1 N N N N N N 169.134 133.243 123.574 -14.712 1.763  -2.091 C35 A1EF2 34 
A1EF2 C37 C35 C 0 1 N N N N N N 143.406 128.533 118.959 7.702   3.582  0.875  C37 A1EF2 35 
A1EF2 C38 C36 C 0 1 N N N N N N 148.422 129.702 120.156 2.967   2.922  0.853  C38 A1EF2 36 
A1EF2 C39 C37 C 0 1 N N N N N N 154.826 126.252 121.117 -2.404  -1.583 0.347  C39 A1EF2 37 
A1EF2 C40 C38 C 0 1 N N N N N N 159.970 127.262 123.127 -7.154  -2.279 0.321  C40 A1EF2 38 
A1EF2 C41 C39 C 0 1 N N N N N N 165.043 129.648 123.740 -11.888 -2.938 0.299  C41 A1EF2 39 
A1EF2 C42 C40 C 0 1 N N N N N N 168.453 135.297 122.278 -17.170 1.544  -1.241 C42 A1EF2 40 
A1EF2 H1  H1  H 0 1 N N N N N N 137.816 126.084 116.577 10.163  0.443  -3.386 H1  A1EF2 41 
A1EF2 H2  H2  H 0 1 N N N N N N 139.000 127.275 117.215 10.845  -1.197 -3.267 H2  A1EF2 42 
A1EF2 H3  H3  H 0 1 N N N N N N 139.440 126.229 115.822 9.581   -0.674 -2.129 H3  A1EF2 43 
A1EF2 H4  H4  H 0 1 N N N N N N 137.070 124.324 116.507 12.166  -2.424 -1.240 H4  A1EF2 44 
A1EF2 H5  H5  H 0 1 N N N N N N 136.682 125.396 117.895 12.627  -1.414 0.151  H5  A1EF2 45 
A1EF2 H6  H6  H 0 1 N N N N N N 136.448 122.648 118.802 14.693  -2.678 -1.797 H6  A1EF2 46 
A1EF2 H7  H7  H 0 1 N N N N N N 134.495 121.573 119.096 13.705  -2.638 1.971  H7  A1EF2 47 
A1EF2 H8  H8  H 0 1 N N N N N N 133.075 122.668 118.984 15.170  -1.658 2.224  H8  A1EF2 48 
A1EF2 H9  H9  H 0 1 N N N N N N 133.480 121.578 117.614 13.792  -0.983 1.321  H9  A1EF2 49 
A1EF2 H10 H10 H 0 1 N N N N N N 133.003 123.906 116.805 17.066  -2.331 0.064  H10 A1EF2 50 
A1EF2 H11 H11 H 0 1 N N N N N N 134.134 125.226 117.260 16.472  -3.552 1.215  H11 A1EF2 51 
A1EF2 H12 H12 H 0 1 N N N N N N 134.533 124.133 115.891 16.334  -3.839 -0.536 H12 A1EF2 52 
A1EF2 H13 H13 H 0 1 N N N N N N 138.373 124.196 119.253 13.611  0.261  -1.390 H13 A1EF2 53 
A1EF2 H14 H14 H 0 1 N N N N N N 138.791 123.205 117.814 13.151  -0.749 -2.781 H14 A1EF2 54 
A1EF2 H16 H16 H 0 1 N N N N N N 141.000 124.274 118.584 12.019  1.558  -0.317 H16 A1EF2 55 
A1EF2 H17 H17 H 0 1 N N N N N N 141.603 126.634 117.043 9.829   2.725  -1.149 H17 A1EF2 56 
A1EF2 H18 H18 H 0 1 N N N N N N 143.063 125.481 119.212 9.338   0.516  0.899  H18 A1EF2 57 
A1EF2 H19 H19 H 0 1 N N N N N N 143.432 125.671 117.465 9.985   2.136  1.254  H19 A1EF2 58 
A1EF2 H20 H20 H 0 1 N N N N N N 145.654 125.999 118.432 7.049   0.216  0.453  H20 A1EF2 59 
A1EF2 H21 H21 H 0 1 N N N N N N 146.007 128.876 119.346 5.402   2.842  0.811  H21 A1EF2 60 
A1EF2 H22 H22 H 0 1 N N N N N N 147.922 126.580 118.836 4.667   -0.119 0.441  H22 A1EF2 61 
A1EF2 H24 H24 H 0 1 N N N N N N 150.149 126.816 119.492 2.292   -0.461 0.429  H24 A1EF2 62 
A1EF2 H25 H25 H 0 1 N N N N N N 151.115 129.544 120.371 0.661   2.160  0.786  H25 A1EF2 63 
A1EF2 H26 H26 H 0 1 N N N N N N 152.400 126.817 120.351 -0.088  -0.813 0.415  H26 A1EF2 64 
