| Properties | Image |
|---|
| MNX_ID | MNXM51694 |
 |
| reference | chebi:10534 |
| formula | C10H14N4O11P2 |
| global charge | 0 |
| mol weight | 428.187 |
| InChIKey | ALCPNMZQIUFCEL-KVQBGUIXSA-N |
| InChI | InChI=1S/C10H14N4O11P2/c15-4-1-6(14-3-11-7-8(14)12-10(17)13-9(7)16)24-5(4)2-23-27(21,22)25-26(18,19)20/h3-6,15H,1-2H2,(H,21,22)(H2,18,19,20)(H2,12,13,16,17)/t4-,5+,6+/m0/s1 |
| SMILES | O=C1NC(=O)C2=C(N1)N([C@H]1C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O)O1)C=N2 |
MNX internals
| InChI (mnx) | InChI=1/C10H14N4O11P2/c15-4-1-6(14-3-11-7-8(14)12-10(17)13-9(7)16)24-5(4)2-23-27(21,22)25-26(18,19)20/h3-6,15H,1-2H2,(H,21,22)(H2,18,19,20)(H2,12,13,16,17)/t4-,5+,6+/m0/s1 |
 |
| SMILES (mnx) | [CH2:1]1[C@H:4]([OH:15])[C@@H:5]([CH2:2][O:23][P:27]([OH:21])(=[O:22])[O:25][P:26]([OH:18])([OH:19])=[O:20])[O:24][C@H:6]1[N:14]1[CH:3]=[N:11][C:7]2=[C:8]1[N:12]=[C:10]([OH:17])[N:13]=[C:9]2[OH:16] |
|