data_6YX # _chem_comp.id 6YX _chem_comp.name ;[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl] phosphono hydrogen phosphate ; _chem_comp.type NON-POLYMER _chem_comp.pdbx_type HETAIN _chem_comp.formula "H26 O73 P24" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms ? _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 2016-07-27 _chem_comp.pdbx_modified_date 2017-10-06 _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 1937.533 _chem_comp.one_letter_code ? _chem_comp.three_letter_code 6YX _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 5LLF _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 6YX O01 O1 O 0 1 N N N -17.585 18.376 -19.712 8.549 -3.658 3.652 O01 6YX 1 6YX P02 P1 P 0 1 N N N -18.390 18.831 -20.904 9.275 -4.501 2.489 P02 6YX 2 6YX O03 O2 O 0 1 N N N -17.747 20.226 -21.274 8.163 -5.135 1.512 O03 6YX 3 6YX P04 P2 P 0 1 N N N -17.589 20.924 -22.701 8.208 -5.796 0.045 P04 6YX 4 6YX O05 O3 O 0 1 N N N -16.309 20.496 -23.408 8.713 -7.321 0.158 O05 6YX 5 6YX O06 O4 O 0 1 N N N -17.432 22.417 -22.182 6.735 -5.765 -0.604 O06 6YX 6 6YX P07 P3 P 0 1 N N N -17.986 23.707 -22.889 6.166 -5.969 -2.096 P07 6YX 7 6YX O08 O5 O 0 1 N N N -19.502 23.696 -22.994 6.815 -7.146 -2.715 O08 6YX 8 6YX O09 O6 O 0 1 N N N -17.193 23.624 -24.253 4.574 -6.203 -2.036 O09 6YX 9 6YX P10 P4 P 0 1 N N N -17.246 24.662 -25.441 3.499 -6.847 -3.047 P10 6YX 10 6YX O11 O7 O 0 1 N N N -18.638 24.720 -26.000 4.036 -8.111 -3.598 O11 6YX 11 6YX O12 O8 O 0 1 N N N -16.190 24.150 -26.503 2.129 -7.144 -2.256 O12 6YX 12 6YX P13 P5 P 0 1 N N N -14.628 24.419 -26.380 0.866 -8.104 -2.529 P13 6YX 13 6YX O14 O9 O 0 1 N N N -14.229 24.346 -24.927 1.231 -9.610 -2.091 O14 6YX 14 6YX O15 O10 O 0 1 N N N -14.424 25.933 -26.939 -0.396 -7.587 -1.673 O15 6YX 15 6YX P16 P6 P 0 1 N N N -13.403 27.083 -26.532 -1.977 -7.887 -1.718 P16 6YX 16 6YX O17 O11 O 0 1 N N N -11.993 26.667 -26.903 -2.280 -9.284 -0.976 O17 6YX 17 6YX O18 O12 O 0 1 N N N -13.492 27.463 -24.978 -2.770 -6.701 -0.973 O18 6YX 18 6YX P19 P7 P 0 1 N N N -13.997 28.810 -24.240 -4.312 -6.240 -0.931 P19 6YX 19 6YX O20 O13 O 0 1 N N N -14.437 29.835 -25.262 -5.177 -7.428 -0.753 O20 6YX 20 6YX O21 O14 O 0 1 N N N -12.828 29.393 -23.316 -4.536 -5.225 0.299 O21 6YX 21 6YX P22 P8 P 0 1 N N N -11.856 30.470 -23.911 -5.828 -4.738 1.126 P22 6YX 22 6YX O23 O15 O 0 1 N N N -11.034 31.306 -22.847 -5.355 -4.014 2.484 O23 