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

Properties Image MNX_ID MNXM1133130 reference keggC:C22324 formula C26H40N5O20P3S*2 global charge 0 mol weight   InChIKey   InChI   SMILES [*][C@@H]1O[C@H](COP(=O)(O)O[C@H]2[C@@H](O)[C@H](N3C=NC4=C(NC/C=C(/C)CO)N=C(SC)N=C43)O[C@@H]2COP(=O)(O)O[C@H]2[C@@H](O)[C@H]([*])O[C@@H]2COP(=O)(O)O)[C@@H](O)[C@H]1O MNX internals InChI (mnx) InChI=1/C28H46N5O20P3S/c1-12(7-34)5-6-29-25-18-26(32-28(31-25)57-4)33(11-30-18)27-22(38)24(53-55(42,43)47-8-15-21(37)19(35)13(2)49-15)17(51-27)10-48-56(44,45)52-23-16(9-46-54(39,40)41)50-14(3)20(23)36/h5,11,13-17,19-24,27,34-38H,6-10H2,1-4H3,(H,42,43)(H,44,45)(H,29,31,32)(H2,39,40,41)/b12-5-/t13-,14-,15+,16+,17+,19-,20-,21+,22+,23+,24+,27+/m0/s1/i2+1,3+1 SMILES (mnx) [CH3:1]/[C:12](=[CH:5]/[CH2:6][NH:29][C:25]1=[N:31][C:28]([S:57][CH3:4])=[N:32][C:26]2=[C:18]1[N:30]=[CH:11][N:33]2[C@H:27]1[C@H:22]([OH:38])[C@H:24]([O:53][P:55]([OH:42])(=[O:43])[O:47][CH2:8][C@@H:15]2[C@@H:21]([OH:37])[C@@H:19]([OH:35])[C@H:13]([13CH3:2])[O:49]2)[C@@H:17]([CH2:10][O:48][P:56]([OH:44])(=[O:45])[O:52][C@@H:23]2[C@@H:16]([CH2:9][O:46][P:54]([OH:39])([OH:40])=[O:41])[O:50][C@@H:14]([13CH3:3])[C@@H:20]2[OH:36])[O:51]1)[CH2:7][OH:34]

Parent-child relations graph

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