| Properties | Image |
|---|
| MNX_ID | MNXM166124 |
 |
| reference | metacycM:CPD-18767 |
| formula | C17H18N6O9P |
| global charge | -1 |
| mol weight | 481.338 |
| InChIKey | RAKNJTPSSKGACV-XNIJJKJLSA-M |
| InChI | InChI=1S/C17H19N6O9P/c18-8-3-7(1-2-9(8)24)17(27)32-33(28,29)30-4-10-12(25)13(26)16(31-10)23-6-22-11-14(19)20-5-21-15(11)23/h1-3,5-6,10,12-13,16,24-26H,4,18H2,(H,28,29)(H2,19,20,21)/p-1/t10-,12-,13-,16-/m1/s1 |
| SMILES | NC1=CC(C(=O)OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C3N=CN=C4N)[C@H](O)[C@@H]2O)=CC=C1O |
MNX internals
| InChI (mnx) | InChI=1/C17H19N6O9P/c18-8-3-7(1-2-9(8)24)17(27)32-33(28,29)30-4-10-12(25)13(26)16(31-10)23-6-22-11-14(19)20-5-21-15(11)23/h1-3,5-6,10,12-13,16,24-26H,4,18H2,(H,28,29)(H2,19,20,21)/t10-,12-,13-,16-/m1/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][C:9]([OH:24])=[C:8]([NH2:18])[CH:3]=[C:7]1[C:17](=[O:27])[O:32][P:33]([OH:28])(=[O:29])[O:30][CH2:4][C@@H:10]1[C@@H:12]([OH:25])[C@@H:13]([OH:26])[C@H:16]([N:23]2[CH:6]=[N:22][C:11]3=[C:14]([NH2:19])[N:20]=[CH:5][N:21]=[C:15]32)[O:31]1 |
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