15938962 -OEChem-05112413202D 79 83 0 1 0 0 0 0 0999 V2000 15.5729 1.6998 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.4752 1.9660 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 10.1980 2.1440 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 11.9209 2.3221 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 5.9405 0.2015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4026 0.7059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6844 2.4638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6651 1.3796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2852 2.5524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0615 1.1560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8888 2.7760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1109 1.7357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7309 2.9085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6063 3.0569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7897 1.2312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5073 1.5121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3345 3.1322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -1.0564 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -2.6658 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.8611 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.3611 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.8611 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.9755 2.5063 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 20.2682 1.4302 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.9791 0.2734 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.9110 3.1250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4026 0.7042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9917 1.5122 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9889 -0.1058 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9422 1.2015 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7523 1.7879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.3611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -1.8611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.3611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.8611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.3611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2335 3.1768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3667 2.6782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4538 3.0866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9540 2.7126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6438 2.5002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5672 1.5935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3398 4.1711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6219 1.9682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6004 2.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3112 1.0177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9576 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6254 -0.2647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1201 0.1523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4309 1.9498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4266 -0.5450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4942 0.9191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0999 2.3013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3070 2.2194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0935 1.2434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1000 2.9238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -1.8611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.0511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -4.1711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -4.1711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8084 0.5900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8014 3.6000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0086 3.5180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4804 3.0402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7228 3.2878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2962 1.9868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0890 2.0687 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8763 1.0560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9563 4.1052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4057 4.7876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7233 4.2370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2428 3.5591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7045 0.8899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2541 0.9461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5177 3.2528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.4970 3.5865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.1639 -0.6787 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.0395 -0.7261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.0869 0.1494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 38 1 0 0 0 0 1 42 1 0 0 0 0 2 8 1 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 2 11 2 0 0 0 0 3 9 1 0 0 0 0 3 12 1 0 0 0 0 3 14 1 0 0 0 0 3 15 2 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 4 16 1 0 0 0 0 4 17 2 0 0 0 0 5 29 1 0 0 0 0 5 30 1 0 0 0 0 27 6 1 6 0 0 0 6 55 1 0 0 0 0 28 7 1 6 0 0 0 7 56 1 0 0 0 0 8 31 1 0 0 0 0 10 61 1 0 0 0 0 13 41 1 0 0 0 0 14 72 1 0 0 0 0 16 74 1 0 0 0 0 29 18 1 1 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 19 33 2 0 0 0 0 19 34 1 0 0 0 0 20 32 2 0 0 0 0 20 36 1 0 0 0 0 21 35 1 0 0 0 0 21 36 2 0 0 0 0 22 35 1 0 0 0 0 22 59 1 0 0 0 0 22 60 1 0 0 0 0 23 37 1 0 0 0 0 23 40 1 0 0 0 0 23 42 2 0 0 0 0 24 45 2 0 0 0 0 24 47 1 0 0 0 0 25 46 1 0 0 0 0 25 47 2 0 0 0 0 26 45 1 0 0 0 0 26 75 1 0 0 0 0 26 76 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 49 1 0 0 0 0 28 30 1 0 0 0 0 28 50 1 0 0 0 0 29 51 1 0 0 0 0 30 31 1 1 0 0 0 30 52 1 0 0 0 0 31 53 1 0 0 0 0 31 54 1 0 0 0 0 32 34 1 0 0 0 0 33 57 1 0 0 0 0 34 35 2 0 0 0 0 36 58 1 0 0 0 0 37 38 2 0 0 0 0 37 43 1 0 0 0 0 38 39 1 0 0 0 0 39 41 1 0 0 0 0 39 62 1 0 0 0 0 39 63 1 0 0 0 0 40 44 1 0 0 0 0 40 64 1 0 0 0 0 40 65 1 0 0 0 0 41 66 1 0 0 0 0 41 67 1 0 0 0 0 42 68 1 0 0 0 0 43 69 1 0 0 0 0 43 70 1 0 0 0 0 43 71 1 0 0 0 0 44 45 1 0 0 0 0 44 46 2 0 0 0 0 46 73 1 0 0 0 0 47 48 1 0 0 0 0 48 77 1 0 0 0 0 48 78 1 0 0 0 0 48 79 1 0 0 0 0 M CHG 1 23 1 M END > 15938962 > 1 > 1260 > 21 > 7 > 14 > AAADceB7/ANAAAAAAAAAAAAAAAAAAWLEgAAsWAAAAAAAAFgB/gAAHgQQCCAADBzh3wav8b9MFxikQxZnZICA8K1xGLgBWDQ4VBiDeIJgyUAeRAgvQAPbSCLwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > [2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-thiazol-3-ium-5-yl]ethoxy-hydroxy-phosphoryl] [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] hydrogen phosphate > [2-[3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-thiazol-3-iumyl]ethoxy-hydroxyphosphoryl] [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] hydrogen phosphate > [2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethoxy-hydroxyphosphoryl] [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate > [2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethoxy-hydroxyphosphoryl] [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate > [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethoxy-oxidanyl-phosphoryl] hydrogen phosphate > [[(2R,3S,4R,5R)-5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-thiazol-3-ium-5-yl]ethoxy-hydroxy-phosphoryl] hydrogen phosphate > InChI=1S/C22H30N9O13P3S/c1-11-15(48-10-30(11)6-13-5-25-12(2)29-19(13)23)3-4-40-45(34,35)43-47(38,39)44-46(36,37)41-7-14-17(32)18(33)22(42-14)31-9-28-16-20(24)26-8-27-21(16)31/h5,8-10,14,17-18,22,32-33H,3-4,6-7H2,1-2H3,(H6-,23,24,25,26,27,29,34,35,36,37,38,39)/p+1/t14-,17-,18-,22-/m1/s1 > FGOYXNBJKMNPDH-SAJUPQAESA-O > -3.7 > 754.09748924 > C22H31N9O13P3S+ > 754.5 > CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCOP(=O)(O)OP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C(N=CN=C54)N)O)O > CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCOP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O > 352 > 754.09748924 > 1 > 48 > 4 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 1 38 8 1 42 8 29 18 5 18 32 8 18 33 8 19 33 8 19 34 8 20 32 8 20 36 8 21 35 8 21 36 8 23 37 8 23 42 8 24 45 8 24 47 8 25 46 8 25 47 8 30 31 5 32 34 8 34 35 8 37 38 8 44 45 8 44 46 8 27 6 6 28 7 6 $$$$