986 -OEChem-05231302452D 131133 0 1 0 0 0 0 0999 V2000 12.2813 3.4222 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 25.5054 -5.7581 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 22.2551 -4.9157 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 20.9700 -3.7545 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 23.2585 -7.8365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.6082 -6.7528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.6045 -8.9284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5625 -5.8673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.4026 -4.7634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.5001 -5.6553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9478 -3.9641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.5107 -5.8609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3036 -5.2231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9922 -3.5449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2067 -4.6084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0588 -2.9161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1796 -2.7767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7604 -4.7323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0923 -0.4806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6331 2.8899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5220 1.8418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5342 -9.5971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.5342 -11.2065 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.7220 -9.4018 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.8559 -10.9018 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.7220 -12.4018 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.4441 -1.0129 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.8738 1.3095 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.7982 -7.3392 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 24.7965 -8.3392 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 23.8477 -7.0285 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 23.8449 -8.6465 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 23.5403 -6.0769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5880 -9.9018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1178 -10.4018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5880 -10.9018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7220 -11.4018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7070 -2.3837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7293 -2.1741 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 19.6848 -2.5933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8559 -9.9018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9166 -1.4059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4974 -3.3615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1628 8.2766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1406 8.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8555 9.2282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4480 7.1154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8777 9.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4258 6.9058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5703 10.3894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7332 5.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4219 -1.2225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5925 10.5990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7109 5.7446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2852 11.5506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0183 4.7930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3074 11.7602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9961 4.5834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1367 -0.0613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1589 0.1483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 12.7118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3035 3.6318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8516 1.0998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5664 2.2610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5886 2.4706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6667 -6.4994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.5545 -7.9546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.0084 -6.8941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.4449 -9.2486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.1544 -5.9917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.5630 -5.4573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.1713 -8.6771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.7378 -10.4018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9905 -2.9830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.2989 -2.5081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7075 -1.9738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.9048 -4.3998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.8637 -6.1575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.3190 -9.5918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8912 -3.2316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3675 -3.9677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.1037 -3.4915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.5229 -1.5359 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0466 -0.7997 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3104 -1.2760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5487 8.1914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1401 7.6570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7547 8.1522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1633 8.6866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4696 9.3134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8782 9.8478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8339 7.0302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4253 