71484199 -OEChem-05102421202D 122129 0 1 0 0 0 0 0999 V2000 12.6457 0.0540 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 18.1026 -1.1618 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.0924 1.6359 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.5412 -0.9405 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 9.2833 1.0481 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 17.2936 -1.7496 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 15.4325 0.7150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2952 -2.2836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5357 -1.0451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8711 0.2391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3541 -1.7959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1132 2.5616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8814 -2.5586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5467 -0.8360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8634 1.0240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7431 -0.2132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7058 -0.9405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6956 1.8571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3371 -4.1753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3733 3.8217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6132 5.1004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4367 -1.9350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5570 0.1346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4743 0.4603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4846 -2.3373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3556 2.3028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3817 -3.8769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4586 -4.7904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3179 2.1744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6235 5.3028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9176 -3.8769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9227 -4.7904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.7487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6235 2.3028 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5157 -2.3769 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.3246 -3.2904 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8532 3.8217 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.4895 3.8028 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6497 -3.8769 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.1906 -4.7904 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1590 3.4616 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.1235 -0.2360 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4644 -0.6745 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.1235 -0.2360 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9644 -1.5405 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8145 0.7150 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4862 -0.8824 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.6235 1.3028 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3817 -1.8769 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.8759 -2.4540 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5450 -3.1972 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.3759 -1.5880 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.4586 -2.7904 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9589 -1.6450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7113 -1.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1132 2.5616 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4223 3.5127 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6132 4.1004 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8042 3.5127 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7010 1.7526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9692 -0.6745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4895 2.8028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7575 2.8028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5157 -3.3769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6497 -1.8769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3246 -4.2904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1906 -2.7904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1100 3.1526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6453 4.