N-Allyladenosine

Properties Image MNX_ID MNXM1127831 reference chebi:165838 formula C13H17N5O4 global charge 0 mol weight 307.31 InChIKey WTYYPLSFICPDGL-QYVSTXNMSA-N InChI InChI=1S/C13H17N5O4/c1-2-3-14-11-8-12(16-5-15-11)18(6-17-8)13-10(21)9(20)7(4-19)22-13/h2,5-7,9-10,13,19-21H,1,3-4H2,(H,14,15,16)/t7-,9-,10-,13-/m1/s1 SMILES C=CCNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O MNX internals InChI (mnx) InChI=1/C13H17N5O4/c1-2-3-14-11-8-12(16-5-15-11)18(6-17-8)13-10(21)9(20)7(4-19)22-13/h2,5-7,9-10,13,19-21H,1,3-4H2,(H,14,15,16)/t7-,9-,10-,13-/m1/s1 SMILES (mnx) [CH2:1]=[CH:2][CH2:3][NH:14][C:11]1=[C:8]2[C:12](=[N:16][CH:5]=[N:15]1)[N:18]([C@H:13]1[C@H:10]([OH:21])[C@H:9]([OH:20])[C@@H:7]([CH2:4][OH:19])[O:22]1)[CH:6]=[N:17]2

Parent-child relations graph

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