an N3-methyladenine in DNA

Properties Image MNX_ID MNXM148790 reference metacycM:DNA-3-methyladenines formula C11H13N5O9P2*2 global charge -2 mol weight   InChIKey   InChI   SMILES [*]OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N(C)C=NC3=N)C[C@@H]1OP(=O)([O-])O[*] MNX internals InChI (mnx) InChI=1/C13H21N5O9P2/c1-17-6-16-12(14)11-13(17)18(7-15-11)10-4-8(27-29(21,22)24-3)9(26-10)5-25-28(19,20)23-2/h6-10,14H,4-5H2,1-3H3,(H,19,20)(H,21,22)/b14-12?/t8-,9+,10+/m0/s1/i2+1,3+1 SMILES (mnx) [CH3:1][N:17]1[CH:6]=[N:16][C:12](=[NH:14])[C:11]2=[C:13]1[N:18]([C@H:10]1[CH2:4][C@H:8]([O:27][P:29]([OH:21])(=[O:22])[O:24][13CH3:3])[C@@H:9]([CH2:5][O:25][P:28]([OH:19])(=[O:20])[O:23][13CH3:2])[O:26]1)[CH:7]=[N:15]2

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0