Marvin 06241313332D 36 39 0 0 1 0 999 V2000 10.9556 -6.0262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4406 -5.3588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4404 -6.6937 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.2252 -5.6139 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.2252 -6.4388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9397 -5.2014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9396 -6.8514 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.6541 -6.4389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6541 -5.6139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4387 -5.3590 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.9237 -6.0265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4387 -6.6939 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.6937 -7.4787 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.2087 -8.1460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6936 -8.8136 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.4386 -9.5982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4782 -8.5586 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.1457 -9.0436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4783 -7.7336 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.1457 -7.2487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9397 -4.3764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1306 -6.0261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1858 -4.5742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7379 -3.9612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4830 -3.1765 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0352 -2.5635 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6762 -3.0049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1240 -3.6178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4213 -2.2201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6144 -2.0484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8421 -2.7351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0970 -3.5198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3943 -2.1220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2012 -2.2936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9395 -7.6764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6417 -9.8117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 2 0 0 0 0 21 6 2 0 0 0 0 6 4 1 0 0 0 0 6 9 1 0 0 0 0 4 5 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 13 12 1 1 0 0 0 13 14 1 0 0 0 0 13 19 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 1 0 0 0 15 17 1 0 0 0 0 17 18 1 6 0 0 0 17 19 1 0 0 0 0 19 20 1 6 0 0 0 1 22 1 0 0 0 0 2 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 1 0 0 0 28 27 2 0 0 0 0 29 27 1 0 0 0 0 25 27 1 0 0 0 0 29 30 1 0 0 0 0 32 31 2 0 0 0 0 33 31 1 0 0 0 0 26 31 1 0 0 0 0 33 34 1 0 0 0 0 7 35 1 0 0 0 0 16 36 1 0 0 0 0 M END > CHEBI:46574 > wybutosine > A nucleoside analogue having methyl (2S)-4-(4,6-dimethyl-9-oxo-4,9-dihydro-3H-imidazo[1,2-a]purin-7-yl)-2-[(methoxycarbonyl)amino]butanoate as the modified nucleobase. > 3 > yw > 7-{(3S)-4-methoxy-3-[(methoxycarbonyl)amino]-4-oxobutyl}-4,6-dimethyl-3-(beta-D-ribofuranosyl)-3,4-dihydro-9H-imidazo[1,2-a]purin-9-one > C21H28N6O9 > 508.48180 > 508.19178 > 0 > COC(=O)N[C@@H](CCc1c(C)nc2n(C)c3n(cnc3c(=O)n12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C(=O)OC > InChI=1S/C21H28N6O9/c1-9-11(6-5-10(19(32)34-3)24-21(33)35-4)27-17(31)13-16(25(2)20(27)23-9)26(8-22-13)18-15(30)14(29)12(7-28)36-18/h8,10,12,14-15,18,28-30H,5-7H2,1-4H3,(H,24,33)/t10-,12+,14+,15+,18+/m0/s1 > QAOHCFGKCWTBGC-QHOAOGIMSA-N > 4625655 > 11964003; 16005430; 16642040; 17150819; 17727881; 19287006; 19717466; 20382657; 20423905; 20972222; 21670254; 21917924 $$$$