Ketcher 10071511252D 1 1.00000 0.00000 0 43 46 0 1 0 999 V2000 8.2286 -5.3954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2776 -5.7044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6897 -4.8954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2776 -4.0863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2286 -4.3954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0377 -3.8078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9685 -6.6554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6898 -4.8953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9686 -3.1351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7509 -2.7486 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.7999 -2.4396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0567 -3.1087 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.2646 -4.0869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2156 -4.3959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9588 -3.7268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9098 -4.0359 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.2156 -5.3959 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.2645 -5.7048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6767 -4.8959 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.6768 -4.8957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0889 -5.7048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3979 -6.6559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1379 -5.3957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3289 -5.9835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0891 -4.0868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1380 -4.3959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3289 -3.8081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4152 -4.2148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9512 -4.2145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5495 -2.7147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6833 -4.2145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8173 -2.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8173 -3.7145 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 10.8171 -4.7147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5495 -3.7148 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 12.5494 -4.7148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1899 -4.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1899 -4.0290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6901 -3.1631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6900 -3.1629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6900 -3.1629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1901 -2.2968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1899 -4.0287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 7 1 0 0 0 3 2 1 0 0 0 3 8 1 6 0 0 3 4 1 0 0 0 4 9 1 6 0 0 4 5 1 0 0 0 5 1 1 0 0 0 5 6 1 1 0 0 29 6 1 0 0 0 10 11 2 0 0 0 10 15 1 0 0 0 11 12 1 0 0 0 12 13 2 0 0 0 13 14 1 0 0 0 13 19 1 0 0 0 14 15 2 0 0 0 14 17 1 0 0 0 15 16 1 0 0 0 17 18 2 0 0 0 18 19 1 0 0 0 20 19 1 1 0 0 21 20 1 0 0 0 20 25 1 0 0 0 21 22 1 6 0 0 21 23 1 0 0 0 23 24 1 6 0 0 23 26 1 0 0 0 26 25 1 0 0 0 26 27 1 1 0 0 27 28 1 0 0 0 28 35 1 0 0 0 33 29 1 0 0 0 35 30 2 0 0 0 35 31 1 0 0 0 31 33 1 0 0 0 33 32 2 0 0 0 33 34 1 0 0 0 35 36 1 0 0 0 8 37 1 0 0 0 37 38 1 0 0 0 37 39 2 0 0 0 38 40 1 0 0 0 40 41 1 0 0 0 41 42 2 0 0 0 41 43 1 0 0 0 M END > CHEBI:88145 > 2''-O-succinyl-ADP-D-ribose > A nucleotide-sugar having ADP as the nucleotide fragment and 2-O-succinyl-D-ribofuranos-5-yl as the sugar component. > 3 > 2''-O-succinyl-ADP-ribose > adenosine 5'-{3-[2-O-(3-carboxypropanoyl)-D-ribofuranos-5-O-yl] dihydrogen diphosphate} > C19H27N5O17P2 > 659.389 > 659.08772 > 0 > O1C(O)[C@H](OC(CCC(=O)O)=O)[C@H](O)[C@H]1COP(OP(OC[C@@H]2[C@H]([C@H]([C@H](N3C4=NC=NC(=C4N=C3)N)O2)O)O)(=O)O)(=O)O > InChI=1S/C19H27N5O17P2/c20-16-11-17(22-5-21-16)24(6-23-11)18-14(30)12(28)7(38-18)3-36-42(32,33)41-43(34,35)37-4-8-13(29)15(19(31)39-8)40-10(27)2-1-9(25)26/h5-8,12-15,18-19,28-31H,1-4H2,(H,25,26)(H,32,33)(H,34,35)(H2,20,21,22)/t7-,8-,12-,13-,14-,15-,18-,19?/m1/s1 > AKEYIRFGFICPER-DBTCLECXSA-N > 21769012 $$$$