| Properties | Image |
|---|
| MNX_ID | MNXM161946 |
 |
| reference | chebi:78374 |
| formula | C10H14N6Na3O13P3 |
| global charge | 0 |
| mol weight | 588.143 |
| InChIKey | QGJNRMUNXAROIT-CYCLDIHTSA-K |
| InChI | InChI=1S/C10H17N6O13P3.3Na/c11-10-13-7-4(8(19)14-10)12-2-16(7)9-6(18)5(17)3(28-9)1-27-32(25,26)29-31(23,24)15-30(20,21)22;;;/h2-3,5-6,9,17-18H,1H2,(H,25,26)(H3,11,13,14,19)(H4,15,20,21,22,23,24);;;/q;3*+1/p-3/t3-,5-,6-,9-;;;/m1.../s1 |
| SMILES | NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])NP(=O)([O-])[O-])[C@@H](O)[C@H]2O)C(=O)N1.[H+].[Na+].[Na+].[Na+] |
MNX internals
| InChI (mnx) | InChI=1/C10H17N6O13P3.3Na/c11-10-13-7-4(8(19)14-10)12-2-16(7)9-6(18)5(17)3(28-9)1-27-32(25,26)29-31(23,24)15-30(20,21)22;;;/h2-3,5-6,9,17-18H,1H2,(H,25,26)(H3,11,13,14,19)(H4,15,20,21,22,23,24);;;/q;3*+1/t3-,5-,6-,9-;;;/m1.../s1 |
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| SMILES (mnx) | [CH2:1]([C@@H:3]1[C@@H:5]([OH:17])[C@@H:6]([OH:18])[C@H:9]([N:16]2[CH:2]=[N:12][C:4]3=[C:7]2[NH:13][C:10](=[NH:11])[N:14]=[C:8]3[OH:19])[O:28]1)[O:27][P:32]([OH:25])(=[O:26])[O:29][P:31]([NH:15][P:30](=[O:20])([OH:21])[OH:22])(=[O:23])[OH:24].[Na+:33].[Na+:34].[Na+:35] |
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