71627306 -OEChem-04272400462D 143145 0 1 0 0 0 0 0999 V2000 21.4481 2.5082 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.3548 2.9099 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 8.4752 1.6701 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 10.1980 1.8482 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 5.9405 -0.0944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6844 2.1679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4026 0.4100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6651 1.0837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2852 2.2565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0252 3.6519 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.6128 3.5803 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.0968 2.2395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1109 1.4398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0615 0.8601 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.8888 2.4801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8494 0.2149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6063 2.7610 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 9.7897 0.9353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4538 2.7907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8996 3.1468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4638 1.1052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -1.3522 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -2.9617 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.1570 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.6570 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.1570 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.4695 1.3877 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.9152 1.7438 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9917 1.2163 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4026 0.4083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9422 0.9056 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9889 -0.4017 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7523 1.4920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.6570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -2.1570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.6570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.1570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8337 1.6179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.6570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.6982 3.1683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.7854 3.5766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.5082 3.7547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.9753 2.9903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.4211 3.3464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.0625 3.3986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9209 2.0262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7466 1.2096 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 35.2311 3.9328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.2524 2.8122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.1439 3.5245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.3396 3.2205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2421 2.5308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4254 0.7051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.9540 4.1108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.5296 2.6341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.8668 3.7025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.6167 3.0424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5566 1.7960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.6768 4.2889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8067 2.4561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.5897 3.8806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8939 2.8644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2795 1.9740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 40.3997 4.4670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1923 1.5657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0838 2.2780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0024 2.1521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1710 2.6863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7252 2.3302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3610 2.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6381 1.9219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4309 1.6540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1220 0.9612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4942 0.6232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4266 -0.8409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0999 2.0054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3070 1.9235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0935 0.9475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -2.1570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.3470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 32.3506 2.6549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 33.1434 2.7369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 32.1329 4.0900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.3401 4.0081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 33.8558 4.2681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 33.0630 4.1862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.6277 2.4769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.4206 2.5588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 34.0735 2.8330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 34.8663 2.9149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.4101 3.9120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.6172 3.8300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2444 0.8460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2685 2.5396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4757 2.4577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 35.5787 4.4462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 34.7859 4.3642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.9049 2.2988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.6977 2.3807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 35.7963 3.0111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 36.5892 3.0930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.6872 3.7339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.8944 3.6520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8080 2.2776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4952 3.0967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6761 2.7839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8595 0.9582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1723 