2-methylthio-N(6)-L-threonylcarbamoyladenine residue

Properties Image MNX_ID MNXM146065 reference chebi:74420 formula C16H19N6O10PS*2 global charge -2 mol weight   InChIKey   InChI   SMILES [*]O[C@H]1[C@@H](O)[C@H](N2C=NC3=C2N=C(SC)N=C3NC(=O)N[C@H](C(=O)[O-])[C@@H](C)O)O[C@@H]1COP([*])(=O)[O-] MNX internals InChI (mnx) InChI=1/C18H27N6O10PS/c1-7(25)9(16(27)28)20-17(29)21-13-10-14(23-18(22-13)36-4)24(6-19-10)15-11(26)12(32-2)8(34-15)5-33-35(3,30)31/h6-9,11-12,15,25-26H,5H2,1-4H3,(H,27,28)(H,30,31)(H2,20,21,22,23,29)/t7-,8-,9+,11-,12-,15-/m1/s1/i2+1,3+1 SMILES (mnx) [CH3:1][C@H:7]([C@@H:9]([C:16](=[O:27])[OH:28])[N:20]=[C:17]([NH:21][C:13]1=[N:22][C:18]([S:36][CH3:4])=[N:23][C:14]2=[C:10]1[N:19]=[CH:6][N:24]2[C@H:15]1[C@H:11]([OH:26])[C@H:12]([O:32][13CH3:2])[C@@H:8]([CH2:5][O:33][P:35]([13CH3:3])([OH:30])=[O:31])[O:34]1)[OH:29])[OH:25]

Parent-child relations graph

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