| Properties | Image |
|---|
| MNX_ID | MNXM98002 |
 |
| reference | metacycM:CPD-14117 |
| formula | C14H23N3O15P2 |
| global charge | -2 |
| mol weight | 535.292 |
| InChIKey | DPJKHFICSGCNIR-GFIXSNHQSA-L |
| InChI | InChI=1S/C14H25N3O15P2/c15-9-1-2-17(14(24)16-9)13-12(23)11(22)8(31-13)5-30-34(27,28)32-33(25,26)29-4-7(20)10(21)6(19)3-18/h1-2,6-8,10-13,18-23H,3-5H2,(H,25,26)(H,27,28)(H2,15,16,24)/p-2/t6-,7-,8-,10-,11-,12-,13-/m1/s1 |
| SMILES | NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@@H](O)[C@H](O)[C@H](O)CO)[C@@H](O)[C@H]2O)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C14H25N3O15P2/c15-9-1-2-17(14(24)16-9)13-12(23)11(22)8(31-13)5-30-34(27,28)32-33(25,26)29-4-7(20)10(21)6(19)3-18/h1-2,6-8,10-13,18-23H,3-5H2,(H,25,26)(H,27,28)(H2,15,16,24)/t6-,7-,8-,10-,11-,12-,13-/m1/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][N:17]([C@H:13]2[C@H:12]([OH:23])[C@H:11]([OH:22])[C@@H:8]([CH2:5][O:30][P:34]([OH:27])(=[O:28])[O:32][P:33]([OH:25])(=[O:26])[O:29][CH2:4][C@H:7]([C@@H:10]([C@@H:6]([CH2:3][OH:18])[OH:19])[OH:21])[OH:20])[O:31]2)[C:14]([OH:24])=[N:16][C:9]1=[NH:15] |
|