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7575 3.8028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7836 -2.3769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6235 4.3028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7836 -3.3769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0567 -3.2904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6942 5.1088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0567 -4.2904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9511 4.4397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5112 -0.1391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0835 -0.6420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7359 -0.1391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1866 -2.1193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7175 1.3274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6467 -0.2835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0711 1.5843 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8617 -1.5392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5382 -1.9341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9462 -3.3576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7661 -1.1062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.4261 -3.4096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7880 -2.2410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5162 -1.9168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1541 -1.3168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8822 -1.6410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8318 2.0092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8607 3.0742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1657 4.3819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3658 3.0742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1438 1.4808 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8719 1.1566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5385 -0.2285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4552 -1.0212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4027 0.6092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1534 -0.4048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2206 2.4928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6497 -1.2569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7475 -4.3669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5022 4.4281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0763 5.4104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.1906 -2.1704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9383 -2.2995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1060 5.2147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0265 4.1128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2206 4.1128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6497 -4.4969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2467 -2.0669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3048 0.7010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9079 0.7125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0378 -0.5452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.1906 -5.4104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.5936 -2.9804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6982 3.0467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5653 5.7153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 2 6 1 0 0 0 0 2118 1 0 0 0 0 3 5 2 0 0 0 0 4 9 1 0 0 0 0 4 14 1 0 0 0 0 4 22 1 0 0 0 0 5 10 1 0 0 0 0 5 18 1 0 0 0 0 5 24 1 0 0 0 0 6 13 1 0 0 0 0 6 17 1 0 0 0 0 6 25 2 0 0 0 0 7 44 1 0 0 0 0 7 48 1 0 0 0 0 8 45 1 0 0 0 0 8 49 1 0 0 0 0 42 9 1 1 0 0 0 43 10 1 6 0 0 0 11 52 1 0 0 0 0 11 53 1 0 0 0 0 12 56 1 0 0 0 0 12 59 1 0 0 0 0 50 13 1 6 0 0 0 14 54 1 0 0 0 0 46 15 1 1 0 0 0 15102 1 0 0 0 0 47 16 1 6 0 0 0 16103 1 0 0 0 0 17 55 1 0 0 0 0 18 60 1 0 0 0 0 51 19 1 6 0 0 0 19106 1 0 0 0 0 57 20 1 6 0 0 0 20107 1 0 0 0 0 58 21 1 6 0 0 0 21108 1 0 0 0 0 22110 1 0 0 0 0 23 61 1 0 0 0 0 23116 1 0 0 0 0 24117 1 0 0 0 0 26 62 2 0 0 0 0 27 64 2 0 0 0 0 28 66 2 0 0 0 0 29 68 2 0 0 0 0 30 72 2 0 0 0 0 31 73 2 0 0 0 0 32 76 2 0 0 0 0 33 77 2 0 0 0 0 48 34 1 6 0 0 0 34 62 1 0 0 0 0 34 63 1 0 0 0 0 49 35 1 1 0 0 0 35 64 1 0 0 0 0 35 65 1 0 0 0 0 53 36 1 1 0 0 0 36 66 1 0 0 0 0 36 67 1 0 0 0 0 59 37 1 1 0 0 0 37 68 1 0 0 0 0 37 69 1 0 0 0 0 38 62 1 0 0 0 0 38 72 1 0 0 0 0 38112 1 0 0 0 0 39 64 1 0 0 0 0 39 73 1 0 0 0 0 39114 1 0 0 0 