6YX 23 6YX P24 P9 P 0 1 N N N -10.604 32.788 -23.293 -6.076 -3.684 3.885 P24 6YX 24 6YX O25 O16 O 0 1 N N N -11.597 33.766 -22.686 -6.086 -5.003 4.808 O25 6YX 25 6YX O26 O17 O 0 1 N N N -10.689 32.916 -24.892 -5.274 -2.508 4.637 O26 6YX 26 6YX P27 P10 P 0 1 N N N -9.558 32.826 -26.020 -5.616 -1.532 5.871 P27 6YX 27 6YX O28 O18 O 0 1 N N N -8.490 31.789 -25.779 -5.393 -2.320 7.257 O28 6YX 28 6YX O29 O19 O 0 1 N N N -8.794 34.235 -26.126 -4.648 -0.246 5.823 O29 6YX 29 6YX P30 P11 P 0 1 N N N -7.808 34.746 -27.280 -4.667 1.195 6.540 P30 6YX 30 6YX O31 O20 O 0 1 N N N -8.102 33.927 -28.521 -4.983 1.027 7.976 O31 6YX 31 6YX O32 O21 O 0 1 N N N -6.281 34.435 -26.959 -3.222 1.889 6.386 O32 6YX 32 6YX P33 P12 P 0 1 N N N -5.142 35.130 -26.076 -2.460 3.072 7.170 P33 6YX 33 6YX O34 O22 O 0 1 N N N -5.608 36.343 -25.322 -2.622 2.881 8.629 O34 6YX 34 6YX O35 O23 O 0 1 N N N -4.083 35.477 -27.177 -0.895 3.042 6.795 O35 6YX 35 6YX P36 P13 P 0 1 N N N -2.520 35.426 -27.072 0.433 3.631 7.490 P36 6YX 36 6YX O37 O24 O 0 1 N N N -2.063 35.866 -25.699 0.889 2.656 8.688 O37 6YX 37 6YX O38 O25 O 0 1 N N N -2.104 36.610 -28.023 1.612 3.728 6.398 O38 6YX 38 6YX P39 P14 P 0 1 N N N -1.450 36.538 -29.441 3.033 4.484 6.351 P39 6YX 39 6YX O40 O26 O 0 1 N N N -1.578 35.198 -30.136 4.121 3.635 7.180 O40 6YX 40 6YX O41 O27 O 0 1 N N N 0.107 36.844 -29.230 3.514 4.626 4.821 O41 6YX 41 6YX P42 P15 P 0 1 N N N 0.746 38.317 -29.183 4.637 5.510 4.079 P42 6YX 42 6YX O43 O28 O 0 1 N N N 1.999 38.340 -28.218 4.897 4.919 2.604 O43 6YX 43 6YX P44 P16 P 0 1 N N N 3.371 37.602 -28.472 6.102 5.048 1.545 P44 6YX 44 6YX O45 O29 O 0 1 N N N 3.369 36.405 -27.554 7.288 4.040 1.957 O45 6YX 45 6YX O46 O30 O 0 1 N N N 4.671 38.471 -28.126 5.566 4.672 0.074 O46 6YX 46 6YX P47 P17 P 0 1 N N N 4.948 40.024 -28.335 6.142 4.885 -1.415 P47 6YX 47 6YX O48 O31 O 0 1 N N N 3.941 40.811 -27.511 7.246 3.756 -1.729 O48 6YX 48 6YX O49 O32 O 0 1 N N N 4.915 40.533 -29.861 4.938 4.769 -2.477 O49 6YX 49 6YX P50 P18 P 0 1 N N N 5.699 41.820 -30.453 4.773 5.169 -4.028 P50 6YX 50 6YX O51 O33 O 0 1 N N N 7.130 41.887 -29.966 5.451 4.036 -4.950 O51 6YX 51 6YX O52 O34 O 0 1 N N N 5.051 43.205 -30.013 3.209 5.289 -4.388 O52 6YX 52 6YX P53 P19 P 0 1 N N N 4.037 44.209 -30.726 2.390 5.928 -5.618 P53 6YX 53 6YX O54 O35 O 0 1 N N N 3.312 43.521 -31.856 3.031 5.537 -6.894 O54 6YX 54 6YX O55 O36 O 0 1 N N N 4.827 45.412 -31.357 