| Properties | Image | Occurences in reactions |
MNX_ID | MNXM103763 |
|
| #reac |
in my sandbox |
0 |
in MNXref (generic) | 0 |
in models (compartimentalized) |
0 |
|
formula | C62H80CaCl8N10O30 |
charge | 0 |
mass | 1764.21759 |
reference | keggD:D03461 |
InChIKey | SUYLZQWKVLPUSE-XHPTVIJISA-L |
InChI | InChI=1S/4C11H12Cl2N2O5.2C9H17NO5.Ca/c4*12-10(13)11(18)14-8(5-16)9(17)6-1-3-7(4-2-6)15(19)20;2*1-9(2,5-11)7(14)8(15)10-4-3-6(12)13;/h4*1-4,8-10,16-17H,5H2,(H,14,18);2*7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13);/q;;;;;;+2/p-2/t;;;;2*7-;/m....00./s1 |
SMILES | CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)[O-].CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)[O-].O=C(NC(CO)C(O)c1ccc([N+](=O)[O-])cc1)C(Cl)Cl.O=C(NC(CO)C(O)c1ccc([N+](=O)[O-])cc1)C(Cl)Cl.O=C(NC(CO)C(O)c1ccc([N+](=O)[O-])cc1)C(Cl)Cl.O=C(NC(CO)C(O)c1ccc([N+](=O)[O-])cc1)C(Cl)Cl.[Ca+2] |
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