data_ULI # _chem_comp.id ULI _chem_comp.name tetracontane _chem_comp.type NON-POLYMER _chem_comp.pdbx_type HETAIN _chem_comp.formula "C40 H82" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms n-Tetracontane _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 2011-08-18 _chem_comp.pdbx_modified_date 2021-03-01 _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 563.079 _chem_comp.one_letter_code ? _chem_comp.three_letter_code ULI _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 3T8X _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 ULI CAA CAA C 0 1 N N N 81.095 -2.321 63.131 24.361 0.405 0.032 CAA ULI 1 ULI CAB CAB C 0 1 N N N 82.116 -3.474 63.152 23.110 -0.473 -0.038 CAB ULI 2 ULI CAC CAC C 0 1 N N N 81.546 -4.725 63.858 21.862 0.409 0.032 CAC ULI 3 ULI CAD CAD C 0 1 N N N 82.125 -6.028 63.289 20.612 -0.470 -0.037 CAD ULI 4 ULI CAE CAE C 0 1 N N N 81.881 -7.227 64.240 19.364 0.413 0.032 CAE ULI 5 ULI CAF CAF C 0 1 N N N 81.990 -8.504 63.436 18.113 -0.466 -0.037 CAF ULI 6 ULI CAG CAG C 0 1 N N N 81.937 -9.804 64.227 16.865 0.416 0.033 CAG ULI 7 ULI CAH CAH C 0 1 N N N 82.920 -9.698 65.359 15.615 -0.463 -0.037 CAH ULI 8 ULI CAI CAI C 0 1 N N N 83.349 -11.076 65.862 14.367 0.420 0.033 CAI ULI 9 ULI CAJ CAJ C 0 1 N N N 84.135 -10.787 67.120 13.116 -0.459 -0.036 CAJ ULI 10 ULI CAK CAK C 0 1 N N N 83.653 -11.549 68.343 11.868 0.423 0.033 CAK ULI 11 ULI CAL CAL C 0 1 N N N 83.950 -10.735 69.606 10.618 -0.456 -0.036 CAL ULI 12 ULI CAM CAM C 0 1 N N N 83.572 -11.537 70.836 9.370 0.427 0.034 CAM ULI 13 ULI CAN CAN C 0 1 N N N 82.703 -10.812 71.826 8.119 -0.452 -0.036 CAN ULI 14 ULI CAO CAO C 0 1 N N N 82.482 -11.753 72.936 6.871 0.431 0.034 CAO ULI 15 ULI CAP CAP C 0 1 N N N 83.016 -11.143 74.190 5.621 -0.448 -0.035 CAP ULI 16 ULI CAQ CAQ C 0 1 N N N 83.142 -12.291 75.168 4.373 0.434 0.034 CAQ ULI 17 ULI CAR CAR C 0 1 N N N 84.466 -12.282 75.900 3.122 -0.445 -0.035 CAR ULI 18 ULI CAS CAS C 0 1 N N N 84.830 -13.696 76.307 1.875 0.438 0.034 CAS ULI 19 ULI CAT CAT C 0 1 N N N 84.295 -13.982 77.670 0.624 -0.441 -0.035 CAT ULI 20 ULI CAU CAU C 0 1 N N N 84.655 -15.414 77.917 -0.624 0.441 0.035 CAU ULI 21 ULI CAV CAV C 0 1 N N N 86.072 -15.372 78.387 -1.875 -0.438 -0.034 CAV ULI 22 ULI CAW CAW C 0 1 N N N 86.376 -16.621 79.200 -3.122 0.445 0.035 CAW ULI 23 ULI CAX CAX C 0 1 N N N 96.183 -11.072 79.391 -23.110 0.473 0.038 CAX ULI 24 ULI