0.873 5.387 -5.592 O55 6YX 55 6YX P56 P20 P 0 1 N N N 5.474 46.728 -30.694 -0.300 5.293 -6.691 P56 6YX 56 6YX O57 O37 O 0 1 N N N 4.321 47.668 -30.381 0.254 4.771 -7.960 O57 6YX 57 6YX O58 O38 O 0 1 N N N 6.459 47.164 -31.858 -1.453 4.302 -6.161 O58 6YX 58 6YX P59 P21 P 0 1 N N N 7.881 46.531 -32.147 -2.635 3.477 -6.878 P59 6YX 59 6YX O60 O39 O 0 1 N N N 7.799 44.989 -32.029 -2.034 2.132 -7.527 O60 6YX 60 6YX O61 O40 O 0 1 N N N 8.802 47.046 -30.964 -3.758 3.093 -5.790 O61 6YX 61 6YX P62 P22 P 0 1 N N N 10.328 46.744 -30.596 -5.277 2.569 -5.888 P62 6YX 62 6YX O63 O41 O 0 1 N N N 10.593 47.662 -29.334 -6.036 2.860 -4.498 O63 6YX 63 6YX P64 P23 P 0 1 N N N 10.591 49.250 -29.192 -7.582 2.872 -4.049 P64 6YX 64 6YX O65 O42 O 0 1 N N N 10.685 49.765 -30.601 -8.264 1.679 -4.596 O65 6YX 65 6YX O66 O43 O 0 1 N N N 11.884 49.470 -28.338 -7.674 2.853 -2.441 O66 6YX 66 6YX P67 P24 P 0 1 N N N 12.696 50.785 -28.089 -8.829 2.457 -1.392 P67 6YX 67 6YX O68 O44 O 0 1 N N N 13.954 50.828 -28.897 -10.135 2.946 -1.888 O68 6YX 68 6YX O69 O45 O 0 1 N N N 12.991 50.841 -26.601 -8.882 0.856 -1.231 O69 6YX 69 6YX O70 O46 O 0 1 N N N 11.734 51.902 -28.450 -8.511 3.130 0.036 O70 6YX 70 6YX O71 O47 O 0 1 N N N 9.328 49.672 -28.503 -8.293 4.202 -4.611 O71 6YX 71 6YX O72 O48 O 0 1 N N N 11.322 47.140 -31.701 -5.973 3.275 -6.986 O72 6YX 72 6YX O73 O49 O 0 1 N N N 10.446 45.292 -30.107 -5.280 0.985 -6.180 O73 6YX 73 6YX O74 O50 O 0 1 N N N 8.415 46.943 -33.496 -3.243 4.309 -7.941 O74 6YX 74 6YX O75 O51 O 0 1 N N N 6.243 46.500 -29.413 -0.922 6.757 -6.938 O75 6YX 75 6YX O76 O52 O 0 1 N N N 3.053 44.683 -29.664 2.389 7.532 -5.487 O76 6YX 76 6YX O77 O53 O 0 1 N N N 5.736 41.657 -31.961 5.437 6.469 -4.276 O77 6YX 77 6YX O78 O54 O 0 1 N N N 6.320 40.316 -27.736 6.763 6.225 -1.516 O78 6YX 78 6YX O79 O55 O 0 1 N N N 3.485 37.233 -29.947 6.613 6.437 1.544 O79 6YX 79 6YX O80 O56 O 0 1 N N N -0.308 39.273 -28.682 4.131 7.034 3.966 O80 6YX 80 6YX O81 O57 O 0 1 N N N 1.196 38.759 -30.572 5.895 5.464 4.858 O81 6YX 81 6YX O82 O58 O 0 1 N N N -2.211 37.596 -30.201 2.896 5.830 6.951 O82 6YX 82 6YX O83 O59 O 0 1 N N N -1.896 34.136 -27.547 0.150 4.979 8.032 O83 6YX 83 6YX O84 O60 O 0 1 N N N -4.506 34.126 -25.115 -3.088 4.491 6.742 O84 6YX 84 6YX O85 O61 O 0 1 N N N -8.124 36.211 -27.525 -5.785 2.124 5.850 O85 6YX 85 6YX O86 O62 O 0 1 N N N -10.271 32.496 -27.313 -7.026 -1.092 5.775 O86 6YX 86 