adenosine triphosphate disodium

Properties Image MNX_ID MNXM151807 reference chebi:50732 formula C10H14N5Na2O13P3 global charge 0 mol weight 551.146 InChIKey TTWYZDPBDWHJOR-IDIVVRGQSA-L InChI InChI=1S/C10H16N5O13P3.2Na/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20;;/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20);;/q;2*+1/p-2/t4-,6-,7-,10-;;/m1../s1 SMILES NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)([O-])[O-])[C@@H](O)[C@H]1O.[Na+].[Na+] MNX internals InChI (mnx) InChI=1/C10H16N5O13P3.2Na/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20;;/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20);;/q;2*+1/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:26]1)[O:25][P:30]([OH:21])(=[O:22])[O:28][P:31]([OH:23])(=[O:24])[O:27][P:29]([OH:18])([OH:19])=[O:20].[Na+:32].[Na+:33]

Parent-child relations graph

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