Ketcher 08171516122D 1 1.00000 0.00000 0 27 29 0 1 0 999 V2000 10.6176 -7.9703 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6176 -8.9695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7523 -9.4691 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7522 -10.4682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6175 -10.9678 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4829 -10.4682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4829 -9.4691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4331 -9.1605 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.0204 -9.9689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4331 -10.7772 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.7419 -11.7277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1545 -12.5358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7418 -13.3442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6920 -13.0354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5005 -13.6229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6921 -12.0362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5005 -11.4490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4338 -14.2945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5684 -15.7933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5684 -14.7941 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 10.5684 -13.7950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7032 -14.2945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8379 -15.7933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8379 -14.7941 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 8.8379 -13.7710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9726 -14.2945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4330 -14.2945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 2 7 1 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 7 2 0 0 0 6 10 1 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 9 10 1 0 0 0 11 10 1 1 0 0 11 12 1 0 0 0 11 16 1 0 0 0 12 13 1 0 0 0 13 27 1 1 0 0 13 14 1 0 0 0 14 15 1 6 0 0 14 16 1 0 0 0 16 17 1 6 0 0 18 20 1 0 0 0 20 19 2 0 0 0 20 22 1 0 0 0 20 21 1 0 0 0 22 24 1 0 0 0 24 23 2 0 0 0 24 26 1 0 0 0 24 25 1 0 0 0 27 18 1 0 0 0 M CHG 2 21 -1 25 -1 M END > CHEBI:87518 > ADP(2-) > An organophosphate oxoanion obtained by deprotonation of two of the three diphosphate OH groups of adenosine 5'-diphosphate. > 3 > 5'-O-{[(hydroxyphosphinato)oxy]phosphinato}adenosine > C10H13N5O10P2 > 425.18630 > 425.01486 > -2 > Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])(=O)OP(O)([O-])=O)[C@@H](O)[C@H]1O > InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1 > XTWYTFMLZFPYCI-KQYNXXCUSA-L > 7558006 $$$$