6YX O87 O63 O 0 1 N N N -9.192 33.104 -22.852 -7.468 -3.248 3.633 O87 6YX 87 6YX O88 O64 O 0 1 N N N -12.695 31.425 -24.762 -6.678 -3.701 0.233 O88 6YX 88 6YX O89 O65 O 0 1 N N N -10.868 29.781 -24.842 -6.671 -5.908 1.458 O89 6YX 89 6YX O90 O66 O 0 1 N N N -15.123 28.549 -23.255 -4.690 -5.503 -2.311 O90 6YX 90 6YX O91 O67 O 0 1 N N N -13.715 28.340 -27.318 -2.423 -7.970 -3.127 O91 6YX 91 6YX O92 O68 O 0 1 N N N -13.847 23.429 -27.214 0.528 -8.077 -3.970 O92 6YX 92 6YX O93 O69 O 0 1 N N N -16.901 26.037 -24.898 3.211 -5.817 -4.250 O93 6YX 93 6YX O94 O70 O 0 1 N N N -17.534 24.838 -21.988 6.482 -4.658 -2.976 O94 6YX 94 6YX O95 O71 O 0 1 N N N -18.816 20.936 -23.583 9.141 -5.030 -0.812 O95 6YX 95 6YX O96 O72 O 0 1 N N N -18.196 17.916 -22.114 10.162 -3.608 1.711 O96 6YX 96 6YX O97 O73 O 0 1 N N N -19.829 19.081 -20.566 10.147 -5.683 3.147 O97 6YX 97 6YX H1 H1 H 0 1 N N N -17.099 17.592 -19.938 9.160 -3.246 4.279 H1 6YX 98 6YX H2 H2 H 0 1 N N N -16.500 20.300 -24.318 8.147 -7.882 0.706 H2 6YX 99 6YX H3 H3 H 0 1 N N N -13.556 23.684 -24.816 1.463 -9.703 -1.157 H3 6YX 100 6YX H4 H4 H 0 1 N N N -11.636 27.282 -27.533 -2.013 -9.302 -0.047 H4 6YX 101 6YX H5 H5 H 0 1 N N N -11.133 34.392 -22.142 -5.206 -5.345 5.014 H5 6YX 102 6YX H6 H6 H 0 1 N N N -8.496 31.156 -26.488 -4.490 -2.638 7.387 H6 6YX 103 6YX H7 H7 H 0 1 N N N -1.440 35.236 -25.355 1.092 1.754 8.405 H7 6YX 104 6YX H8 H8 H 0 1 N N N -2.114 35.294 -30.914 4.262 2.740 6.841 H8 6YX 105 6YX H9 H9 H 0 1 N N N 3.441 35.610 -28.069 7.025 3.110 1.978 H9 6YX 106 6YX H10 H10 H 0 1 N N N 4.396 41.291 -26.829 6.909 2.852 -1.681 H10 6YX 107 6YX H11 H11 H 0 1 N N N 7.721 41.813 -30.706 5.064 3.156 -4.839 H11 6YX 108 6YX H12 H12 H 0 1 N N N 8.104 44.592 -32.837 -1.619 1.538 -6.886 H12 6YX 109 6YX H13 H13 H 0 1 N N N 13.930 50.893 -26.466 -8.058 0.465 -0.909 H13 6YX 110 6YX H14 H14 H 0 1 N N N 12.113 52.437 -29.138 -9.167 2.933 0.718 H14 6YX 111 6YX H15 H15 H 0 1 N N N 8.805 50.200 -29.095 -7.897 5.025 -4.292 H15 6YX 112 6YX H16 H16 H 0 1 N N N 11.141 44.853 -30.583 -4.840 0.459 -5.499 H16 6YX 113 6YX H17 H17 H 0 1 N N N 5.837 46.990 -28.708 -1.304 7.161 -6.147 H17 6YX 114 6YX H18 H18 H 0 1 N N N 2.169 44.450 -29.924 1.984 7.861 -4.673 H18 6YX 115 6YX H19 H19 H 0 1 N N N -0.465 39.943 -29.337 3.309 7.140 3.467 H19 6YX 116 6YX H20 H20 H 0 1 N N N -4.533 34.472 -24.231 -3.017 4.683 5.797 H20 6YX 117 6YX H21 H21 H 0 1 