A1EF2 H27 H27 H 0 1 N N N N N N 153.777 129.479 120.526 -1.719  1.808  0.773  H27 A1EF2 65 
A1EF2 H29 H29 H 0 1 N N N N N N 156.164 129.365 120.609 -4.098  1.456  0.759  H29 A1EF2 66 
A1EF2 H30 H30 H 0 1 N N N N N N 157.394 126.868 121.829 -4.847  -1.516 0.388  H30 A1EF2 67 
A1EF2 H31 H31 H 0 1 N N N N N N 158.378 129.744 121.355 -6.479  1.105  0.746  H31 A1EF2 68 
A1EF2 H32 H32 H 0 1 N N N N N N 160.420 130.622 122.095 -8.854  0.762  0.733  H32 A1EF2 69 
A1EF2 H34 H34 H 0 1 N N N N N N 162.311 128.386 123.493 -9.589  -2.199 0.363  H34 A1EF2 70 
A1EF2 H36 H36 H 0 1 N N N N N N 162.429 131.318 122.254 -11.235 0.428  0.722  H36 A1EF2 71 
A1EF2 H37 H37 H 0 1 N N N N N N 164.896 131.922 121.470 -14.156 -1.642 1.089  H37 A1EF2 72 
A1EF2 H38 H38 H 0 1 N N N N N N 164.330 132.757 122.957 -13.513 0.017  1.137  H38 A1EF2 73 
A1EF2 H39 H39 H 0 1 N N N N N N 166.391 132.022 124.111 -13.422 0.053  -1.341 H39 A1EF2 74 
A1EF2 H40 H40 H 0 1 N N N N N N 166.959 131.288 122.573 -14.065 -1.607 -1.388 H40 A1EF2 75 
A1EF2 H41 H41 H 0 1 N N N N N N 166.188 134.026 122.003 -16.218 -0.674 -0.196 H41 A1EF2 76 
A1EF2 H42 H42 H 0 1 N N N N N N 168.761 132.264 123.910 -14.329 1.141  -2.901 H42 A1EF2 77 
A1EF2 H43 H43 H 0 1 N N N N N N 170.018 133.098 122.936 -15.148 2.672  -2.506 H43 A1EF2 78 
A1EF2 H44 H44 H 0 1 N N N N N N 169.409 133.851 124.449 -13.895 2.026  -1.418 H44 A1EF2 79 
A1EF2 H45 H45 H 0 1 N N N N N N 144.245 129.211 119.175 7.634   4.068  -0.098 H45 A1EF2 80 
A1EF2 H46 H46 H 0 1 N N N N N N 142.843 128.911 118.093 6.774   3.738  1.426  H46 A1EF2 81 
A1EF2 H47 H47 H 0 1 N N N N N N 142.741 128.482 119.834 8.534   4.007  1.437  H47 A1EF2 82 
A1EF2 H48 H48 H 0 1 N N N N N N 149.351 130.171 120.511 2.899   3.409  -0.120 H48 A1EF2 83 
A1EF2 H49 H49 H 0 1 N N N N N N 148.008 130.292 119.325 2.040   3.078  1.404  H49 A1EF2 84 
A1EF2 H50 H50 H 0 1 N N N N N N 147.693 129.665 120.979 3.799   3.348  1.415  H50 A1EF2 85 
A1EF2 H51 H51 H 0 1 N N N N N N 155.834 125.873 121.340 -2.335  -2.070 1.320  H51 A1EF2 86 
A1EF2 H52 H52 H 0 1 N N N N N N 154.157 126.034 121.963 -3.235  -2.009 -0.214 H52 A1EF2 87 
A1EF2 H53 H53 H 0 1 N N N N N N 154.442 125.761 120.210 -1.476  -1.740 -0.203 H53 A1EF2 88 
A1EF2 H54 H54 H 0 1 N N N N N N 160.977 127.354 123.561 -7.086  -2.765 1.294  H54 A1EF2 89 
A1EF2 H55 H55 H 0 1 N N N N N N 159.241 127.076 123.929 -7.986  -2.704 -0.241 H55 A1EF2 90 
A1EF2 H56 H56 H 0 1 N N N N N N 159.953 126.424 122.414 -6.226  -2.435 -0.229 H56 A1EF2 91 
A1EF2 H57 H57 H 0 1 N N N N N N 164.428 128.776 124.009 -11.820 -3.425 1.272  H57 A1EF2 92 
A1EF2 H58 H58 H 0 1 N N N N N N 165.874 129.326 123.095 -12.720 -3.364 -0.262 H58 A1EF2 93 
A1EF2 H59 H59 H 0 1 N N N N N N 165.445 130.109 124.654 -10.961 -3.095 -0.251 H59 A1EF2 94 
A1EF2 H60 H60 H 0 1 N N N N N N 169.485 135.524 122.582 -17.258 2.185  -0.364 H60 A1EF2 95 
