| Properties | Image |
|---|
| MNX_ID | MNXM40291 |
 |
| reference | keggD:D02300 |
| formula | C10H20N5Na2O16P3 |
| global charge | 0 |
| mol weight | 605.191 |
| InChIKey | MWEQTWJABOLLOS-AZGWGOJFSA-L |
| InChI | InChI=1S/C10H16N5O13P3.2Na.3H2O/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);;;3*1H2/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[Na])O[Na])[C@@H](O)[C@H]1O.O.O.O |
MNX internals
| InChI (mnx) | InChI=1/C10H16N5O13P3.2Na.3H2O/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);;;3*1H2/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].[OH2:34].[OH2:35].[OH2:36] |
|