CAY CAY C 0 1 N N N 95.149 -11.977 79.674 -21.862 -0.409 -0.032 CAY ULI 25 ULI CAZ CAZ C 0 1 N N N 95.401 -13.363 79.759 -20.612 0.470 0.037 CAZ ULI 26 ULI CBA CBA C 0 1 N N N 94.425 -14.192 80.663 -19.364 -0.413 -0.032 CBA ULI 27 ULI CBB CBB C 0 1 N N N 94.027 -15.521 79.946 -18.113 0.466 0.037 CBB ULI 28 ULI CBC CBC C 0 1 N N N 93.375 -16.586 80.823 -16.865 -0.416 -0.033 CBC ULI 29 ULI CBD CBD C 0 1 N N N 93.328 -17.940 80.113 -15.615 0.463 0.037 CBD ULI 30 ULI CBE CBE C 0 1 N N N 92.885 -19.046 81.062 -14.367 -0.420 -0.033 CBE ULI 31 ULI CBF CBF C 0 1 N N N 92.331 -20.230 80.270 -13.116 0.459 0.036 CBF ULI 32 ULI CBG CBG C 0 1 N N N 91.376 -21.087 81.072 -11.868 -0.423 -0.033 CBG ULI 33 ULI CBH CBH C 0 1 N N N 90.004 -21.198 80.392 -10.618 0.456 0.036 CBH ULI 34 ULI CBI CBI C 0 1 N N N 89.186 -19.988 80.816 -9.370 -0.427 -0.034 CBI ULI 35 ULI CBJ CBJ C 0 1 N N N 87.753 -20.114 80.311 -8.119 0.452 0.036 CBJ ULI 36 ULI CBK CBK C 0 1 N N N 87.223 -18.781 79.837 -6.871 -0.431 -0.034 CBK ULI 37 ULI CBL CBL C 0 1 N N N 85.750 -18.908 79.443 -5.621 0.448 0.035 CBL ULI 38 ULI CBM CBM C 0 1 N N N 85.167 -17.522 79.236 -4.373 -0.434 -0.034 CBM ULI 39 ULI HAA HAA H 0 1 N N N 81.535 -1.450 62.622 24.362 0.963 0.969 HAA ULI 40 ULI HAAA HAAA H 0 0 N N N 80.191 -2.642 62.593 25.250 -0.223 -0.018 HAAA ULI 41 ULI HAAB HAAB H 0 0 N N N 80.830 -2.047 64.163 24.362 1.103 -0.806 HAAB ULI 42 ULI HAB HAB H 0 1 N N N 82.373 -3.738 62.116 23.109 -1.031 -0.974 HAB ULI 43 ULI HABA HABA H 0 0 N N N 83.015 -3.141 63.692 23.109 -1.171 0.800 HABA ULI 44 ULI HAC HAC H 0 1 N N N 81.797 -4.668 64.928 21.863 0.966 0.969 HAC ULI 45 ULI HACA HACA H 0 0 N N N 80.455 -4.738 63.721 21.863 1.106 -0.806 HACA ULI 46 ULI HAD HAD H 0 1 N N N 81.640 -6.238 62.324 20.611 -1.027 -0.974 HAD ULI 47 ULI HADA HADA H 0 0 N N N 83.209 -5.902 63.150 20.611 -1.167 0.800 HADA ULI 48 ULI HAE HAE H 0 1 N N N 82.633 -7.226 65.043 19.365 0.970 0.969 HAE ULI 49 ULI HAEA HAEA H 0 0 N N N 80.878 -7.151 64.686 19.365 1.110 -0.805 HAEA ULI 50 ULI HAF HAF H 0 1 N N N 81.148 -8.518 62.729 18.112 -1.024 -0.974 HAF ULI 51 ULI HAFA HAFA H 0 0 N N N 82.957 -8.479 62.913 18.112 -1.164 0.801 HAFA ULI 52 ULI HAG HAG H 0 1 N N N 80.923 -9.962 64.623 16.866 0.974 0.970 HAG ULI 53 ULI HAGA HAGA H 0 0 N N N 82.202 -10.651 63.577 16.866 1.113 -0.805 HAGA ULI 54 ULI HAH HAH H 0 1 N N N 83.810 -9.157 65.005 15.614 -1.020 -0.973 HAH ULI 55 ULI HAHA HAHA H 0 0 N N N 82.448 -9.150 66.188 15.614 -1.160 0.801 HAHA ULI 56 ULI HAI HAI H 0 1 N N N 82.477 -11.712 66.075 14.368 0.977 0.970 HAI ULI 57 ULI HAIA HAIA H 0 0 N N N 83.968 -11.597 65.117 14.368 1.117 -0.805 HAIA ULI 58 ULI HAJ HAJ H 0 1 N N N 85.183 -11.068 66.937 13.116 -1.016 -0.973 HAJ ULI 59 ULI HAJA HAJA H 0 0 N N N 84.048 -9.712 67.335 13.116 -1.156 0.801 HAJA ULI 60 ULI HAK HAK H 0 1 N N N 82.569 -11.719 68.264 11.869 0.981 0.970 HAK ULI 61 ULI HAKA HAKA H 0 0 N N N 84.174 -12.516 68.400 11.869 1.121 -0.804 HAKA ULI 62 ULI HAL HAL H 0 1 N N N 85.023 -10.497 69.642 10.617 -1.013 -0.973 HAL ULI 63 ULI HALA HALA H 0 0 N N N 83.366 -9.803 69.585 10.617 -1.153 0.802 HALA ULI 64 ULI HAM HAM H 0 1 N N N 83.021 -12.427 70.498 9.371 0.984 0.970 HAM ULI 65 ULI HAMA HAMA H 0 0 N N N 84.503 -11.817 71.351 9.371 1.124 -0.804 HAMA ULI 66 ULI HAN HAN H 0 1 N N N 83.201 -9.899 72.184 8.118 -1.009 -0.972 HAN ULI 67 ULI HANA HANA H 0 0 N N N 81.747 -10.524 71.365 8.118 -1.149 0.802 HANA ULI 68 ULI HAO HAO H 0 1 N N N 81.406 -11.951 73.047 6.872 0.988 0.971 HAO ULI 69 ULI HAOA HAOA H 0 0 N N N 83.004 -12.699 72.731 6.872 1.128 -0.804 HAOA ULI 70 ULI HAP HAP H 0 1 N N N 83.993 -10.670 74.012 5.620 -1.006 -0.972 HAP ULI 71 ULI HAPA HAPA H 0 0 N N N 82.331 -10.373 74.575 5.620 -1.146 0.802 HAPA ULI 72 ULI HAQ HAQ H 0 1 N N N 82.333 -12.209 75.909 4.374 0.991 0.971 HAQ ULI 73 ULI HAQA HAQA H 0 0 N N N 83.058 -13.235 74.610 4.374 1.131 -0.803 HAQA ULI 74 ULI HAR HAR H 0 1 N N N 85.247 -11.879 75.239 3.122 -1.002 -0.972 HAR ULI 75 ULI HARA HARA H 0 0 N N N 84.384 -11.652 76.798 3.122 -1.142 0.803 HARA ULI 76 ULI HAS HAS H 0 1 N N N 84.395 -14.406 75.588 1.875 0.995 0.971 HAS ULI 77 ULI HASA HASA H 0 0 N N N 85.925 -13.803 76.315 1.875 1.135 -0.803 HASA ULI 78 ULI HAT HAT H 0 1 N N N 84.750 -13.322 78.423 0.623 -0.998 -0.971 HAT ULI 79 ULI HATA HATA H 0 0 N N N 83.206 -13.833 77.710 0.623 -1.139 0.803 HATA ULI 80 ULI HAU HAU H 0 1 N N N 83.999 -15.862 78.678 -0.623 0.998 0.971 HAU ULI 81 ULI HAUA HAUA H 0 0 N N N 84.560 -16.011 76.998 -0.623 1.139 -0.803 HAUA ULI 82 ULI HAV HAV H 0 1 N N N 86.745 -15.328 77.518 -1.875 -0.995 -0.971 HAV ULI 83 ULI HAVA HAVA H 0 0 N N N 86.224 -14.481 79.014 -1.875 -1.135 0.803 HAVA ULI 84 ULI HAW HAW H 0 1 N N N 87.216 -17.159 78.738 -3.122 1.002 0.972 HAW ULI 85 ULI HAWA HAWA H 0 0 N N N 86.643 -16.330 80.227 -3.122 1.142 -0.803 HAWA ULI 86 ULI HAX HAX H 0 1 N N N 95.448 -10.357 78.992 -23.109 1.031 0.974 HAX ULI 87 ULI HAXA HAXA H 0 0 N N N 96.453 -11.046 80.457 -23.109 1.171 -0.800 HAXA ULI 88 ULI HAY HAY H 0 1 N N N 94.754 -11.683 80.658 -21.863 -1.106 0.806 HAY ULI 89 ULI HAZ HAZ H 0 1 N N N 95.328 -13.771 78.740 -20.611 1.167 -0.800 HAZ ULI 90 ULI HAZA HAZA H 0 0 N N N 96.413 -13.486 80.173 -20.611 1.027 0.974 HAZA ULI 91 ULI HBA HBA H 0 1 N N N 94.924 -14.428 81.614 -19.365 -1.110 0.805 HBA ULI 92 ULI HBAA HBAA H 0 0 N N N 93.519 -13.599 80.857 -19.365 -0.970 -0.969 HBAA ULI 93 ULI HBB HBB H 0 1 N N N 93.308 -15.264 79.154 -18.112 1.164 -0.801 HBB ULI 94 ULI HBBA HBBA H 0 0 N N N 94.947 -15.957 79.530 -18.112 1.024 0.974 HBBA ULI 95 ULI HBC HBC H 0 1 N N N 93.959 -16.690 81.749 -16.866 -1.113 0.805 HBC ULI 96 ULI HBCA HBCA H 0 0 N N N 92.347 -16.272 81.058 -16.866 -0.974 -0.970 HBCA ULI 97 ULI HBD HBD H 0 1 N N N 92.614 -17.880 79.278 -15.614 1.160 -0.801 HBD ULI 98 ULI HBDA HBDA H 0 0 N N N 94.333 -18.178 79.733 -15.614 1.020 0.973 HBDA ULI 99 ULI HBE HBE H 0 1 N N N 93.748 -19.380 81.657 -14.368 -1.117 0.805 HBE ULI 100 ULI HBEA HBEA H 0 0 N N N 92.102 -18.658 81.730 -14.368 -0.977 -0.970 HBEA ULI 101 ULI HBF HBF H 0 1 N N N 91.791 -19.838 79.396 -13.116 1.156 -0.801 HBF ULI 102 ULI HBFA HBFA H 0 0 N N N 93.176 -20.859 79.954 -13.116 1.016 0.973 HBFA ULI 103 ULI HBG HBG H 0 1 N N N 91.804 -22.096 81.170 -11.869 -1.121 0.804 HBG ULI 104 ULI HBGA HBGA H 0 0 N N N 91.242 -20.633 82.065 -11.869 -0.981 -0.970 HBGA ULI 105 ULI HBH HBH H 0 1 N N N 90.123 -21.211 79.299 -10.617 1.153 -0.802 HBH ULI 106 ULI HBHA HBHA H 0 0 N N N 89.500 -22.125 80.704 -10.617 1.013 0.973 HBHA ULI 107 ULI HBI HBI H 0 1 N N N 89.178 -19.924 81.914 -9.371 -1.124 0.804 HBI ULI 108 ULI HBIA HBIA H 0 0 N N N 89.639 -19.079 80.394 -9.371 -0.984 -0.970 HBIA ULI 109 ULI HBJ HBJ H 0 1 N N N 87.732 -20.825 79.472 -8.118 1.149 -0.802 HBJ ULI 110 ULI HBJA HBJA H 0 0 N N N 87.117 -20.480 81.131 -8.118 1.009 0.972 HBJA ULI 111 ULI HBK HBK H 0 1 N N N 87.319 -18.044 80.648 -6.872 -1.128 0.804 HBK ULI 112 ULI HBKA HBKA H 0 0 N N N 87.804 -18.450 78.964 -6.872 -0.988 -0.971 HBKA ULI 113 ULI HBL HBL H 0 1 N N N 85.667 -19.486 78.511 -5.620 1.146 -0.802 HBL ULI 114 ULI HBLA HBLA H 0 0 N N N 85.198 -19.424 80.243 -5.620 1.006 0.972 HBLA ULI 115 ULI HBM HBM H 0 1 N N N 84.487 -17.247 80.055 -4.374 -0.991 -0.971 HBM ULI 116 ULI HBMA HBMA H 0 0 N N N 84.596 -17.464 78.298 -4.374 -1.131 0.803 HBMA ULI 117 ULI C40 C40 C 0 1 N N N 97.319 -10.080 79.079 -24.361 -0.405 -0.032 C40 ULI 118 ULI H79 H79 H 0 1 N N N 94.414 -11.855 78.865 -21.863 -0.966 -0.969 H79 ULI 119 ULI H80 H80 H 0 1 N N N 97.152 -9.145 79.633 -24.362 -1.103 0.806 H80 ULI 120 ULI H81 H81 H 0 1 N N N 98.282 -10.518 79.381 -25.250 0.223 0.018 H81 ULI 121 ULI H82 H82 H 0 1 N N N 97.335 -9.868 78.000 -24.362 -0.963 -0.969 H82 ULI 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 ULI CAA CAB SING N N 1 ULI CAA HAA SING N N 2 ULI CAA HAAA SING N N 3 ULI CAA HAAB SING N N 4 ULI CAB CAC SING N N 5 ULI CAB HAB SING N N 6 ULI CAB HABA SING N N 7 ULI CAC HAC SING N N 8 ULI CAC HACA SING N N 9 ULI CAD CAC SING N N 10 ULI CAD CAE SING N N 11 ULI CAD HAD SING N N 12 ULI CAD HADA SING N N 13 ULI CAE HAE SING N N 14 ULI CAE HAEA SING N N 15 ULI CAF CAE SING N N 16 ULI CAF CAG SING N N 17 ULI CAF HAF SING N N 18 ULI CAF HAFA SING N N 19 ULI CAG CAH SING N N 20 ULI CAG HAG SING N N 21 ULI CAG HAGA SING N N 22 ULI CAH CAI SING N N 23 ULI CAH HAH SING N N 24 ULI CAH HAHA SING N N 25 ULI CAI CAJ SING N N 26 ULI CAI HAI SING N N 27 ULI CAI HAIA SING N N 28 ULI CAJ CAK SING N N 29 ULI CAJ HAJ SING N N 30 ULI CAJ HAJA SING N N 31 ULI CAK CAL SING N N 32 ULI CAK HAK SING N N 33 ULI CAK HAKA SING N N 34 ULI CAL CAM SING N N 35 ULI CAL HAL SING N N 36 ULI CAL HALA SING N N 37 ULI CAM CAN SING N N 38 ULI CAM HAM SING N N 39 ULI CAM HAMA SING N N 40 ULI CAN CAO SING N N 41 ULI CAN HAN SING N N 42 ULI CAN HANA SING N N 43 ULI CAO CAP SING N N 44 ULI CAO HAO SING N N 45 ULI CAO HAOA SING N N 46 ULI CAP CAQ SING N N 47 ULI CAP HAP SING N N 48 ULI CAP HAPA SING N N 49 ULI CAQ CAR SING N N 50 ULI CAQ HAQ SING N N 51 ULI CAQ HAQA SING N N 52 ULI CAR CAS SING N N 53 ULI CAR HAR SING N N 54 ULI CAR HARA SING N N 55 ULI CAS CAT SING N N 56 ULI CAS HAS SING N N 57 ULI CAS HASA SING N N 58 ULI CAT CAU SING N N 59 ULI CAT HAT SING N N 60 ULI CAT HATA SING N N 61 ULI CAU CAV SING N N 62 ULI CAU HAU SING N N 63 ULI CAU HAUA SING N N 64 ULI CAV CAW SING N N 65 ULI CAV HAV SING N N 66 ULI CAV HAVA SING N N 67 ULI CAW CBM SING N N 68 ULI CAW HAW SING N N 69 ULI CAW HAWA SING N N 70 ULI CAX CAY SING N N 71 ULI CAX HAX SING N N 72 ULI CAX HAXA SING N N 73 ULI CAY CAZ SING N N 74 ULI CAY HAY SING N N 