| Properties | Image |
|---|
| MNX_ID | MNXM1108405 |
 |
| reference | chebi:44264 |
| formula | C21H26N7O15P2 |
| global charge | -1 |
| mol weight | 678.421 |
| InChIKey | NCFRZZVNRVEQJK-NAJQWHGHSA-M |
| InChI | InChI=1S/C21H27N7O15P2/c22-16(33)8-2-1-3-27(4-8)19-14(31)12(29)9(41-19)5-39-44(35,36)43-45(37,38)40-6-10-13(30)15(32)20(42-10)28-7-24-11-17(28)25-21(23)26-18(11)34/h1-4,7,9-10,12-15,19-20,29-32H,5-6H2,(H6-,22,23,25,26,33,34,35,36,37,38)/p-1/t9-,10-,12-,13-,14-,15-,19-,20-/m1/s1 |
| SMILES | NC(=O)C1=CC=C[N+]([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@@H](N4C=NC5=C4N=C(N)NC5=O)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)=C1 |
MNX internals
| InChI (mnx) | InChI=1/C21H27N7O15P2/c22-16(33)8-2-1-3-27(4-8)19-14(31)12(29)9(41-19)5-39-44(35,36)43-45(37,38)40-6-10-13(30)15(32)20(42-10)28-7-24-11-17(28)25-21(23)26-18(11)34/h1-4,7,9-10,12-15,19-20,29-32H,5-6H2,(H6-,22,23,25,26,33,34,35,36,37,38)/t9-,10-,12-,13-,14-,15-,19-,20-/m1/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][C:8]([C:16](=[NH:22])[OH:33])=[CH:4][N+:27]([C@H:19]2[C@H:14]([OH:31])[C@H:12]([OH:29])[C@@H:9]([CH2:5][O:39][P:44](=[O:35])([OH:36])[O:43][P:45](=[O:37])([O-:38])[O:40][CH2:6][C@@H:10]3[C@@H:13]([OH:30])[C@@H:15]([OH:32])[C@H:20]([N:28]4[CH:7]=[N:24][C:11]5=[C:17]4[NH:25][C:21](=[NH:23])[N:26]=[C:18]5[OH:34])[O:42]3)[O:41]2)=[CH:3]1 |
|