N(6)-(3-methylbut-2-en-1-yl)-2-(methylsulfanyl)adenosine 5'-phosphate residue

Properties Image MNX_ID MNXM146064 reference chebi:74417 formula C16H21N5O6PS*2 global charge -1 mol weight   InChIKey   InChI   SMILES [*]O[C@H]1[C@@H](O)[C@H](N2C=NC3=C2N=C(SC)N=C3NCC=C(C)C)O[C@@H]1COP([*])(=O)[O-] MNX internals InChI (mnx) InChI=1/C18H28N5O6PS/c1-10(2)6-7-19-15-12-16(22-18(21-15)31-5)23(9-20-12)17-13(24)14(27-3)11(29-17)8-28-30(4,25)26/h6,9,11,13-14,17,24H,7-8H2,1-5H3,(H,25,26)(H,19,21,22)/t11-,13-,14-,17-/m1/s1/i3+1,4+1 SMILES (mnx) [CH3:1][C:10]([CH3:2])=[CH:6][CH2:7][NH:19][C:15]1=[N:21][C:18]([S:31][CH3:5])=[N:22][C:16]2=[C:12]1[N:20]=[CH:9][N:23]2[C@H:17]1[C@H:13]([OH:24])[C@H:14]([O:27][13CH3:3])[C@@H:11]([CH2:8][O:28][P:30]([13CH3:4])([OH:25])=[O:26])[O:29]1

Parent-child relations graph

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