| Properties | Image |
|---|
| MNX_ID | MNXM1104246 |
 |
| reference | keggC:C00269 |
| formula | C14H19N3O15P2*2 |
| global charge | 0 |
| mol weight | |
| InChIKey | |
| InChI | |
| SMILES | [*]C(=O)OC[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O)OC([*])=O |
MNX internals
| InChI (mnx) | InChI=1/C16H25N3O15P2/c1-8(20)29-5-10(32-9(2)21)6-30-35(25,26)34-36(27,28)31-7-11-13(22)14(23)15(33-11)19-4-3-12(17)18-16(19)24/h3-4,10-11,13-15,22-23H,5-7H2,1-2H3,(H,25,26)(H,27,28)(H2,17,18,24)/t10-,11-,13-,14-,15-/m1/s1/i1+1,2+1 |
 |
| SMILES (mnx) | [13CH3:1][C:8](=[O:20])[O:29][CH2:5][C@H:10]([CH2:6][O:30][P:35]([OH:25])(=[O:26])[O:34][P:36]([OH:27])(=[O:28])[O:31][CH2:7][C@@H:11]1[C@@H:13]([OH:22])[C@@H:14]([OH:23])[C@H:15]([N:19]2[CH:4]=[CH:3][C:12](=[NH:17])[N:18]=[C:16]2[OH:24])[O:33]1)[O:32][C:9]([13CH3:2])=[O:21] |
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