N1-methyladenine9 in tRNA

Properties Image MNX_ID MNXM22225 reference metacycM:tRNA-Containing-N1-MethylAdenine-9 formula C11H13N5O10P2*2 global charge -2 mol weight   InChIKey   InChI   SMILES [*]OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN(C)C3=N)[C@H](O)[C@@H]1OP(=O)([O-])O[*] MNX internals InChI (mnx) InChI=1/C13H21N5O10P2/c1-17-5-16-12-8(11(17)14)15-6-18(12)13-9(19)10(28-30(22,23)25-3)7(27-13)4-26-29(20,21)24-2/h5-7,9-10,13-14,19H,4H2,1-3H3,(H,20,21)(H,22,23)/b14-11?/t7-,9-,10-,13-/m1/s1/i2+1,3+1 SMILES (mnx) [CH3:1][N:17]1[CH:5]=[N:16][C:12]2=[C:8]([C:11]1=[NH:14])[N:15]=[CH:6][N:18]2[C@H:13]1[C@H:9]([OH:19])[C@H:10]([O:28][P:30]([OH:22])(=[O:23])[O:25][13CH3:3])[C@@H:7]([CH2:4][O:26][P:29]([OH:20])(=[O:21])[O:24][13CH3:2])[O:27]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0