986 -OEChem-04262405412D 131133 0 1 0 0 0 0 0999 V2000 21.4481 2.6208 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.3548 3.0224 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 8.4752 1.7827 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 10.1980 1.9607 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 5.9405 0.0182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6844 2.2805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4026 0.5226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6651 1.1963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0252 3.7644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6128 3.6929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2852 2.3690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0968 2.3520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0615 0.9726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1109 1.5524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8888 2.5927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8494 0.3275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6063 2.8736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7897 1.0479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4538 2.9032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4638 1.2178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8996 3.2594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -1.2397 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -2.8492 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0444 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.5444 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.0444 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.4695 1.5002 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.9152 1.8564 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9917 1.3289 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.4026 0.5209 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.9422 1.0182 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.9889 -0.2892 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.7523 1.6046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.5444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -2.0444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.5444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.0444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8337 1.7305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7466 1.3222 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.9209 2.1388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.5444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2421 2.6433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4254 0.8176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.2524 2.9248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.3396 3.3331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.0625 3.5112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.5296 2.7467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.9753 3.1028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.6167 3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.7854 3.6892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8067 2.5686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5566 1.9085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.6982 3.2809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8939 2.9770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.5082 3.8673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0838 2.3906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.4211 3.4590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1710 2.7989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2795 2.0866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1923 1.6783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.2311 4.0454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3610 2.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0024 2.2647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7252 2.4428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6381 2.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4309 1.7665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1220 1.0738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4942 0.7358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4266 -0.7283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0999 2.1180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3070 2.0360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0935 1.0601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -2.0444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2444 0.9586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2685 2.6522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4757 2.5702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8346 4.3544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0228 3.5023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.2344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8080 2.3902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4952 3.2093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6761 2.8965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8595 1.0708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1723 0.2517 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9914 0.5645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.9049 2.4114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.6977 2.4933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.6872 3.8465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.8944 3.7645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.4101 4.0245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.6172 3.9426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.1820 2.2333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.9748 2.3152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.6277 2.5894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.4206 2.6714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.9643 3.6684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.1715 3.5865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8084 0.4067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -4.3544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -4.3544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 32.1329 4.2026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.3401 4.1207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.4591 2.0552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.2519 2.1372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 32.3506 2.7675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 33.1434 2.8494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.2414 3.4904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.4486 3.4084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 33.8558 4.3807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 33.0630 4.2988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.7362 1.8772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.5291 1.9591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4154 0.0743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5332 0.8835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 34.0735 2.9456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 34.8663 3.0275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2428 3.3758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.5186 3.3123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.7257 3.2303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6271 2.6000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8342 2.5181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8447 1.1649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6376 1.2468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 35.5947 3.5431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 35.7333 4.4089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 34.8675 4.5476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.0728 2.9562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2800 2.8742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.2905 1.5210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.0833 1.6030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9789 1.2396 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 2 0 0 0 0 24 41 1 0 0 0 0 25 37 1 0 0 0 0 25 41 2 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 1 0 0 0 0 35 73 1 0 0 0 0 36 37 2 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 80 1 0 0 0 0 42 81 1 0 0 0 0 42 82 1 0 0 0 0 43 83 1 0 0 0 0 43 84 1 0 0 0 0 43 85 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-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 > 1005.34487583 > C37H66N7O17P3S > 1005.9 > CCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)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=C(N=CN=C32)N)O)OP(=O)(O)O)O > 389 > 1005.34487583 > 0 > 65 > 0 > 5 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 39 16 3 32 22 3 22 34 8 22 35 8 23 35 8 23 36 8 24 34 8 24 41 8 25 37 8 25 41 8 31 33 3 34 36 8 36 37 8 29 6 3 30 7 3 $$$$