Adenosine 5-O-(3-thiodiphophate)

Properties Image MNX_ID MNXM735490 reference keggC:C13743 formula C10H15N5O9P2S global charge 0 mol weight 443.271 InChIKey HCIKUKNAJRJFOW-KQYNXXCUSA-N InChI InChI=1S/C10H15N5O9P2S/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(23-10)1-22-25(18,19)24-26(20,21)27/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H2,11,12,13)(H2,20,21,27)/t4-,6-,7-,10-/m1/s1 SMILES NC1=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)S)[C@@H](O)[C@H]3O)C2=NC=N1 MNX internals InChI (mnx) InChI=1/C10H15N5O9P2S/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(23-10)1-22-25(18,19)24-26(20,21)27/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H2,11,12,13)(H2,20,21,27)/t4-,6-,7-,10-/m1/s1 SMILES (mnx) [CH2:1]([C@@H:4]1[C@@H:6]([OH:16])[C@@H:7]([OH:17])[C@H:10]([N:15]2[CH:3]=[N:14][C:5]3=[C:8]([NH2:11])[N:12]=[CH:2][N:13]=[C:9]32)[O:23]1)[O:22][P:25]([OH:18])(=[O:19])[O:24][P:26]([OH:20])([OH:21])=[S:27]

Parent-child relations graph

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