N N N -8.445 36.322 -28.412 -5.641 2.277 4.906 H21 6YX 118 6YX H22 H22 H 0 1 N N N -13.470 30.973 -25.075 -6.187 -2.908 -0.022 H22 6YX 119 6YX H23 H23 H 0 1 N N N -15.874 29.084 -23.483 -4.161 -4.714 -2.493 H23 6YX 120 6YX H24 H24 H 0 1 N N N -17.636 26.624 -25.031 2.857 -4.964 -3.962 H24 6YX 121 6YX H25 H25 H 0 1 N N N -18.293 25.313 -21.670 6.088 -3.846 -2.628 H25 6YX 122 6YX H26 H26 H 0 1 N N N -20.385 18.614 -21.179 9.630 -6.309 3.672 H26 6YX 123 # 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 6YX O74 P59 DOUB N N 1 6YX P59 O60 SING N N 2 6YX P59 O58 SING N N 3 6YX P59 O61 SING N N 4 6YX O77 P50 DOUB N N 5 6YX O58 P56 SING N N 6 6YX O54 P53 DOUB N N 7 6YX O72 P62 DOUB N N 8 6YX O55 P53 SING N N 9 6YX O55 P56 SING N N 10 6YX O61 P62 SING N N 11 6YX P53 O52 SING N N 12 6YX P53 O76 SING N N 13 6YX P56 O57 DOUB N N 14 6YX P56 O75 SING N N 15 6YX O65 P64 DOUB N N 16 6YX P62 O73 SING N N 17 6YX P62 O63 SING N N 18 6YX O81 P42 DOUB N N 19 6YX P50 O52 SING N N 20 6YX P50 O51 SING N N 21 6YX P50 O49 SING N N 22 6YX O82 P39 DOUB N N 23 6YX O40 P39 SING N N 24 6YX O79 P44 DOUB N N 25 6YX O49 P47 SING N N 26 6YX P39 O41 SING N N 27 6YX P39 O38 SING N N 28 6YX O63 P64 SING N N 29 6YX O41 P42 SING N N 30 6YX P64 O71 SING N N 31 6YX P64 O66 SING N N 32 6YX P42 O80 SING N N 33 6YX P42 O43 SING N N 34 6YX O68 P67 DOUB N N 35 6YX O31 P30 DOUB N N 36 6YX P44 O43 SING N N 37 6YX P44 O46 SING N N 38 6YX P44 O45 SING N N 39 6YX O70 P67 SING N N 40 6YX O66 P67 SING N N 41 6YX P47 O46 SING N N 42 6YX P47 O78 DOUB N N 43 6YX P47 O48 SING N N 44 6YX P67 O69 SING N N 45 6YX O38 P36 SING N N 46 6YX O83 P36 DOUB N N 47 6YX O85 P30 SING N N 48 6YX O91 P16 DOUB N N 49 6YX O86 P27 DOUB N N 50 6YX P30 O32 SING N N 51 6YX P30 O29 SING N N 52 6YX O92 P13 DOUB N N 53 6YX O35 P36 SING N N 54 6YX O35 P33 SING N N 55 6YX P36 O37 SING N N 56 6YX O32 P33 SING N N 57 6YX O15 P16 SING N N 58 6YX O15 P13 SING N N 59 6YX O17 P16 SING N N 60 6YX P16 O18 SING N N 61 6YX O12 P13 SING N N 62 6YX O12 P10 SING N N 63 6YX P13 O14 SING N N 64 6YX O29 P27 SING N N 65 6YX P33 O34 DOUB N N 66 6YX P33 O84 SING N N 67 6YX P27 O28 SING N N 68 6YX P27 O26 SING N N 69 6YX O11 P10 DOUB N N 70 6YX P10 O93 SING N N 71 6YX P10 O09 SING N N 72 6YX O20 P19 DOUB N N 73 6YX O18 P19 SING N N 74 6YX O26 P24 SING N N 75 6YX O89 P22 DOUB N N 76 6YX O88 P22 SING N N 77 6YX O09 P07 SING N N 78 6YX P19 O21 SING