CDK 2/12/10,15:27 27 29 0 0 0 0 0 0 0 0999 V2000 9.5467 -4.9733 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4787 -6.5024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7613 -4.7241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0300 -4.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2333 -7.2727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8029 -6.0116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7613 -3.8934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0401 -5.1432 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5504 -3.6367 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3988 -7.2727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7165 -7.9334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1383 -6.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0401 -3.4818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3265 -4.7241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9269 -7.9409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3190 -5.7926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3265 -3.8934 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0364 -2.6625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1037 -7.9409 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 6.7300 -6.3703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2882 -7.9409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1000 -8.7603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1037 -7.1178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9107 -6.3703 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 5.0913 -6.3740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9068 -7.1934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9068 -5.5510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 3 7 2 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 5 11 1 6 0 0 0 6 12 1 0 0 0 0 7 13 1 0 0 0 0 8 14 2 0 0 0 0 10 15 1 6 0 0 0 12 16 1 1 0 0 0 13 17 2 0 0 0 0 13 18 1 0 0 0 0 15 19 1 0 0 0 0 16 20 1 0 0 0 0 19 21 1 0 0 0 0 19 22 1 0 0 0 0 19 23 2 0 0 0 0 20 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 7 9 1 0 0 0 0 10 12 1 0 0 0 0 14 17 1 0 0 0 0 M CHG 1 21 -1 M CHG 1 22 -1 M CHG 1 25 -1 M CHG 1 26 -1 M END > CHEBI:58343 > adenosine 3',5'-bismonophosphate(4-) > An organophosphate oxoanion arising from deprotonation of the phosphate OH groups of adenosine 3',5'-bismonophosphate; major species at pH 7.3. > 3 > adenosine 3',5'-bisphosphate; adenosine 3',5'-bismonophosphate tetraanion; adenosine 3',5'-bismonophosphate; 3',5'-di-O-phosphonatoadenosine > C10H11N5O10P2 > 423.16940 > 423.00031 > -4 > Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])([O-])=O)[C@@H](OP([O-])([O-])=O)[C@H]1O > InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7(25-27(20,21)22)4(24-10)1-23-26(17,18)19/h2-4,6-7,10,16H,1H2,(H2,11,12,13)(H2,17,18,19)(H2,20,21,22)/p-4/t4-,6-,7-,10-/m1/s1 > WHTCPDAXWFLDIH-KQYNXXCUSA-J $$$$