| Properties | Image |
|---|
| MNX_ID | MNXM164943 |
 |
| reference | metacycM:CPD-18587 |
| formula | C16H22N6O11P2 |
| global charge | -2 |
| mol weight | 536.331 |
| InChIKey | MRUAZLYBBXUWJU-OPYVMVOTSA-L |
| InChI | InChI=1S/C16H24N6O11P2/c1-7(23)21-8(2-3-34(27)28)16(26)33-35(29,30)31-4-9-11(24)12(25)15(32-9)22-6-20-10-13(17)18-5-19-14(10)22/h5-6,8-9,11-12,15,24-25,34H,2-4H2,1H3,(H,21,23)(H,27,28)(H,29,30)(H2,17,18,19)/p-2/t8-,9+,11+,12+,15+/m0/s1 |
| SMILES | CC(=O)N[C@@H](CC[PH](=O)[O-])C(=O)OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C16H24N6O11P2/c1-7(23)21-8(2-3-34(27)28)16(26)33-35(29,30)31-4-9-11(24)12(25)15(32-9)22-6-20-10-13(17)18-5-19-14(10)22/h5-6,8-9,11-12,15,24-25,34H,2-4H2,1H3,(H,21,23)(H,27,28)(H,29,30)(H2,17,18,19)/t8-,9+,11+,12+,15+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:7](=[N:21][C@@H:8]([CH2:2][CH2:3][PH:34]([OH:27])=[O:28])[C:16](=[O:26])[O:33][P:35]([OH:29])(=[O:30])[O:31][CH2:4][C@@H:9]1[C@@H:11]([OH:24])[C@@H:12]([OH:25])[C@H:15]([N:22]2[CH:6]=[N:20][C:10]3=[C:13]([NH2:17])[N:18]=[CH:5][N:19]=[C:14]32)[O:32]1)[OH:23] |
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