| Properties | Image | Occurences in reactions |
MNX_ID | MNXM1364072 |
|
| #reac |
in my sandbox |
0 |
in MNXref (generic) | 1 |
in models (compartimentalized) |
1 |
|
formula | C13H19N4O6 |
charge | -1 |
mass | 327.317 |
reference | chebi:143224 |
InChIKey | WLNNYKMTYVPSDL-IVNRZZHDSA-M |
InChI | InChI=1S/C13H20N4O6/c1-7(11(18)19)17-9(12(20)21)2-3-15-10(13(22)23)4-8-5-14-6-16-8/h5-7,9-10,15,17H,2-4H2,1H3,(H,14,16)(H,18,19)(H,20,21)(H,22,23)/p-1/t7?,9-,10-/m0/s1 |
SMILES | [CH3:1][CH:7]([C:11](=[O:18])[OH:19])[NH:17][C@@H:9]([CH2:2][CH2:3][NH:15][C@@H:10]([CH2:4][c:8]1[cH:5][n:14][cH:6][nH:16]1)[C:13](=[O:22])[OH:23])[C:12](=[O:20])[OH:21] |
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