| Properties | Image |
| MNX_ID | MNXM158188 |
 |
| reference | chebi:74736 |
| formula | C11H16N5O7P |
| global charge | 0 |
| mol weight | 361.251 |
| InChIKey | BKBYKEWNXKDACS-IOSLPCCCSA-N |
| InChI | InChI=1S/C11H16N5O7P/c1-15-3-14-10-6(9(15)12)13-4-16(10)11-8(18)7(17)5(23-11)2-22-24(19,20)21/h3-5,7-8,11-12,17-18H,2H2,1H3,(H2,19,20,21)/t5-,7-,8-,11-/m1/s1 |
| SMILES | CN1C=NC2=C(N=CN2[C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)C1=N |
MNX internals
| InChI (mnx) | InChI=1/C11H16N5O7P/c1-15-3-14-10-6(9(15)12)13-4-16(10)11-8(18)7(17)5(23-11)2-22-24(19,20)21/h3-5,7-8,11-12,17-18H,2H2,1H3,(H2,19,20,21)/b12-9?/t5-,7-,8-,11-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][N:15]1[CH:3]=[N:14][C:10]2=[C:6]([C:9]1=[NH:12])[N:13]=[CH:4][N:16]2[C@H:11]1[C@H:8]([OH:18])[C@H:7]([OH:17])[C@@H:5]([CH2:2][O:22][P:24]([OH:19])([OH:20])=[O:21])[O:23]1 |
|