Showing Metabocard for limonoate (BASm0002944)
| Common Name | Limonoate |
|---|---|
| Description | The dicarboxylate anion of limonoic acid; major species at pH 7.3. |
| Structure | |
| Molecular Formula | C26H32O10 |
| Average Mass | 504.52630 |
| Monoisotopic Mass | Not Available |
| IUPAC Name | Not Available |
| Traditional Name | Not Available |
| CAS Registry Number | Not Available |
| SMILES | CC1(C)O[C@@H](CC(=O)[O-])[C@]2(CO)[C@H]3CC[C@@](C)([C@@H](O)c4ccoc4)[C@@]4(O[C@@H]4C(=O)[O-])[C@]3(C)C(=O)C[C@@H]12 |
| InChI Identifier | InChI=1S/C26H34O10/c1-22(2)15-9-16(28)24(4)14(25(15,12-27)17(35-22)10-18(29)30)5-7-23(3,19(31)13-6-8-34-11-13)26(24)20(36-26)21(32)33/h6,8,11,14-15,17,19-20,27,31H,5,7,9-10,12H2,1-4H3,(H,29,30)(H,32,33)/p-2/t14-,15-,17-,19-,20+,23-,24-,25+,26+/m0/s1 |
| InChI Key | WOJQWDNWUNSRTA-MSGMIQHVSA-L |
| CHEBI ID | CHEBI:57763 |
| State | Not Available |
| Water Solubility | Not Available |
| logS | Not Available |
| pKa (Strongest Acidic) | Not Available |
| pKa (Strongest Basic) | Not Available |
| Hydrogen Acceptor Count | Not Available |
| Hydrogen Donor Count | Not Available |
| Rotatable Bond Count | Not Available |
| Physiological Charge | Not Available |
| Formal Charge | -2 |
| Polarizability | Not Available |