CDK 2/12/10,15:27 53 58 0 0 0 0 0 0 0 0999 V2000 10.0978 -19.9054 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9156 -19.6589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5790 -21.1615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6321 -19.2285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9038 -18.8489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6003 -20.1011 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2638 -20.6997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8060 -21.9558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1290 -18.5868 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6276 -18.4460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3281 -19.7098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9094 -21.2123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6316 -21.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1995 -22.8322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3398 -18.8764 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6433 -17.5186 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.7037 -20.9893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1403 -22.7344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2906 -21.5645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1123 -21.5605 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 14.9692 -21.5605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1123 -20.7389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0810 -22.3822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7909 -21.5605 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 16.6125 -21.5605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7909 -20.7389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7909 -22.3822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4343 -21.5605 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 18.2559 -21.5605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4343 -20.7389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4343 -22.3822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0815 -21.5605 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 19.9071 -21.5645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0815 -20.7389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0815 -22.3822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4940 -20.9893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2883 -21.2123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9340 -20.6997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5662 -21.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6188 -21.1615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3879 -21.9558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0575 -22.7344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1000 -19.9054 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.9982 -22.8322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3096 -19.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5617 -19.2285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2939 -18.8489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5974 -20.1011 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.0687 -18.5868 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.5701 -18.4460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8697 -19.7098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8579 -18.8764 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.5544 -17.5186 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 3 1 1 6 0 0 0 1 4 1 0 0 0 0 2 5 2 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 4 9 2 0 0 0 0 5 10 1 0 0 0 0 6 11 2 0 0 0 0 7 12 1 0 0 0 0 8 13 1 0 0 0 0 8 14 1 1 0 0 0 10 15 2 0 0 0 0 10 16 1 0 0 0 0 12 17 1 6 0 0 0 13 18 1 1 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 23 2 0 0 0 0 21 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 27 2 0 0 0 0 25 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 31 2 0 0 0 0 29 32 1 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 32 35 2 0 0 0 0 33 36 1 0 0 0 0 37 36 1 1 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 38 40 1 0 0 0 0 39 41 1 0 0 0 0 39 42 1 6 0 0 0 40 43 1 1 0 0 0 41 44 1 6 0 0 0 43 45 1 0 0 0 0 43 46 1 0 0 0 0 45 47 2 0 0 0 0 45 48 1 0 0 0 0 46 49 2 0 0 0 0 47 50 1 0 0 0 0 48 51 2 0 0 0 0 50 52 2 0 0 0 0 50 53 1 0 0 0 0 5 9 1 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 40 41 1 0 0 0 0 47 49 1 0 0 0 0 51 52 1 0 0 0 0 M CHG 1 22 -1 M CHG 1 26 -1 M CHG 1 30 -1 M CHG 1 34 -1 M END > CHEBI:58141 > P(1),P(4)-bis(5'-adenosyl) tetraphosphate(4-) > Tetraanion of P1,P4-bis(5'-adenosyl) tetraphosphate arising from deprotonation of the tetraphosphate OH groups; major species at pH 7.3. > 3 > P(1),P(4)-bis(5'-adenosyl) tetraphosphate tetraanion; P(1),P(4)-bis(5'-adenosyl) tetraphosphate; P(1),P(4)-bis(5'-adenosyl) tetraphosphate > C20H24N10O19P4 > 832.35520 > 832.01916 > -4 > Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O > InChI=1S/C20H28N10O19P4/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(45-19)1-43-50(35,36)47-52(39,40)49-53(41,42)48-51(37,38)44-2-8-12(32)14(34)20(46-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H2,21,23,25)(H2,22,24,26)/p-4/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1 > YOAHKNVSNCMZGQ-XPWFQUROSA-J > 7459962 $$$$