Showing Metabocard for lithocholoyl-3-O-(beta-D-glucuronate) (BASm0008865)
| Common Name | Lithocholoyl-3-o-(beta-d-glucuronate) |
|---|---|
| Description | Not Available |
| Structure | |
| Molecular Formula | C30H48O9 |
| Average Mass | 552.70500 |
| Monoisotopic Mass | 552.32983 |
| IUPAC Name | Not Available |
| Traditional Name | Not Available |
| CAS Registry Number | Not Available |
| SMILES | C[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O[C@@H]5O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C |
| InChI Identifier | InChI=1S/C30H48O9/c1-15(4-9-22(31)32)19-7-8-20-18-6-5-16-14-17(10-12-29(16,2)21(18)11-13-30(19,20)3)38-28-25(35)23(33)24(34)26(39-28)27(36)37/h15-21,23-26,28,33-35H,4-14H2,1-3H3,(H,31,32)(H,36,37) |
| InChI Key | GIQXKAXWRLHLDD-UHFFFAOYSA-N |
| CHEBI ID | CHEBI:136965 |
| HMDB ID | HMDB0254126 |
| 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 | Not Available |
| Polarizability | Not Available |