75 ULI CAZ CBA SING N N 76 ULI CAZ HAZ SING N N 77 ULI CAZ HAZA SING N N 78 ULI CBA HBA SING N N 79 ULI CBA HBAA SING N N 80 ULI CBB CBA SING N N 81 ULI CBB CBC SING N N 82 ULI CBB HBB SING N N 83 ULI CBB HBBA SING N N 84 ULI CBC HBC SING N N 85 ULI CBC HBCA SING N N 86 ULI CBD CBC SING N N 87 ULI CBD CBE SING N N 88 ULI CBD HBD SING N N 89 ULI CBD HBDA SING N N 90 ULI CBE HBE SING N N 91 ULI CBE HBEA SING N N 92 ULI CBF CBE SING N N 93 ULI CBF CBG SING N N 94 ULI CBF HBF SING N N 95 ULI CBF HBFA SING N N 96 ULI CBG HBG SING N N 97 ULI CBG HBGA SING N N 98 ULI CBH CBG SING N N 99 ULI CBH CBI SING N N 100 ULI CBH HBH SING N N 101 ULI CBH HBHA SING N N 102 ULI CBI HBI SING N N 103 ULI CBI HBIA SING N N 104 ULI CBJ CBI SING N N 105 ULI CBJ HBJ SING N N 106 ULI CBJ HBJA SING N N 107 ULI CBK CBJ SING N N 108 ULI CBK HBK SING N N 109 ULI CBK HBKA SING N N 110 ULI CBL CBK SING N N 111 ULI CBL HBL SING N N 112 ULI CBL HBLA SING N N 113 ULI CBM CBL SING N N 114 ULI CBM HBM SING N N 115 ULI CBM HBMA SING N N 116 ULI CAX C40 SING N N 117 ULI CAY H79 SING N N 118 ULI C40 H80 SING N N 119 ULI C40 H81 SING N N 120 ULI C40 H82 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 ULI SMILES ACDLabs 12.01 "C(CCCCCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCC" ULI InChI InChI 1.03 "InChI=1S/C40H82/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-40H2,1-2H3" ULI InChIKey InChI 1.03 KUPLEGDPSCCPJI-UHFFFAOYSA-N ULI SMILES_CANONICAL CACTVS 3.370 CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC ULI SMILES CACTVS 3.370 CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC ULI SMILES_CANONICAL "OpenEye OEToolkits" 1.7.2 CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC ULI SMILES "OpenEye OEToolkits" 1.7.2 CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC # # 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 ULI "SYSTEMATIC NAME" ACDLabs 12.01 tetracontane ULI "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.7.2 tetracontane # # loop_ _pdbx_chem_comp_audit.comp_id _pdbx_chem_comp_audit.action_type _pdbx_chem_comp_audit.date _pdbx_chem_comp_audit.processing_site ULI "Create component" 2011-08-18 RCSB ULI "Modify synonyms" 2021-03-01 PDBE # _pdbx_chem_comp_synonyms.ordinal 1 _pdbx_chem_comp_synonyms.comp_id ULI _pdbx_chem_comp_synonyms.name n-Tetracontane _pdbx_chem_comp_synonyms.provenance ? _pdbx_chem_comp_synonyms.type ? ##