Ketcher 10081516002D 1 1.00000 0.00000 0 33 35 0 1 0 999 V2000 10.0320 -4.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0320 -5.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1661 -5.8450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1658 -6.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0320 -7.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8979 -6.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8979 -5.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8491 -5.5360 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.4369 -6.3451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8491 -7.1541 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1581 -8.1053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5701 -8.9142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1579 -9.7234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1090 -9.4143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9181 -10.0022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1092 -8.4143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9181 -7.8266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8488 -10.6744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8488 -10.6744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8982 -3.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7642 -4.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6301 -3.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4961 -4.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6301 -2.8451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3621 -3.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9829 -12.1744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9829 -11.1744 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 9.9829 -10.1744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1170 -10.6744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2510 -12.1744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2510 -11.1744 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 8.2510 -10.1744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3851 -10.6744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 2 7 2 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 7 1 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 16 11 1 0 0 0 13 12 1 0 0 0 13 19 1 1 0 0 14 13 1 0 0 0 14 15 1 6 0 0 14 16 1 0 0 0 16 17 1 6 0 0 19 18 1 0 0 0 1 20 1 0 0 0 20 21 1 0 0 0 21 22 2 0 0 0 22 23 1 0 0 0 22 24 1 0 0 0 23 25 1 0 0 0 18 27 1 0 0 0 27 26 2 0 0 0 27 29 1 0 0 0 27 28 1 0 0 0 29 31 1 0 0 0 31 30 2 0 0 0 31 33 1 0 0 0 31 32 1 0 0 0 M CHG 3 28 -1 32 -1 33 -1 M END > CHEBI:87950 > 9-ribosyl-trans-zeatin 5'-diphosphate(3-) > A organophosphate oxoanion that is ADP(3−) substituted at position N-6 by a (2E)-4-hydroxy-3-methylbut-2-en-1-yl group; major structure at pH 7.3. > 3 > 9-ribosyl-trans-zeatin 5'-diphosphate > N-[(2E)-4-hydroxy-3-methylbut-2-en-1-yl]-5'-O-[(phosphonatooxy)phosphinato]adenosine > C15H20N5O11P2 > 508.294 > 508.06510 > -3 > N(C=1N=CN=C2C1N=CN2[C@@H]3O[C@H](COP(=O)(OP(=O)([O-])[O-])[O-])[C@@H](O)[C@H]3O)C/C=C(/CO)\C > InChI=1S/C15H23N5O11P2/c1-8(4-21)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(23)11(22)9(30-15)5-29-33(27,28)31-32(24,25)26/h2,6-7,9,11-12,15,21-23H,3-5H2,1H3,(H,27,28)(H,16,17,18)(H2,24,25,26)/p-3/b8-2+/t9-,11-,12-,15-/m1/s1 > MXFPFNSSZYNJGX-HNNGNKQASA-K > CPD-4204 > 15280363 $$$$