| Properties | Image | Occurences in reactions |
|---|
| MNX_ID | MNXM1371687 | 
|
| #reac |
|---|
| in my sandbox |
0 |
| in MNXref (generic) | 0 |
| in models (compartimentalized) |
0 |
|
| formula | C20H33N5Na2O13 |
| charge | 0 |
| mass | 597.484 |
| reference | keggD:D06503 |
| InChIKey | QJVSMHJWAOSBMD-MYXYZBIASA-L |
| InChI | InChI=1S/C20H21N5O6.2Na.7H2O/c21-20-24-16-15(18(29)25-20)12(9-22-16)6-3-10-1-4-11(5-2-10)17(28)23-13(19(30)31)7-8-14(26)27;;;;;;;;;/h1-2,4-5,9,13H,3,6-8H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29);;;7*1H2/q;2*+1;;;;;;;/p-2/t13-;;;;;;;;;/m0........./s1 |
| SMILES | [Na+:32].[Na+:33].[OH2:34].[OH2:35].[OH2:36].[OH2:37].[OH2:38].[OH2:39].[OH2:40].[cH:1]1[cH:4][c:11]([C:17]([NH:23][C@@H:13]([CH2:7][CH2:8][C:14](=[O:26])[OH:27])[C:19](=[O:30])[OH:31])=[O:28])[cH:5][cH:2][c:10]1[CH2:3][CH2:6][c:12]1[cH:9][nH:22][c:16]2[c:15]1[c:18]([OH:29])[n:25][c:20](=[NH:21])[nH:24]2 |
|