A1EF2 H61 H61 H 0 1 N N N N N N 168.385 135.304 121.180 -17.393 2.122  -2.138 H61 A1EF2 96 
A1EF2 H62 H62 H 0 1 N N N N N N 167.773 136.056 122.692 -17.874 0.716  -1.158 H62 A1EF2 97 
A1EF2 H15 H15 H 0 1 N N N N N N 141.282 127.034 118.765 9.182   1.106  -1.505 H15 A1EF2 98 
# 
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 
A1EF2 C5  C9  SING N N 1  
A1EF2 C6  C1  SING N N 2  
A1EF2 C4  C3  SING N N 3  
A1EF2 C4  C8  SING N N 4  
A1EF2 C9  C10 DOUB N E 5  
A1EF2 C9  C8  SING N N 6  
A1EF2 C1  C3  DOUB N N 7  
A1EF2 C1  C2  SING N N 8  
A1EF2 C11 C10 SING N N 9  
A1EF2 C11 C12 SING N N 10 
A1EF2 C12 C13 SING N N 11 
A1EF2 C13 C14 DOUB N E 12 
A1EF2 C13 C37 SING N N 13 
A1EF2 C14 C15 SING N N 14 
A1EF2 C15 C16 DOUB N E 15 
A1EF2 C16 C17 SING N N 16 
A1EF2 C17 C18 DOUB N E 17 
A1EF2 C17 C38 SING N N 18 
A1EF2 C18 C19 SING N N 19 
A1EF2 C19 C20 DOUB N E 20 
A1EF2 C20 C21 SING N N 21 
A1EF2 C21 C22 DOUB N E 22 
A1EF2 C22 C23 SING N N 23 
A1EF2 C22 C39 SING N N 24 
A1EF2 C23 C24 DOUB N E 25 
A1EF2 C24 C25 SING N N 26 
A1EF2 C25 C26 DOUB N E 27 
A1EF2 C42 C34 SING N N 28 
A1EF2 C26 C27 SING N N 29 
A1EF2 C26 C40 SING N N 30 
A1EF2 C27 C28 DOUB N E 31 
A1EF2 C31 C30 SING N N 32 
A1EF2 C31 C32 SING N N 33 
A1EF2 C33 C34 DOUB N N 34 
A1EF2 C33 C32 SING N N 35 
A1EF2 C29 C28 SING N N 36 
A1EF2 C29 C30 DOUB N E 37 
A1EF2 C34 C35 SING N N 38 
A1EF2 C30 C41 SING N N 39 
A1EF2 C5  H1  SING N N 40 
A1EF2 C5  H2  SING N N 41 
A1EF2 C5  H3  SING N N 42 
A1EF2 C4  H4  SING N N 43 
A1EF2 C4  H5  SING N N 44 
A1EF2 C3  H6  SING N N 45 
A1EF2 C2  H7  SING N N 46 
A1EF2 C2  H8  SING N N 47 
A1EF2 C2  H9  SING N N 48 
A1EF2 C6  H10 SING N N 49 
A1EF2 C6  H11 SING N N 50 
A1EF2 C6  H12 SING N N 51 
A1EF2 C8  H13 SING N N 52 
A1EF2 C8  H14 SING N N 53 
A1EF2 C10 H16 SING N N 54 
A1EF2 C11 H17 SING N N 55 
A1EF2 C12 H18 SING N N 56 
A1EF2 C12 H19 SING N N 57 
A1EF2 C14 H20 SING N N 58 
A1EF2 C15 H21 SING N N 59 
A1EF2 C16 H22 SING N N 60 
A1EF2 C18 H24 SING N N 61 
A1EF2 C19 H25 SING N N 62 
A1EF2 C20 H26 SING N N 63 
A1EF2 C21 H27 SING N N 64 
A1EF2 C23 H29 SING N N 65 
A1EF2 C24 H30 SING N N 66 
A1EF2 C25 H31 SING N N 67 
A1EF2 C27 H32 SING N N 68 
A1EF2 C28 H34 SING N N 69 
A1EF2 C29 H36 SING N N 70 
A1EF2 C31 H37 SING N N 71 
A1EF2 C31 H38 SING N N 72 
A1EF2 C32 H39 SING N N 73 
A1EF2 C32 H40 SING N N 74 
A1EF2 C33 H41 SING N N 75 
A1EF2 C35 H42 SING N N 76 
A1EF2 C35 H43 SING N N 77 
A1EF2 C35 H44 SING N N 78 
A1EF2 C37 H45 SING N N 79 
A1EF2 C37 H46 SING N N 80 
A1EF2 C37 H47 SING N N 81 
A1EF2 C38 H48 SING N N 82 
A1EF2 C38 H49 SING N N 83 
A1EF2 C38 H50 SING N N 84 
A1EF2 C39 H51 SING N N 85 
A1EF2 C39 H52 SING N N 86 
A1EF2 C39 H53 SING N N 87 
A1EF2 C40 H54 SING N N 88 
A1EF2 C40 H55 SING N N 89 
A1EF2 C40 H56 SING N N 90 
A1EF2 C41 H57 SING N N 91 
A1EF2 C41 H58 SING N N 92 
