Marvin 05151316342D 35 39 0 0 1 0 999 V2000 10.7960 -7.0514 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6340 -6.2590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9615 -8.1789 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6000 -7.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3361 -5.8623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9279 -5.8462 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2915 -7.6975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7170 -8.9395 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9299 -6.4069 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.3038 -5.0431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9258 -5.0357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6410 -8.1637 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8968 -8.9395 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1947 -9.5898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6430 -4.6305 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0485 -4.6499 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6533 -8.1731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4298 -9.5898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4809 -7.6534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4785 -6.7804 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 6.4669 -5.6848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5337 -6.7871 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.3817 -6.7740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4636 -4.6765 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 6.4951 -3.8074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5602 -4.6869 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.3706 -4.6702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4287 -3.2705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5138 -3.3148 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1846 -3.7678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7301 -2.4923 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8393 -3.2636 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5655 -2.4793 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2567 -1.8944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0296 -1.8465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 3 1 1 1 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 6 0 0 0 10 15 1 0 0 0 0 10 16 2 0 0 0 0 12 17 1 1 0 0 0 13 18 1 6 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 29 28 1 6 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 30 32 1 0 0 0 0 31 33 1 0 0 0 0 31 34 1 1 0 0 0 33 35 1 1 0 0 0 5 9 1 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 32 33 1 0 0 0 0 32 15 1 6 0 0 0 M CHG 2 22 -1 26 -1 M END > CHEBI:73672 > cyclic ADP-beta-D-ribose(2-) > A nucleotide-sugar oxoanion obtained by deprotonation of the diphosphate OH groups of cyclic ADP-β-D-ribose. > 3 > cyclic ADP-ribose(2-); cyclic ADP-beta-D-ribose; cyclic adenosine diphosphate ribose(2-); cyclic adenosine diphosphate ribose dianion; cADPR(2-) > C15H19N5O13P2 > 539.28460 > 539.04656 > -2 > O[C@H]1[C@@H](O)[C@H]2O[C@@H]1COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc3n2cnc3c1=N > InChI=1S/C15H21N5O13P2/c16-12-7-13-18-4-19(12)14-10(23)8(21)5(31-14)1-29-34(25,26)33-35(27,28)30-2-6-9(22)11(24)15(32-6)20(13)3-17-7/h3-6,8-11,14-16,21-24H,1-2H2,(H,25,26)(H,27,28)/p-2/t5-,6-,8-,9-,10-,11-,14-,15-/m1/s1 > BQOHYSXSASDCEA-KEOHHSTQSA-L > 8886834 > CPD-14880 $$$$