N6-[(2E)-4-hydroxy-3-methylbut-2-en-1-yl]-2-(methylsulfanyl)adenosine37 in tRNA

Properties Image MNX_ID MNXM1134970 reference metacycM:tRNA-ms2io6A37-trans formula C16H21N5O11P2S*2 global charge -2 mol weight   InChIKey   InChI   SMILES [*]OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C(NC/C=C(\C)CO)N=C(SC)N=C32)[C@H](O)[C@@H]1OP(=O)([O-])O[*] MNX internals InChI (mnx) InChI=1/C18H29N5O11P2S/c1-10(7-24)5-6-19-15-12-16(22-18(21-15)37-4)23(9-20-12)17-13(25)14(34-36(28,29)31-3)11(33-17)8-32-35(26,27)30-2/h5,9,11,13-14,17,24-25H,6-8H2,1-4H3,(H,26,27)(H,28,29)(H,19,21,22)/b10-5+/t11-,13-,14-,17-/m1/s1/i2+1,3+1 SMILES (mnx) [CH3:1]/[C:10](=[CH:5]\[CH2:6][NH:19][C:15]1=[N:21][C:18]([S:37][CH3:4])=[N:22][C:16]2=[C:12]1[N:20]=[CH:9][N:23]2[C@H:17]1[C@H:13]([OH:25])[C@H:14]([O:34][P:36]([OH:28])(=[O:29])[O:31][13CH3:3])[C@@H:11]([CH2:8][O:32][P:35]([OH:26])(=[O:27])[O:30][13CH3:2])[O:33]1)[CH2:7][OH:24]

Parent-child relations graph

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