| Properties | Image |
|---|
| MNX_ID | MNXM101752 |
 |
| reference | chebi:71336 |
| formula | C18H22N6O11P2 |
| global charge | 0 |
| mol weight | 560.353 |
| InChIKey | ANMCUTJZONROBG-LSCFUAHRSA-N |
| InChI | InChI=1S/C18H22N6O11P2/c1-20-10-5-3-2-4-9(10)18(26)34-14-11(6-32-37(30,31)35-36(27,28)29)33-17(13(14)25)24-8-23-12-15(19)21-7-22-16(12)24/h2-5,7-8,11,13-14,17,20,25H,6H2,1H3,(H,30,31)(H2,19,21,22)(H2,27,28,29)/t11-,13-,14-,17-/m1/s1 |
| SMILES | CNC1=C(C(=O)O[C@H]2[C@@H](O)[C@H](N3C=NC4=C3N=CN=C4N)O[C@@H]2COP(=O)(O)OP(=O)(O)O)C=CC=C1 |
MNX internals
| InChI (mnx) | InChI=1/C18H22N6O11P2/c1-20-10-5-3-2-4-9(10)18(26)34-14-11(6-32-37(30,31)35-36(27,28)29)33-17(13(14)25)24-8-23-12-15(19)21-7-22-16(12)24/h2-5,7-8,11,13-14,17,20,25H,6H2,1H3,(H,30,31)(H2,19,21,22)(H2,27,28,29)/t11-,13-,14-,17-/m1/s1 |
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| SMILES (mnx) | [CH3:1][NH:20][C:10]1=[CH:5][CH:3]=[CH:2][CH:4]=[C:9]1[C:18](=[O:26])[O:34][C@@H:14]1[C@@H:11]([CH2:6][O:32][P:37]([OH:30])(=[O:31])[O:35][P:36]([OH:27])([OH:28])=[O:29])[O:33][C@@H:17]([N:24]2[CH:8]=[N:23][C:12]3=[C:15]([NH2:19])[N:21]=[CH:7][N:22]=[C:16]32)[C@@H:13]1[OH:25] |
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