| Properties | Image |
|---|
| MNX_ID | MNXM38144 |
 |
| reference | chebi:137234 |
| formula | C9H16N3O15P3 |
| global charge | 0 |
| mol weight | 499.155 |
| InChIKey | DMFODUNDODUQKK-UAKXSSHOSA-N |
| InChI | InChI=1S/C9H16N3O15P3/c10-7-3(13)1-12(9(16)11-7)8-6(15)5(14)4(25-8)2-24-29(20,21)27-30(22,23)26-28(17,18)19/h1,4-6,8,13-15H,2H2,(H,20,21)(H,22,23)(H2,10,11,16)(H2,17,18,19)/t4-,5-,6-,8-/m1/s1 |
| SMILES | NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)C=C1O |
MNX internals
| InChI (mnx) | InChI=1/C9H16N3O15P3/c10-7-3(13)1-12(9(16)11-7)8-6(15)5(14)4(25-8)2-24-29(20,21)27-30(22,23)26-28(17,18)19/h1,4-6,8,13-15H,2H2,(H,20,21)(H,22,23)(H2,10,11,16)(H2,17,18,19)/t4-,5-,6-,8-/m1/s1 |
 |
| SMILES (mnx) | [CH:1]1=[C:3]([OH:13])[C:7](=[NH:10])[N:11]=[C:9]([OH:16])[N:12]1[C@H:8]1[C@H:6]([OH:15])[C@H:5]([OH:14])[C@@H:4]([CH2:2][O:24][P:29]([OH:20])(=[O:21])[O:27][P:30]([OH:22])(=[O:23])[O:26][P:28]([OH:17])([OH:18])=[O:19])[O:25]1 |
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