N N 79 6YX P19 O90 SING N N 80 6YX P22 O21 SING N N 81 6YX P22 O23 SING N N 82 6YX O95 P04 DOUB N N 83 6YX O05 P04 SING N N 84 6YX P24 O87 DOUB N N 85 6YX P24 O23 SING N N 86 6YX P24 O25 SING N N 87 6YX O08 P07 DOUB N N 88 6YX P07 O06 SING N N 89 6YX P07 O94 SING N N 90 6YX P04 O06 SING N N 91 6YX P04 O03 SING N N 92 6YX O96 P02 DOUB N N 93 6YX O03 P02 SING N N 94 6YX P02 O97 SING N N 95 6YX P02 O01 SING N N 96 6YX O01 H1 SING N N 97 6YX O05 H2 SING N N 98 6YX O14 H3 SING N N 99 6YX O17 H4 SING N N 100 6YX O25 H5 SING N N 101 6YX O28 H6 SING N N 102 6YX O37 H7 SING N N 103 6YX O40 H8 SING N N 104 6YX O45 H9 SING N N 105 6YX O48 H10 SING N N 106 6YX O51 H11 SING N N 107 6YX O60 H12 SING N N 108 6YX O69 H13 SING N N 109 6YX O70 H14 SING N N 110 6YX O71 H15 SING N N 111 6YX O73 H16 SING N N 112 6YX O75 H17 SING N N 113 6YX O76 H18 SING N N 114 6YX O80 H19 SING N N 115 6YX O84 H20 SING N N 116 6YX O85 H21 SING N N 117 6YX O88 H22 SING N N 118 6YX O90 H23 SING N N 119 6YX O93 H24 SING N N 120 6YX O94 H25 SING N N 121 6YX O97 H26 SING N N 122 # 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 6YX InChI InChI 1.03 ;InChI=1S/H26O73P24/c1-74(2,3)51-76(7,8)53-78(11,12)55-80(15,16)57-82(19,20)59-84(23,24)61-86(27,28)63-88(31,32)65-90(35,36)67-92(39,40)69-94(43,44)71-96(47,48)73-97(49,50)72-95(45,46)70-93(41,42)68-91(37,38)66-89(33,34)64-87(29,30)62-85(25,26)60-83(21,22)58-81(17,18)56-79(13,14)54-77(9,10)52-75(4,5)6/h(H,7,8)(H,9,10)(H,11,12)(H,13,14)(H,15,16)(H,17,18)(H,19,20)(H,21,22)(H,23,24)(H,25,26)(H,27,28)(H,29,30)(H,31,32)(H,33,34)(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H,45,46)(H,47,48)(H,49,50)(H2,1,2,3)(H2,4,5,6) ; 6YX InChIKey InChI 1.03 YGBPEVYOWOUZHX-UHFFFAOYSA-N 6YX SMILES_CANONICAL CACTVS 3.385 ;O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O ; 6YX SMILES CACTVS 3.385 ;O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O ; 6YX SMILES_CANONICAL "OpenEye OEToolkits" 2.0.5 "OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O" 6YX SMILES "OpenEye OEToolkits" 2.0.5 "OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)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 6YX "SYSTEMATIC NAME" "OpenEye OEToolkits" 2.0.5 ;[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl] phosphono 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 6YX "Create component" 2016-07-27 EBI 6YX "Initial release" 2017-10-11 RCSB #