| Properties | Image | Occurences in reactions |
MNX_ID | MNXM103445 |
|
| #reac |
in my sandbox |
0 |
in MNXref (generic) | 0 |
in models (compartimentalized) |
0 |
|
formula | C16H28CaN5NaO9 |
charge | 0 |
mass | 497.14106 |
reference | keggD:D03316 |
InChIKey | FHOBFNOBIIQSOV-UHFFFAOYSA-K |
InChI | InChI=1S/C16H29N5O8.Ca.Na.H2O/c1-17-12(22)7-20(10-15(26)27)5-3-19(9-14(24)25)4-6-21(11-16(28)29)8-13(23)18-2;;;/h3-11H2,1-2H3,(H,17,22)(H,18,23)(H,24,25)(H,26,27)(H,28,29);;;1H2/q;+2;+1;/p-3 |
SMILES | CNC(=O)CN(CCN(CCN(CC(=O)[O-])CC(=O)NC)CC(=O)[O-])CC(=O)[O-].O.[Ca+2].[Na+] |
|