6.4958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2636 9.3526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8550 8.8182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0399 6.9910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4485 7.5254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.1736 -5.8293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.1850 -12.7118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.2589 -12.7118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1844 10.4746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5930 11.0090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1190 5.8690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7104 5.3346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9784 10.5138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5698 9.9794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3251 5.8299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7337 6.3642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8993 11.6358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3079 12.1702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4042 4.7078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9956 4.1734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4526 -2.7862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0284 -1.4730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6933 11.6750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2847 11.1406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.7696 -2.5862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6102 4.6687 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0188 5.2030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7508 0.0239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1594 0.5582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5448 0.0630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1362 -0.4713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5900 12.9024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8094 13.3018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4100 12.5212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1805 2.3463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5891 2.8806 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9745 2.3854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5659 1.8511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4581 0.8494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 62 1 0 0 0 0 1 65 1 0 0 0 0 2 6 1 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 2 12 2 0 0 0 0 3 8 1 0 0 0 0 3 11 1 0 0 0 0 3 13 1 0 0 0 0 3 15 2 0 0 0 0 4 11 1 0 0 0 0 4 14 1 0 0 0 0 4 17 1 0 0 0 0 4 18 2 0 0 0 0 5 31 1 0 0 0 0 5 32 1 0 0 0 0 6 29 1 0 0 0 0 7 30 1 0 0 0 0 7 72 1 0 0 0 0 8 33 1 0 0 0 0 9 77 1 0 0 0 0 10 78 1 0 0 0 0 13 98 1 0 0 0 0 14 40 1 0 0 0 0 16 39 1 0 0 0 0 16113 1 0 0 0 0 17117 1 0 0 0 0 19 52 2 0 0 0 0 20 62 2 0 0 0 0 21 63 2 0 0 0 0 22 32 1 0 0 0 0 22 34 1 0 0 0 0 22 35 1 0 0 0 0 23 35 2 0 0 0 0 23 36 1 0 0 0 0 24 34 1 0 0 0 0 24 41 2 0 0 0 0 25 37 2 0 0 0 0 25 41 1 0 0 0 0 26 37 1 0 0 0 0 26 99 1 0 0 0 0 26100 1 0 0 0 0 27 52 1 0 0 0 0 27 59 1 0 0 0 0 27114 1 0 0 0 0 28 63 1 0 0 0 0 28 64 1 0 0 0 0 28131 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 29 66 1 0 0 0 0 30 32 1 0 0 0 0 30 67 1 0 0 0 0 31 33 1 0 0 0 0 31 68 1 0 0 0 0 32 69 1 0 0 0 0 33 70 1 0 0 0 0 33 71 1 0 0 0 0 34 36 2 0 0 0 0 35 73 1 0 0 0 0 36 37 1 0 0 0 0 38 39 1 0 0 0 0 38 40 1 0 0 0 0 38 42 1 0 0 0 0 38 43 1 0 0 0 0 39 52 1 0 0 0 0 39 74 1 0 0 0 0 40 75 1 0 0 0 0 40 76 1 0 0 0 0 41 79 1 0 0 0 0 42 83 1 0 0 0 0 42 84 1 0 0 0 0 42 85 1 0 0 0 0 43 80 1 0 0 0 0 43 81 1 0 0 0 0 43 82 1 0 0 0 0 44 45 1 0 0 0 0 44 46 1 0 0 0 0 44 86 1 0 0 0 0 44 87 1 0 0 0 0 45 47 1 0 0 0 0 45 88 1 0 0 0 0 45 89 1 0 0 0 0 46 48 1 0 0 0 0 46 90 1 0 0 0 0 46 91 1 0 0 0 0 47 49 1 0 0 0 0 47 92 1 0 0 0 0 47 93 1 0 0 0 0 48 50 1 0 0 0 0 48 94 1 0 0 0 0 48 95 1 0 0 0 0 49 51 1 0 0 0 0 49 96 1 0 0 0 0 49 97 1 0 0 0 0 50 53 1 0 0 0 0 50101 1 0 0 0 0 50102 1 0 0 0 0 51 54 1 0 0 0 0 51103 1 0 0 0 0 51104 1 0 0 0 0 53 55 1 0 0 0 0 53105 1 0 0 0 0 53106 1 0 0 0 0 54 56 1 0 0 0 0 54107 1 0 0 0 0 54108 1 0 0 0 0 55 57 1 0 0 0 0 55109 1 0 0 0 0 55110 1 0 0 0 0 56 58 1 0 0 0 0 56111 1 0 0 0 0 56112 1 0 0 0 0 57 61 1 0 0 0 0 57115 1 0 0 0 0 57116 1 0 0 0 0 58 62 1 0 0 0 0 58118 1 0 0 0 0 58119 1 0 0 0 0 59 60 1 0 0 0 0 59120 1 0 0 0 0 59121 1 0 0 0 0 60 63 1 0 0 0 0 60122 1 0 0 0 0 60123 1 0 0 0 0 61124 1 0 0 0 0 61125 1 0 0 0 0 61126 1 0 0 0 0 64 65 1 0 0 0 0 64127 1 0 0 0 0 64128 1 0 0 0 0 65129 1 0 0 0 0 65130 1 0 0 0 0 M END > 986 > 1 > 1620 > 22 > 9 > 34 > AAADcfB/vgNAAAAAAAAAAAAAAAAAAWJAAAAsAAAAAAAAAFgB+AAAHgQQCCAADhzl1waH8L/MFxioQQdxdIKAgC0RELABUKFoVBCDWBpgyEAeRAgPFgLzACH6uIKJAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethyl] hexadecanethioate > hexadecanethioic acid S-[2-[[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethyl-1-oxobutyl]amino]-1-oxopropyl]amino]ethyl] ester > S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] hexadecanethioate > S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] hexadecanethioate > hexadecanethioic acid S-[2-[3-[[4-[[(5-adenin-9-yl-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl)methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethyl] ester > InChI=1S/C37H66N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(46)65-21-20-39-27(45)18-19-40-35(49)32(48)37(2,3)23-58-64(55,56)61-63(53,54)57-22-26-31(60-62(50,51)52)30(47)36(59-26)44-25-43-29-33(38)41-24-42-34(29)44/h24-26,30-32,36,47-48H,4-23H2,1-3H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52) > MNBKLUUYKPBKDU-UHFFFAOYSA-N > 1.7 > 1005.344875 > C37H66N7O17P3S > 1005.942926 > CCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O > CCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O > 389 > 1005.344875 > 0 > 65 > 0 > 5 > 0 > 0 > 0 > 1 > 12 > 1 5 255 > 22 34 8 22 35 8 23 35 8 23 36 8 24 34 8 24 41 8 25 37 8 25 41 8 29 66 3 30 67 3 31 68 3 32 69 3 34 36 8 36 37 8 39 74 3 $$$$