an adenosine-5'-diphospho-5'-[DNA]

Properties Image MNX_ID MNXM163254 reference metacycM:A-5-prime-PP-5-prime-DNA formula C15H19N5O15P3*2 global charge -3 mol weight   InChIKey   InChI   SMILES [*]OP(=O)([O-])O[C@H]1C[C@H]([*])O[C@@H]1COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O MNX internals InChI (mnx) InChI=1/C17H28N5O15P3/c1-8-3-9(36-38(25,26)31-2)10(34-8)4-32-39(27,28)37-40(29,30)33-5-11-13(23)14(24)17(35-11)22-7-21-12-15(18)19-6-20-16(12)22/h6-11,13-14,17,23-24H,3-5H2,1-2H3,(H,25,26)(H,27,28)(H,29,30)(H2,18,19,20)/t8-,9-,10+,11+,13+,14+,17+/m0/s1/i1+1,2+1 SMILES (mnx) [13CH3:1][C@H:8]1[CH2:3][C@H:9]([O:36][P:38]([OH:25])(=[O:26])[O:31][13CH3:2])[C@@H:10]([CH2:4][O:32][P:39]([OH:27])(=[O:28])[O:37][P:40]([OH:29])(=[O:30])[O:33][CH2:5][C@@H:11]2[C@@H:13]([OH:23])[C@@H:14]([OH:24])[C@H:17]([N:22]3[CH:7]=[N:21][C:12]4=[C:15]([NH2:18])[N:19]=[CH:6][N:20]=[C:16]43)[O:35]2)[O:34]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 4 in models (compartimentalized) 0