Marvin 02250816432D 36 39 0 0 0 0 999 V2000 0.5678 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5678 -0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2169 0.6674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2169 -0.6674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7018 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.3138 3.5218 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.3138 4.3468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0984 4.6017 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.3534 5.3863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8014 5.9994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0984 3.2668 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.3534 2.4822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5834 3.9343 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.4084 3.9343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9319 1.7994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6464 0.5619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3609 1.7994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6464 3.0369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9319 0.9744 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 -4.9319 0.1494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2247 2.0264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0093 1.7715 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3884 1.4744 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1809 0.9645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9655 0.7096 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5268 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0117 0.6674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0117 -0.6674 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7963 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7568 -1.4521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4638 -0.8974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7963 0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.4638 0.8974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2174 0.5619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6464 2.2119 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 -4.9319 2.6244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24 1 2 0 0 0 0 2 1 1 0 0 0 0 1 3 1 0 0 0 0 23 3 2 0 0 0 0 2 4 2 0 0 0 0 5 4 1 0 0 0 0 3 5 1 0 0 0 0 26 5 1 1 0 0 0 18 6 1 0 0 0 0 11 6 1 0 0 0 0 7 6 1 0 0 0 0 7 8 1 0 0 0 0 8 13 1 0 0 0 0 8 9 1 1 0 0 0 9 10 1 0 0 0 0 13 11 1 0 0 0 0 11 12 1 6 0 0 0 13 14 1 6 0 0 0 19 15 1 0 0 0 0 15 35 1 0 0 0 0 19 16 2 0 0 0 0 35 17 2 0 0 0 0 35 18 1 0 0 0 0 34 19 1 0 0 0 0 19 20 1 0 0 0 0 22 21 2 0 0 0 0 21 23 1 0 0 0 0 24 22 1 0 0 0 0 24 25 1 0 0 0 0 27 26 1 0 0 0 0 28 26 1 0 0 0 0 27 32 1 0 0 0 0 29 28 1 0 0 0 0 28 30 1 6 0 0 0 32 29 1 0 0 0 0 29 31 1 6 0 0 0 32 33 1 1 0 0 0 33 34 1 0 0 0 0 35 36 1 0 0 0 0 M END > CHEBI:16864 > D-ribofuranosyl-ADP > An ADP-aldose having ribose as the aldose fragment. > 3 > CHEBI:2344; CHEBI:13224; CHEBI:20843 > ADP-D-ribose > adenosine 5'-[3-(D-ribofuranosyl) dihydrogen diphosphate] > C15H23N5O14P2 > 559.31594 > 559.07167 > 0 > Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC2O[C@H](CO)[C@@H](O)[C@H]2O)[C@@H](O)[C@H]1O > InChI=1S/C15H23N5O14P2/c16-12-7-13(18-3-17-12)20(4-19-7)14-10(24)9(23)6(31-14)2-30-35(26,27)34-36(28,29)33-15-11(25)8(22)5(1-21)32-15/h3-6,8-11,14-15,21-25H,1-2H2,(H,26,27)(H,28,29)(H2,16,17,18)/t5-,6-,8-,9-,10-,11-,14-,15?/m1/s1 > SDMADEZQMYCSNO-TYASJMOZSA-N > C01882 $$$$