0.1391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9914 0.4519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 37.3016 4.6242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 36.5087 4.5423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -4.4670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -4.4670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.1820 2.1207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.9748 2.2027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 37.5192 3.1891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 38.3121 3.2711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.9643 3.5558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.1715 3.4739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 39.0244 4.8023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 38.2316 4.7204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.4591 1.9427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.2519 2.0246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4154 -0.0383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 39.2421 3.3672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 40.0349 3.4491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5332 0.7709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.2414 3.3778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.4486 3.2958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6271 2.4874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8342 2.4055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 40.7633 3.9648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 40.9019 4.8305 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 40.0362 4.9692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8447 1.0523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6376 1.1343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.1476 1.6613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.1072 3.3030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9789 1.1271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.0728 2.8436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2800 2.7616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.2905 1.4085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.0833 1.4904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 70 1 0 0 0 0 1 71 1 0 0 0 0 2 6 1 0 0 0 0 2 10 1 0 0 0 0 2 11 1 0 0 0 0 2 12 2 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 3 14 1 0 0 0 0 3 15 2 0 0 0 0 4 9 1 0 0 0 0 4 13 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 29 6 1 6 0 0 0 30 7 1 6 0 0 0 7 78 1 0 0 0 0 8 33 1 0 0 0 0 13 46 1 0 0 0 0 47 16 1 6 0 0 0 16124 1 0 0 0 0 19 58 2 0 0 0 0 20 67 2 0 0 0 0 21 70 2 0 0 0 0 32 22 1 1 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 39 1 0 0 0 0 25 37 1 0 0 0 0 25 39 2 0 0 0 0 26 37 1 0 0 0 0 26112 1 0 0 0 0 26113 1 0 0 0 0 27 58 1 0 0 0 0 27 63 1 0 0 0 0 27127 1 0 0 0 0 28 67 1 0 0 0 0 28 69 1 0 0 0 0 28139 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 29 72 1 0 0 0 0 30 32 1 0 0 0 0 30 73 1 0 0 0 0 31 33 1 1 0 0 0 31 74 1 0 0 0 0 32 75 1 0 0 0 0 33 76 1 0 0 0 0 33 77 1 0 0 0 0 34 36 1 0 0 0 0 35 79 1 0 0 0 0 36 37 2 0 0 0 0 38 46 1 0 0 0 0 38 47 1 0 0 0 0 38 52 1 0 0 0 0 38 53 1 0 0 0 0 39 80 1 0 0 0 0 40 41 1 0 0 0 0 40 42 1 0 0 0 0 40 81 1 0 0 0 0 40 82 1 0 0 0 0 41 43 1 0 0 0 0 41 83 1 0 0 0 0 41 84 1 0 0 0 0 42 44 1 0 0 0 0 42 85 1 0 0 0 0 42 86 1 0 0 0 0 43 45 1 0 0 0 0 43 87 1 0 0 0 0 43 88 1 0 0 0 0 44 48 1 0 0 0 0 44 89 1 0 0 0 0 44 90 1 0 0 0 0 45 49 1 0 0 0 0 45 91 1 0 0 0 0 45 92 1 0 0 0 0 46 94 1 0 0 0 0 46 95 1 0 0 0 0 47 58 1 0 0 0 0 47 93 1 0 0 0 0 48 50 1 0 0 0 0 48 96 1 0 0 0 0 48 97 1 0 0 0 0 49 51 1 0 0 0 0 49 98 1 0 0 0 0 49 99 1 0 0 0 0 50 54 1 0 0 0 0 50100 1 0 0 0 0 50101 1 0 0 0 0 51 55 1 0 0 0 0 51102 1 0 0 0 0 51103 1 0 0 0 0 52104 1 0 0 0 0 52105 1 0 0 0 0 52106 1 0 0 0 0 53107 1 0 0 0 0 53108 1 0 0 0 0 53109 1 0 0 0 0 54 56 1 0 0 0 0 54110 1 0 0 0 0 54111 1 0 0 0 0 55 57 1 0 0 0 0 55114 1 0 0 0 0 55115 1 0 0 0 0 56 59 1 0 0 0 0 56116 1 0 0 0 0 56117 1 0 0 0 0 57 60 1 0 0 0 0 57118 1 0 0 0 0 57119 1 0 0 0 0 59 61 1 0 0 0 0 59120 1 0 0 0 0 59121 1 0 0 0 0 60 62 1 0 0 0 0 60122 1 0 0 0 0 60123 1 0 0 0 0 61 64 1 0 0 0 0 61125 1 0 0 0 0 61126 1 0 0 0 0 62 66 1 0 0 0 0 62128 1 0 0 0 0 62129 1 0 0 0 0 63 65 1 0 0 0 0 63130 1 0 0 0 0 63131 1 0 0 0 0 64132 1 0 0 0 0 64133 1 0 0 0 0 64134 1 0 0 0 0 65 67 1 0 0 0 0 65135 1 0 0 0 0 65136 1 0 0 0 0 66 68 2 0 0 0 0 66137 1 0 0 0 0 68 70 1 0 0 0 0 68138 1 0 0 0 0 69 71 1 0 0 0 0 69140 1 0 0 0 0 69141 1 0 0 0 0 71142 1 0 0 0 0 71143 1 0 0 0 0 M CHG 4 10 -1 11 -1 14 -1 17 -1 M END > 71627306 > 1 > 1750 > 22 > 5 > 38 > AAADcfB/vgNAAAAAAAAAAAAAAAAAAWJAAAAsAAAAAAAAAFgB+AAAHgQQCCAADhzl1waH8L/MFxioQSdzdIKAgC0xELAJWKFoVFiDWBpAyUAeRAgPlgL7AaPysIIJAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-[[[[(3R)-4-[[3-[2-[(E)-docos-2-enoyl]sulfanylethylamino]-3-oxo-propyl]amino]-3-hydroxy-2,2-dimethyl-4-oxo-butoxy]-oxido-phosphoryl]oxy-oxido-phosphoryl]oxymethyl]-4-hydroxy-tetrahydrofuran-3-yl] phosphate > [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[[[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[2-[[(E)-1-oxodocos-2-enyl]thio]ethylamino]propyl]amino]butoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]-3-oxolanyl] phosphate > [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-[[[[(3R)-4-[[3-[2-[(E)-docos-2-enoyl]sulfanylethylamino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl] phosphate > [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-[[[[(3R)-4-[[3-[2-[(E)-docos-2-enoyl]sulfanylethylamino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl] phosphate > [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-[[[[(3R)-4-[[3-[2-[(E)-docos-2-enoyl]sulfanylethylamino]-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butoxy]-oxidanidyl-phosphoryl]oxy-oxidanidyl-phosphoryl]oxymethyl]-4-oxidanyl-oxolan-3-yl] phosphate > [(2R,3S,4R,5R)-5-adenin-9-yl-2-[[[[(3R)-4-[[3-[2-[[(E)-docos-2-enoyl]thio]ethylamino]-3-keto-propyl]amino]-3-hydroxy-4-keto-2,2-dimethyl-butoxy]-oxido-phosphoryl]oxy-oxido-phosphoryl]oxymethyl]-4-hydroxy-tetrahydrofuran-3-yl] phosphate > InChI=1S/C43H76N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-34(52)71-27-26-45-33(51)24-25-46-41(55)38(54)43(2,3)29-64-70(61,62)67-69(59,60)63-28-32-37(66-68(56,57)58)36(53)42(65-32)50-31-49-35-39(44)47-30-48-40(35)50/h22-23,30-32,36-38,42,53-54H,4-21,24-29H2,1-3H3,(H,45,51)(H,46,55)(H,59,60)(H,61,62)(H2,44,47,48)(H2,56,57,58)/p-4/b23-22+/t32-,36-,37-,38+,42-/m1/s1 > KRTIFNFQCJTGMV-DYAVHEMFSA-J > 4.5 > 1083.39182602 > C43H72N7O17P3S-4 > 1084.1 > CCCCCCCCCCCCCCCCCCCC=CC(=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 > CCCCCCCCCCCCCCCCCCC/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)([O-])[O-])O > 400 > 1083.39182602 > -4 > 71 > 5 > 0 > 1 > 0 > 0 > 1 > -1 > 1 5 255 > 47 16 6 32 22 5 22 34 8 22 35 8 23 35 8 23 36 8 24 34 8 24 39 8 25 37 8 25 39 8 31 33 5 34 36 8 36 37 8 29 6 6 30 7 6 $$$$