5'-chloro-5'-deoxyadenosine

Properties Image MNX_ID MNXM4378 reference chebi:47133 formula C10H12ClN5O3 global charge 0 mol weight 285.691 InChIKey IYSNPOMTKFZDHZ-KQYNXXCUSA-N InChI InChI=1S/C10H12ClN5O3/c11-1-4-6(17)7(18)10(19-4)16-3-15-5-8(12)13-2-14-9(5)16/h2-4,6-7,10,17-18H,1H2,(H2,12,13,14)/t4-,6-,7-,10-/m1/s1 SMILES NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CCl)[C@@H](O)[C@H]1O MNX internals InChI (mnx) InChI=1/C10H12ClN5O3/c11-1-4-6(17)7(18)10(19-4)16-3-15-5-8(12)13-2-14-9(5)16/h2-4,6-7,10,17-18H,1H2,(H2,12,13,14)/t4-,6-,7-,10-/m1/s1 SMILES (mnx) [CH2:1]([C@@H:4]1[C@@H:6]([OH:17])[C@@H:7]([OH:18])[C@H:10]([N:16]2[CH:3]=[N:15][C:5]3=[C:8]([NH2:12])[N:13]=[CH:2][N:14]=[C:9]32)[O:19]1)[Cl:11]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0