71297196 -OEChem-05072400282D 77 80 0 1 0 0 0 0 0999 V2000 8.4752 1.7879 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 10.1980 1.9660 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 11.9209 2.1440 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 5.9405 0.0235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4026 0.5279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6844 2.2857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6651 1.2015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5115 0.9047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2852 2.3743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0615 0.9779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8888 2.5980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7309 2.7304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1109 1.5577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7466 1.3274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6063 2.8788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7897 1.0531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5073 1.3340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3345 2.9541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -1.2344 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.0186 1.8778 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.4213 2.6844 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -2.8439 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0392 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.5392 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.0392 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4026 0.5261 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9917 1.3341 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9889 -0.2839 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9422 1.0235 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.8124 2.8563 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7523 1.6098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6793 3.3548 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.8996 3.2646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0895 2.6782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.5392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -2.0392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1767 3.0866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7855 4.3492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0130 1.7716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.5392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3667 2.5002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4538 2.9085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.0392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.5392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6438 2.3221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1201 -0.0258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4309 1.7718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4266 -0.7231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4942 0.7410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3299 2.4670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0999 2.1232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3070 2.0413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.2585 3.5760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2471 3.7780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4543 3.6961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7419 2.1648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5348 2.2468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6030 1.4178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0935 1.0653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1000 2.7458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.0279 2.8123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -2.0392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5243 3.6000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7314 3.5180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.4020 4.2833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.8514 4.9656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.1690 4.4150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0191 1.9868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8119 2.0687 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8014 3.4219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0086 3.3400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.2292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -4.3492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -4.3492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8084 0.4119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2428 3.3810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2541 0.7681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 1 11 2 0 0 0 0 2 9 1 0 0 0 0 2 13 1 0 0 0 0 2 15 1 0 0 0 0 2 16 2 0 0 0 0 3 12 1 0 0 0 0 3 13 1 0 0 0 0 3 17 1 0 0 0 0 3 18 2 0 0 0 0 4 28 1 0 0 0 0 4 29 1 0 0 0 0 26 5 1 6 0 0 0 5 59 1 0 0 0 0 27 6 1 6 0 0 0 6 60 1 0 0 0 0 7 31 1 0 0 0 0 8 39 2 0 0 0 0 10 75 1 0 0 0 0 12 45 1 0 0 0 0 14 45 2 0 0 0 0 15 76 1 0 0 0 0 17 77 1 0 0 0 0 28 19 1 1 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 20 30 1 0 0 0 0 20 39 1 0 0 0 0 20 58 1 0 0 0 0 21 32 1 0 0 0 0 21 39 1 0 0 0 0 21 61 1 0 0 0 0 22 36 2 0 0 0 0 22 40 1 0 0 0 0 23 35 2 0 0 0 0 23 44 1 0 0 0 0 24 43 1 0 0 0 0 24 44 2 0 0 0 0 25 43 1 0 0 0 0 25 73 1 0 0 0 0 25 74 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 46 1 0 0 0 0 27 29 1 0 0 0 0 27 47 1 0 0 0 0 28 48 1 0 0 0 0 29 31 1 1 0 0 0 29 49 1 0 0 0 0 30 32 1 0 0 0 0 30 33 1 6 0 0 0 30 50 1 0 0 0 0 31 51 1 0 0 0 0 31 52 1 0 0 0 0 32 38 1 6 0 0 0 32 53 1 0 0 0 0 33 34 1 0 0 0 0 33 54 1 0 0 0 0 33 55 1 0 0 0 0 34 37 1 0 0 0 0 34 56 1 0 0 0 0 34 57 1 0 0 0 0 35 40 1 0 0 0 0 36 62 1 0 0 0 0 37 41 1 0 0 0 0 37 63 1 0 0 0 0 37 64 1 0 0 0 0 38 65 1 0 0 0 0 38 66 1 0 0 0 0 38 67 1 0 0 0 0 40 43 2 0 0 0 0 41 42 1 0 0 0 0 41 68 1 0 0 0 0 41 69 1 0 0 0 0 42 45 1 0 0 0 0 42 70 1 0 0 0 0 42 71 1 0 0 0 0 44 72 1 0 0 0 0 M END > 71297196 > 1 > 1220 > 19 > 8 > 16 > AAADcfB7vAMAAAAAAAAAAAAAAAAAAWLEgAAsAAAAAAAAAFgB+AAAHgAQCCAACDzhlwYH+L/MFxCoQQbxfICAgC0REKABUKEoVBCDWBJAyEAeRAgPFgLTACH4+KKAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > [[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl] 6-[(4R,5S)-5-methyl-2-oxo-imidazolidin-4-yl]hexanoate > 6-[(4R,5S)-5-methyl-2-oxo-4-imidazolidinyl]hexanoic acid [[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] ester > [[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] 6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanoate > [[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] 6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanoate > [[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl] 6-[(4R,5S)-5-methyl-2-oxidanylidene-imidazolidin-4-yl]hexanoate > 6-[(4R,5S)-2-keto-5-methyl-imidazolidin-4-yl]hexanoic acid [[[[(2R,3S,4R,5R)-5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl] ester > InChI=1S/C20H32N7O15P3/c1-10-11(26-20(31)25-10)5-3-2-4-6-13(28)40-44(34,35)42-45(36,37)41-43(32,33)38-7-12-15(29)16(30)19(39-12)27-9-24-14-17(21)22-8-23-18(14)27/h8-12,15-16,19,29-30H,2-7H2,1H3,(H,32,33)(H,34,35)(H,36,37)(H2,21,22,23)(H2,25,26,31)/t10-,11+,12+,15+,16+,19+/m0/s1 > RUTXJSYQOQWGNK-DVYGUSRMSA-N > -4.2 > 703.11692433 > C20H32N7O15P3 > 703.4 > CC1C(NC(=O)N1)CCCCCC(=O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=NC4=C(N=CN=C43)N)O)O > C[C@H]1[C@H](NC(=O)N1)CCCCCC(=O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)O > 326 > 703.11692433 > 0 > 45 > 6 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 28 19 5 19 35 8 19 36 8 22 36 8 22 40 8 23 35 8 23 44 8 24 43 8 24 44 8 29 31 5 30 33 6 32 38 6 35 40 8 40 43 8 26 5 6 27 6 6 $$$$