A1EF2 C41 H59 SING N N 93 
A1EF2 C42 H60 SING N N 94 
A1EF2 C42 H61 SING N N 95 
A1EF2 C42 H62 SING N N 96 
A1EF2 C11 H15 SING N N 97 
# 
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 
A1EF2 InChI            InChI                1.06  "InChI=1S/C40H58/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15-17,19-22,25-31H,13-14,18,23-24,32H2,1-10H3/b12-11+,25-15+,26-16+,31-17+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+" 
A1EF2 InChIKey         InChI                1.06  ATCICVFRSJQYDV-XILUKMICSA-N                                                                                                                                                                                                                                   
A1EF2 SMILES_CANONICAL CACTVS               3.385 "CC(C)=CCCC(/C)=C/CC\C(C)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C=C(C)\CCC=C(C)C"                                                                                                                                                                            
A1EF2 SMILES           CACTVS               3.385 "CC(C)=CCCC(C)=CCCC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCC=C(C)C"                                                                                                                                                                                        
A1EF2 SMILES_CANONICAL "OpenEye OEToolkits" 2.0.7 "CC(=CCC/C(=C/CC/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/CCC=C(C)C)/C)/C)/C)C"                                                                                                                                                                      
A1EF2 SMILES           "OpenEye OEToolkits" 2.0.7 "CC(=CCCC(=CCCC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCC=C(C)C)C)C)C)C"                                                                                                                                                                                        
# 
_pdbx_chem_comp_identifier.comp_id           A1EF2 
_pdbx_chem_comp_identifier.type              "SYSTEMATIC NAME" 
_pdbx_chem_comp_identifier.program           "OpenEye OEToolkits" 
_pdbx_chem_comp_identifier.program_version   2.0.7 
_pdbx_chem_comp_identifier.identifier        "(6~{E},8~{E},10~{E},12~{E},14~{E},16~{E},18~{E},20~{E},22~{E},26~{E})-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,26,30-dodecaene" 
# 
loop_
_pdbx_chem_comp_synonyms.ordinal 
_pdbx_chem_comp_synonyms.comp_id 
_pdbx_chem_comp_synonyms.name 
_pdbx_chem_comp_synonyms.provenance 
_pdbx_chem_comp_synonyms.type 
1 A1EF2 Neurosporene PUBCHEM ? 
2 A1EF2 Neurosporin  PUBCHEM ? 
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
A1EF2 "Create component" 2024-11-21 PDBC 
A1EF2 "Initial release"  2025-11-19 RCSB 
# 
