data_LMH # _chem_comp.id LMH _chem_comp.name "glucosyl-dolichol phosphate" _chem_comp.type NON-POLYMER _chem_comp.pdbx_type HETAIN _chem_comp.formula "C31 H55 O9 P" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms ? _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 2019-08-25 _chem_comp.pdbx_modified_date 2020-03-06 _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 602.737 _chem_comp.one_letter_code ? _chem_comp.three_letter_code LMH _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 6SNH _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 LMH C01 C1 C 0 1 N N N 124.942 136.531 134.553 10.478 -5.916 2.152 C01 LMH 1 LMH C02 C2 C 0 1 N N N 124.382 137.881 134.065 9.831 -4.960 1.183 C02 LMH 2 LMH C03 C3 C 0 1 N N N 123.464 138.714 134.985 8.406 -5.181 0.744 C03 LMH 3 LMH C04 C4 C 0 1 N N N 124.693 138.332 132.843 10.508 -3.938 0.721 C04 LMH 4 LMH C05 C5 C 0 1 N N N 125.626 137.332 132.101 9.827 -2.916 -0.153 C05 LMH 5 LMH C06 C6 C 0 1 N N N 125.902 137.848 130.659 10.020 -1.522 0.447 C06 LMH 6 LMH C07 C7 C 0 1 N N N 126.616 136.731 129.845 9.339 -0.501 -0.427 C07 LMH 7 LMH C08 C8 C 0 1 N N N 127.063 135.436 130.548 10.060 0.071 -1.621 C08 LMH 8 LMH C09 C9 C 0 1 N N N 126.844 136.895 128.525 8.120 -0.109 -0.150 C09 LMH 9 LMH C10 C10 C 0 1 N N N 127.560 135.771 127.717 7.394 0.820 -1.088 C10 LMH 10 LMH C11 C11 C 0 1 N N N 127.553 136.133 126.199 6.055 0.199 -1.487 C11 LMH 11 LMH C12 C12 C 0 1 N N N 128.987 136.573 125.768 5.329 1.128 -2.426 C12 LMH 12 LMH C13 C13 C 0 1 N N N 129.940 137.213 126.803 5.601 1.067 -3.907 C13 LMH 13 LMH C14 C14 C 0 1 N N N 129.395 136.396 124.497 4.462 1.990 -1.955 C14 LMH 14 LMH C15 C15 C 0 1 N N N 128.438 135.753 123.455 4.296 2.153 -0.466 C15 LMH 15 LMH C16 C16 C 0 1 N N N 129.129 134.508 122.815 4.470 3.627 -0.092 C16 LMH 16 LMH C17 C17 C 0 1 N N N 129.463 134.805 121.322 4.304 3.790 1.397 C17 LMH 17 LMH C18 C18 C 0 1 N N N 129.632 136.265 120.842 5.486 3.602 2.312 C18 LMH 18 LMH C19 C19 C 0 1 N N N 129.604 133.788 120.448 3.132 4.096 1.895 C19 LMH 19 LMH C20 C20 C 0 1 N N N 129.389 132.418 121.154 1.920 4.137 1.000 C20 LMH 20 LMH C21 C21 C 0 1 N N N 129.701 131.259 120.159 0.867 3.156 1.521 C21 LMH 21 LMH C22 C22 C 0 1 N N S 129.345 129.885 120.748 -0.363 3.198 0.612 C22 LMH 22 LMH C23 C23 C 0 1 N N N 128.807 128.981 119.645 -1.016 4.579 0.702 C23 LMH 23 LMH C24 C24 C 0 1 N N N 128.275 130.061 121.831 -1.363 2.130 1.058 C24 LMH 24 LMH C25 C25 C 0 1 N N N 128.838 129.831 123.254 -2.536 2.088 0.076 C25 LMH 25 LMH C31 C26 C 0 1 N N S 128.107 125.252 123.502 -6.748 -1.084 -0.179 C31 LMH 26 LMH C33 C27 C 0 1 N N R 128.904 124.107 121.473 -9.142 -0.948 -0.128 C33 LMH 27 LMH C34 C28 C 0 1 N N N 128.977 124.226 119.969 -10.299 -0.175 0.508 C34 LMH 28 LMH C36 C29 C 0 1 N N S 128.038 122.891 121.831 -9.267 -2.433 0.222 C36 LMH 29 LMH C38 C30 C 0 1 N N S 127.820 122.787 123.304 -8.072 -3.191 -0.366 C38 LMH 30 LMH C40 C31 C 0 1 N N R 127.253 124.033 123.856 -6.777 -2.574 0.169 C40 LMH 31 LMH O26 O1 O 0 1 N N N 129.131 128.458 123.396 -3.470 1.090 0.493 O26 LMH 32 LMH O28 O2 O 0 1 N N N 127.454 128.538 125.367 -4.507 0.457 -1.719 O28 LMH 33 LMH O29 O3 O 0 1 N N N 129.396 127.023 125.537 -5.799 2.055 -0.254 O29 LMH 34 LMH O30 O4 O 0 1 N N N 127.466 126.378 123.919 -5.568 -0.489 0.366 O30 LMH 35 LMH O32 O5 O 0 1 N N N 128.363 125.350 122.027 -7.901 -0.445 0.372 O32 LMH 36 LMH O35 O6 O 0 1 N N N 129.171 122.935 119.433 -10.249 1.189 0.086 O35 LMH 37 LMH O37 O7 O 0 1 N N N 128.688 121.702 121.372 -10.479 -2.953 -0.326 O37 LMH 38 LMH O39 O8 O 0 1 N N N 126.899 121.680 123.568 -8.142 -4.565 0.018 O39 LMH 39 LMH O41 O9 O 0 1 N N N 127.173 123.917 125.297 -5.655 -3.226 -0.430 O41 LMH 40 LMH P27 P1 P 0 1 N N N 128.364 127.607 124.595 -4.829 0.771 -0.309 P27 LMH 41 LMH H1 H1 H 0 1 N N N 124.580 136.330 135.572 9.766 -6.696 2.422 H1 LMH 42 LMH H2 H2 H 0 1 N N N 124.605 135.729 133.880 11.354 -6.368 1.687 H2 LMH 43 LMH H3 H3 H 0 1 N N N 126.041 136.570 134.555 10.781 -5.375 3.048 H3 LMH 44 LMH H5 H5 H 0 1 N N N 123.324 138.186 135.940 8.040 -6.121 1.158 H5 LMH 45 LMH H6 H6 H 0 1 N N N 123.926 139.694 135.173 7.785 -4.360 1.102 H6 LMH 46 LMH H7 H7 H 0 1 N N N 122.488 138.856 134.498 8.363 -5.221 -0.344 H7 LMH 47 LMH H8 H8 H 0 1 N N N 124.343 139.266 132.428 11.553 -3.827 0.967 H8 LMH 48 LMH H10 H10 H 0 1 N N N 125.140 136.346 132.050 10.261 -2.946 -1.152 H10 LMH 49 LMH H11 H11 H 0 1 N N N 126.577 137.244 132.647 8.762 -3.142 -0.213 H11 LMH 50 LMH H12 H12 H 0 1 N N N 126.545 138.739 130.704 9.585 -1.493 1.446 H12 LMH 51 LMH H13 H13 H 0 1 N N N 124.950 138.107 130.172 11.084 -1.297 0.507 H13 LMH 52 LMH H14 H14 H 0 1 N N N 126.794 135.485 131.613 11.084 -0.302 -1.639 H14 LMH 53 LMH H15 H15 H 0 1 N N N 126.562 134.574 130.082 9.547 -0.231 -2.534 H15 LMH 54 LMH H16 H16 H 0 1 N N N 128.153 135.323 130.450 10.071 1.158 -1.552 H16 LMH 55 LMH H17 H17 H 0 1 N N N 126.531 137.803 128.030 7.634 -0.453 0.752 H17 LMH 56 LMH H18 H18 H 0 1 N N N 127.032 134.818 127.869 7.219 1.774 -0.591 H18 LMH 57 LMH H19 H19 H 0 1 N N N 128.599 135.674 128.066 8.000 0.981 -1.980 H19 LMH 58 LMH H20 H20 H 0 1 N N N 126.847 136.957 126.021 6.230 -0.755 -1.985 H20 LMH 59 LMH H21 H21 H 0 1 N N N 127.246 135.254 125.613 5.449 0.038 -0.596 H21 LMH 60 LMH H22 H22 H 0 1 N N N 129.435 137.275 127.778 4.918 0.357 -4.373 H22 LMH 61 LMH H23 H23 H 0 1 N N N 130.846 136.596 126.898 5.455 2.054 -4.345 H23 LMH 62 LMH H24 H24 H 0 1 N N N 130.218 138.224 126.470 6.629 0.744 -4.075 H24 LMH 63 LMH H25 H25 H 0 1 N N N 130.388 136.701 124.202 3.867 2.583 -2.633 H25 LMH 64 LMH H26 H26 H 0 1 N N N 128.204 136.487 122.670 3.301 1.819 -0.173 H26 LMH 65 LMH H27 H27 H 0 1 N N N 127.509 135.441 123.954 5.047 1.556 0.052 H27 LMH 66 LMH H28 H28 H 0 1 N N N 128.452 133.643 122.874 5.466 3.961 -0.385 H28 LMH 67 LMH H29 H29 H 0 1 N N N 130.058 134.284 123.360 3.720 4.224 -0.609 H29 LMH 68 LMH H31 H31 H 0 1 N N N 129.482 136.950 121.690 