Showing Metabocard for 3-oxo-5beta-cholan-24-oate (BASm0000257)
| Common Name | 3-oxo-5beta-cholan-24-oate |
|---|---|
| Description | Not Available |
| Structure | |
| Molecular Formula | C24H37O3 |
| Average Mass | 373.55800 |
| Monoisotopic Mass | 373.27482 |
| 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]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C |
| InChI Identifier | InChI=1S/C24H38O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-16,18-21H,4-14H2,1-3H3,(H,26,27)/p-1/t15-,16-,18+,19-,20+,21+,23+,24-/m1/s1 |
| InChI Key | KIQFUORWRVZTHT-OPTMKGCMSA-M |
| CHEBI ID | CHEBI:11867 |
| HMDB ID | HMDB0240359 |
| 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 |