Showing Metabocard for hyocholate 6-O-(beta-D-glucuronate) (BASm0008850)
| Common Name | Hyocholate 6-o-(beta-d-glucuronate) |
|---|---|
| Description | Not Available |
| Structure | |
| Molecular Formula | C30H48O11 |
| Average Mass | 584.70300 |
| Monoisotopic Mass | 584.31966 |
| 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]3[C@H](O)[C@H](O[C@@H]4O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]4O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |
| InChI Identifier | InChI=1S/C30H48O11/c1-13(4-7-19(32)33)15-5-6-16-20-17(9-11-29(15,16)2)30(3)10-8-14(31)12-18(30)25(21(20)34)40-28-24(37)22(35)23(36)26(41-28)27(38)39/h13-18,20-26,28,31,34-37H,4-12H2,1-3H3,(H,32,33)(H,38,39)/t13?,14?,15?,16-,17-,18-,20-,21?,22?,23?,24?,25?,26?,28?,29+,30+/m0/s1 |
| InChI Key | XVNRNIWARCALGY-XIZLWAQMSA-N |
| CHEBI ID | CHEBI:136906 |
| HMDB ID | HMDB0157789 |
| 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 |