5.996 4.556 2.448 H31 LMH 69 LMH H32 H32 H 0 1 N N N 130.645 136.402 120.435 5.142 3.233 3.279 H32 LMH 70 LMH H33 H33 H 0 1 N N N 128.890 136.482 120.059 6.175 2.882 1.872 H33 LMH 71 LMH H34 H34 H 0 1 N N N 129.835 133.908 119.400 3.033 4.318 2.948 H34 LMH 72 LMH H36 H36 H 0 1 N N N 128.345 132.340 121.490 1.506 5.146 0.995 H36 LMH 73 LMH H37 H37 H 0 1 N N N 130.060 132.345 122.022 2.207 3.858 -0.013 H37 LMH 74 LMH H38 H38 H 0 1 N N N 130.774 131.276 119.919 1.281 2.148 1.526 H38 LMH 75 LMH H39 H39 H 0 1 N N N 129.118 131.413 119.239 0.580 3.436 2.534 H39 LMH 76 LMH H40 H40 H 0 1 N N N 130.244 129.432 121.191 -0.061 3.006 -0.417 H40 LMH 77 LMH H41 H41 H 0 1 N N N 128.552 127.998 120.068 -1.318 4.771 1.732 H41 LMH 78 LMH H42 H42 H 0 1 N N N 127.907 129.435 119.205 -0.304 5.340 0.384 H42 LMH 79 LMH H43 H43 H 0 1 N N N 129.573 128.858 118.866 -1.893 4.609 0.055 H43 LMH 80 LMH H44 H44 H 0 1 N N N 127.874 131.084 121.770 -0.871 1.158 1.079 H44 LMH 81 LMH H45 H45 H 0 1 N N N 127.466 129.339 121.650 -1.732 2.372 2.055 H45 LMH 82 LMH H46 H46 H 0 1 N N N 129.754 130.423 123.392 -3.028 3.060 0.056 H46 LMH 83 LMH H47 H47 H 0 1 N N N 128.091 130.132 124.003 -2.167 1.846 -0.920 H47 LMH 84 LMH H48 H48 H 0 1 N N N 129.074 125.150 124.016 -6.748 -0.963 -1.262 H48 LMH 85 LMH H49 H49 H 0 1 N N N 129.918 123.942 121.866 -9.174 -0.826 -1.210 H49 LMH 86 LMH H50 H50 H 0 1 N N N 129.818 124.876 119.687 -11.246 -0.617 0.196 H50 LMH 87 LMH H51 H51 H 0 1 N N N 128.039 124.652 119.583 -10.216 -0.223 1.593 H51 LMH 88 LMH H52 H52 H 0 1 N N N 127.064 122.999 121.332 -9.275 -2.553 1.306 H52 LMH 89 LMH H53 H53 H 0 1 N N N 128.784 122.582 123.793 -8.092 -3.114 -1.453 H53 LMH 90 LMH H54 H54 H 0 1 N N N 126.245 124.184 123.443 -6.735 -2.696 1.252 H54 LMH 91 LMH H55 H55 H 0 1 N N N 129.255 127.364 126.413 -6.052 2.319 0.642 H55 LMH 92 LMH H56 H56 H 0 1 N N N 129.220 122.989 118.486 -10.955 1.740 0.451 H56 LMH 93 LMH H57 H57 H 0 1 N N N 128.157 120.945 121.591 -10.624 -3.892 -0.143 H57 LMH 94 LMH H58 H58 H 0 1 N N N 126.753 121.605 124.504 -7.415 -5.106 -0.321 H58 LMH 95 LMH H59 H59 H 0 1 N N N 126.809 124.716 125.660 -4.799 -2.882 -0.139 H59 LMH 96 # # 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 LMH O35 C34 SING N N 1 LMH C23 C22 SING N N 2 LMH C34 C33 SING N N 3 LMH C21 C22 SING N N 4 LMH C21 C20 SING N N 5 LMH C19 C20 SING N N 6 LMH C19 C17 DOUB N Z 7 LMH C22 C24 SING N N 8 LMH C18 C17 SING N N 9 LMH C17 C16 SING N N 10 LMH O37 C36 SING N N 11 LMH C33 C36 SING N N 12 LMH C33 O32 SING N N 13 LMH C36 C38 SING N N 14 LMH C24 C25 SING N N 15 LMH O32 C31 SING N N 16 LMH C16 C15 SING N N 17 LMH C25 O26 SING N N 18 LMH C38 O39 SING N N 19 LMH C38 C40 SING N N 20 LMH O26 P27 SING N N 21 LMH C15 C14 SING N N 22 LMH C31 C40 SING N N 23 LMH C31 O30 SING N N 24 LMH C40 O41 SING N N 25 LMH O30 P27 SING N N 26 LMH C14 C12 DOUB N Z 27 LMH P27 O28 DOUB N N 28 LMH P27 O29 SING N N 29 LMH C12 C11 SING N N 30 LMH C12 C13 SING N N 31 LMH C11 