| Properties | Image | Occurences in reactions |
MNX_ID | MNXM126546 |
|
| #reac |
in my sandbox |
0 |
in MNXref (generic) | 0 |
in models (compartimentalized) |
0 |
|
formula | C40H74Ca2N4O21 |
charge | 0 |
mass | 1026.40974 |
reference | keggD:D03255 |
InChIKey | NNHRASUFFPCRBJ-MIOUZRKOSA-J |
InChI | InChI=1S/4C10H19NO5.2Ca.H2O/c4*1-10(2,6-12)8(15)9(16)11-5-3-4-7(13)14;;;/h4*8,12,15H,3-6H2,1-2H3,(H,11,16)(H,13,14);;;1H2/q;;;;2*+2;/p-4/t4*8-;;;/m0000.../s1 |
SMILES | CC(C)(CO)[C@@H](O)C(=O)NCCCC(=O)[O-].CC(C)(CO)[C@@H](O)C(=O)NCCCC(=O)[O-].CC(C)(CO)[C@@H](O)C(=O)NCCCC(=O)[O-].CC(C)(CO)[C@@H](O)C(=O)NCCCC(=O)[O-].O.[Ca+2].[Ca+2] |
|