0 40 66 1 0 0 0 0 40 76 1 0 0 0 0 40119 1 0 0 0 0 41 68 1 0 0 0 0 41 77 1 0 0 0 0 41121 1 0 0 0 0 42 44 1 0 0 0 0 42 46 1 0 0 0 0 42 78 1 0 0 0 0 43 45 1 0 0 0 0 43 47 1 0 0 0 0 43 79 1 0 0 0 0 44 55 1 6 0 0 0 44 80 1 0 0 0 0 45 54 1 1 0 0 0 45 81 1 0 0 0 0 46 48 1 0 0 0 0 46 82 1 0 0 0 0 47 49 1 0 0 0 0 47 83 1 0 0 0 0 48 84 1 0 0 0 0 49 85 1 0 0 0 0 50 51 1 0 0 0 0 50 52 1 0 0 0 0 50 86 1 0 0 0 0 51 53 1 0 0 0 0 51 87 1 0 0 0 0 52 61 1 1 0 0 0 52 88 1 0 0 0 0 53 89 1 0 0 0 0 54 90 1 0 0 0 0 54 91 1 0 0 0 0 55 92 1 0 0 0 0 55 93 1 0 0 0 0 56 57 1 0 0 0 0 56 60 1 1 0 0 0 56 94 1 0 0 0 0 57 58 1 0 0 0 0 57 95 1 0 0 0 0 58 59 1 0 0 0 0 58 96 1 0 0 0 0 59 97 1 0 0 0 0 60 98 1 0 0 0 0 60 99 1 0 0 0 0 61100 1 0 0 0 0 61101 1 0 0 0 0 63 70 2 0 0 0 0 63104 1 0 0 0 0 65 71 2 0 0 0 0 65105 1 0 0 0 0 67 74 2 0 0 0 0 67109 1 0 0 0 0 69 75 2 0 0 0 0 69111 1 0 0 0 0 70 72 1 0 0 0 0 70113 1 0 0 0 0 71 73 1 0 0 0 0 71115 1 0 0 0 0 74 76 1 0 0 0 0 74120 1 0 0 0 0 75 77 1 0 0 0 0 75122 1 0 0 0 0 M END > 71484199 > 1 > 2690 > 30 > 13 > 20 > AAADcfB//gNgAAAAAAAAAAAAAAAAASJEiQAgQIEAAAAAAAAAAAAAHgAQCCAACBThgAYBAAPABxCIQCFWUICAAAAAAgAIAAAIAECDEAIAgAAOQAAPFyITAMDwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > 1-[(2R,3R,4S,5R)-5-[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl]oxy-sulfanyl-phosphoryl]oxymethyl]-4-hydroxy-tetrahydrofuran-3-yl]oxy-hydroxy-phosphinothioyl]oxymethyl]-4-hydroxy-tetrahydrofuran-3-yl]oxy-hydroxy-phosphinothioyl]oxymethyl]-3,4-dihydroxy-tetrahydrofuran-2-yl]pyrimidine-2,4-dione > 1-[(2R,3R,4S,5R)-5-[[[(2R,3S,4R,5R)-5-(2,4-dioxo-1-pyrimidinyl)-2-[[[(2R,3S,4R,5R)-5-(2,4-dioxo-1-pyrimidinyl)-2-[[[(2R,3S,4R,5R)-5-(2,4-dioxo-1-pyrimidinyl)-4-hydroxy-2-(hydroxymethyl)-3-oxolanyl]oxy-mercaptophosphoryl]oxymethyl]-4-hydroxy-3-oxolanyl]oxy-hydroxyphosphinothioyl]oxymethyl]-4-hydroxy-3-oxolanyl]oxy-hydroxyphosphinothioyl]oxymethyl]-3,4-dihydroxy-2-oxolanyl]pyrimidine-2,4-dione > 1-[(2R,3R,4S,5R)-5-[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-sulfanylphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-3,4-dihydroxyoxolan-2-yl]pyrimidine-2,4-dione > 1-[(2R,3R,4S,5R)-5-[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-sulfanylphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-3,4-dihydroxyoxolan-2-yl]pyrimidine-2,4-dione > 1-[(2R,3R,4S,5R)-5-[[[(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-2-[[[(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-2-[[[(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl]oxy-sulfanyl-phosphoryl]oxymethyl]-4-oxidanyl-oxolan-3-yl]oxy-oxidanyl-phosphinothioyl]oxymethyl]-4-oxidanyl-oxolan-3-yl]oxy-oxidanyl-phosphinothioyl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]pyrimidine-2,4-dione > 1-[(2R,3R,4S,5R)-5-[[[(2R,3S,4R,5R)-5-(2,4-diketopyrimidin-1-yl)-2-[[[(2R,3S,4R,5R)-5-(2,4-diketopyrimidin-1-yl)-2-[[[(2R,3S,4R,5R)-5-(2,4-diketopyrimidin-1-yl)-4-hydroxy-2-methylol-tetrahydrofuran-3-yl]oxy-mercapto-phosphoryl]oxymethyl]-4-hydroxy-tetrahydrofuran-3-yl]oxy-hydroxy-thiophosphoryl]oxymethyl]-4-hydroxy-tetrahydrofuran-3-yl]oxy-hydroxy-thiophosphoryl]oxymethyl]-3,4-dihydroxy-tetrahydrofuran-2-yl]pyrimidine-2,4-quinone > InChI=1S/C36H45N8O27P3S3/c45-9-13-26(23(52)30(65-13)42-6-2-18(47)38-34(42)56)69-73(60,76)63-11-15-28(25(54)32(67-15)44-8-4-20(49)40-36(44)58)71-74(61,77)64-12-16-27(24(53)31(68-16)43-7-3-19(48)39-35(43)57)70-72(59,75)62-10-14-21(50)22(51)29(66-14)41-5-1-17(46)37-33(41)55/h1-8,13-16,21-32,45,50-54H,9-12H2,(H,59,75)(H,60,76)(H,61,77)(H,37,46,55)(H,38,47,56)(H,39,48,57)(H,40,49,58)/t13-,14-,15-,16-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,72?,73?,74?/m1/s1 > RDPYLYQCCATJQN-ZZHFTWJRSA-N > -7.3 > 1210.0769127 > C36H45N8O27P3S3 > 1210.9 > C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=S)(O)OC3C(OC(C3O)N4C=CC(=O)NC4=O)COP(=S)(O)OC5C(OC(C5O)N6C=CC(=O)NC6=O)COP(=O)(OC7C(OC(C7O)N8C=CC(=O)NC8=O)CO)S)O)O > C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=S)(O)O[C@@H]3[C@H](O[C@H]([C@@H]3O)N4C=CC(=O)NC4=O)COP(=S)(O)O[C@@H]5[C@H](O[C@H]([C@@H]5O)N6C=CC(=O)NC6=O)COP(=O)(O[C@@H]7[C@H](O[C@H]([C@@H]7O)N8C=CC(=O)NC8=O)CO)S)O)O > 534 > 1210.0769127 > 0 > 77 > 16 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 43 10 6 50 13 6 46 15 5 47 16 6 51 19 6 57 20 6 58 21 6 48 34 6 34 62 8 34 63 8 49 35 5 35 64 8 35 65 8 53 36 5 36 66 8 36 67 8 59 37 5 37 68 8 37 69 8 38 62 8 38 72 8 39 64 8 39 73 8 40 66 8 40 76 8 41 68 8 41 77 8 44 55 6 45 54 5 52 61 5 56 60 5 63 70 8 65 71 8 67 74 8 69 75 8 70 72 8 71 73 8 74 76 8 75 77 8 42 9 5 $$$$