C10 SING N N 32 LMH C10 C09 SING N N 33 LMH C09 C07 DOUB N E 34 LMH C07 C08 SING N N 35 LMH C07 C06 SING N N 36 LMH C06 C05 SING N N 37 LMH C05 C04 SING N N 38 LMH C04 C02 DOUB N N 39 LMH C02 C01 SING N N 40 LMH C02 C03 SING N N 41 LMH C01 H1 SING N N 42 LMH C01 H2 SING N N 43 LMH C01 H3 SING N N 44 LMH C03 H5 SING N N 45 LMH C03 H6 SING N N 46 LMH C03 H7 SING N N 47 LMH C04 H8 SING N N 48 LMH C05 H10 SING N N 49 LMH C05 H11 SING N N 50 LMH C06 H12 SING N N 51 LMH C06 H13 SING N N 52 LMH C08 H14 SING N N 53 LMH C08 H15 SING N N 54 LMH C08 H16 SING N N 55 LMH C09 H17 SING N N 56 LMH C10 H18 SING N N 57 LMH C10 H19 SING N N 58 LMH C11 H20 SING N N 59 LMH C11 H21 SING N N 60 LMH C13 H22 SING N N 61 LMH C13 H23 SING N N 62 LMH C13 H24 SING N N 63 LMH C14 H25 SING N N 64 LMH C15 H26 SING N N 65 LMH C15 H27 SING N N 66 LMH C16 H28 SING N N 67 LMH C16 H29 SING N N 68 LMH C18 H31 SING N N 69 LMH C18 H32 SING N N 70 LMH C18 H33 SING N N 71 LMH C19 H34 SING N N 72 LMH C20 H36 SING N N 73 LMH C20 H37 SING N N 74 LMH C21 H38 SING N N 75 LMH C21 H39 SING N N 76 LMH C22 H40 SING N N 77 LMH C23 H41 SING N N 78 LMH C23 H42 SING N N 79 LMH C23 H43 SING N N 80 LMH C24 H44 SING N N 81 LMH C24 H45 SING N N 82 LMH C25 H46 SING N N 83 LMH C25 H47 SING N N 84 LMH C31 H48 SING N N 85 LMH C33 H49 SING N N 86 LMH C34 H50 SING N N 87 LMH C34 H51 SING N N 88 LMH C36 H52 SING N N 89 LMH C38 H53 SING N N 90 LMH C40 H54 SING N N 91 LMH O29 H55 SING N N 92 LMH O35 H56 SING N N 93 LMH O37 H57 SING N N 94 LMH O39 H58 SING N N 95 LMH O41 H59 SING N N 96 # # 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 LMH InChI InChI 1.03 "InChI=1S/C31H55O9P/c1-22(2)11-7-12-23(3)13-8-14-24(4)15-9-16-25(5)17-10-18-26(6)19-20-38-41(36,37)40-31-30(35)29(34)28(33)27(21-32)39-31/h11,13,15,17,26-35H,7-10,12,14,16,18-21H2,1-6H3,(H,36,37)/b23-13+,24-15-,25-17-/t26-,27+,28+,29-,30+,31-/m0/s1" LMH InChIKey InChI 1.03 AGLXCEGQRIYVRV-HAYNYTLHSA-N LMH SMILES_CANONICAL CACTVS 3.385 "C[C@H](CCO[P](O)(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CC\C=C(C)/CC\C=C(C)/CC\C=C(C)\CCC=C(C)C" LMH SMILES CACTVS 3.385 "C[CH](CCO[P](O)(=O)O[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C" LMH SMILES_CANONICAL "OpenEye OEToolkits" 2.0.7 "C[C@@H](CC/C=C(/C)\CC/C=C(/C)\CC/C=C(\C)/CCC=C(C)C)CCOP(=O)(O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O" LMH SMILES "OpenEye OEToolkits" 2.0.7 "CC(CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)CCOP(=O)(O)OC1C(C(C(C(O1)CO)O)O)O" # _pdbx_chem_comp_identifier.comp_id LMH _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 "[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] [(3~{S},6~{Z},10~{Z},14~{E})-3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraenyl] hydrogen phosphate" # # loop_ _pdbx_chem_comp_audit.comp_id _pdbx_chem_comp_audit.action_type _pdbx_chem_comp_audit.date _pdbx_chem_comp_audit.processing_site LMH "Create component" 2019-08-25 EBI LMH "Initial release" 2020-03-11 RCSB ##