| Properties | Image | with InChI numbering | Occurences in reactions |
|---|
| MNX_ID | MNXM1373359 |
 |
 |
| #reac |
|---|
| in my sandbox |
0 |
| in MNXref (generic) | 4 |
| in models (compartimentalized) |
0 |
|
| formula | C16H26N3O14P2 |
| charge | -1 |
| mass | 546.337 |
| reference | metacycM:CPD-13781 |
| InChIKey | KVYJLJOGNUNRJK-UHFFFAOYSA-M |
| InChI | InChI=1S/C16H27N3O14P2/c1-6-4-19(16(24)18-14(6)23)10-3-8(20)9(31-10)5-29-34(25,26)33-35(27,28)32-15-13(22)11(17)12(21)7(2)30-15/h4,7-13,15,20-22H,3,5,17H2,1-2H3,(H,25,26)(H,27,28)(H,18,23,24)/p-1 |
| SMILES | [CH3:1][c:6]1[cH:4][n:19]([CH:10]2[CH2:3][CH:8]([OH:20])[CH:9]([CH2:5][O:29][P:34]([OH:25])(=[O:26])[O:33][P:35]([OH:27])(=[O:28])[O:32][CH:15]3[CH:13]([OH:22])[CH:11]([NH2:17])[CH:12]([OH:21])[CH:7]([CH3:2])[O:30]3)[O:31]2)[c:16](=[O:24])[n:18][c:14]1[OH:23] |
|
