5'-Deoxy-5'-methylthio-3-deazaadenosine

Properties Image MNX_ID MNXM164326 reference sabiorkM:28250 formula C12H16N4O3S global charge 0 mol weight 296.352 InChIKey RMTSYBYCOARJOP-UGKPPGOTSA-N InChI InChI=1S/C12H16N4O3S/c1-20-4-7-9(17)10(18)12(19-7)16-5-15-8-6(16)2-3-14-11(8)13/h2-3,5,7,9-10,12,17-18H,4H2,1H3,(H2,13,14)/t7-,9-,10-,12-/m1/s1 SMILES CSC[C@H]1O[C@@H](N2C=NC3=C2C=CNC3=N)[C@H](O)[C@@H]1O MNX internals InChI (mnx) InChI=1/C12H16N4O3S/c1-20-4-7-9(17)10(18)12(19-7)16-5-15-8-6(16)2-3-14-11(8)13/h2-3,5,7,9-10,12,17-18H,4H2,1H3,(H2,13,14)/t7-,9-,10-,12-/m1/s1 SMILES (mnx) [CH3:1][S:20][CH2:4][C@@H:7]1[C@@H:9]([OH:17])[C@@H:10]([OH:18])[C@H:12]([N:16]2[CH:5]=[N:15][C:8]3=[C:6]2[CH:2]=[CH:3][NH:14][C:11]3=[NH:13])[O:19]1

Parent-child relations graph

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