Introduction：Basic information about CAS 2304-89-4|3-Oxocholic acid, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 3-Oxocholic acid |
|---|
| CAS Number | 2304-89-4 | Molecular Weight | 406.55600 |
|---|
| Density | 1.180±0.06g/ml(Predicted) | Boiling Point | 583.0±50.0℃(Predicted) |
|---|
| Molecular Formula | C24H38O5 | Melting Point | 185℃ |
|---|
| MSDS | / | Flash Point | / |
|---|
Names
| Name | 7α,12α-dihydroxy-3-oxo-5β-cholan-24-oic acid methylester |
|---|
| Synonym | More Synonyms |
|---|
3-Oxocholic acid BiologicalActivity
| Description | 3-Oxocholic acid is an oxo-bile acid metabolite and also a major degradation product from cholic by C. perfringens in the intestine. 3-Oxocholic acid is steroid acid found predominantly in bile of mammals[1][2][3]. |
|---|
| Related Catalog | Research Areas >>Metabolic Disease |
|---|
| In Vivo | Male Goto-Kakizaki (GK) rats rats are subjected to Ileal transposition (IT) surgery. In the metabolomics analysis, compared with Sham-IT rats, 3-Oxocholic acid of IT rats is increased[2]. |
|---|
| References | [1]. Macdonald I, et al. Identification of 7alpha-, 12alpha-dihydroxy-3-oxo cholanoic acid as the major degradation product from cholic by C. perfringens. J Steroid Biochem. 1978 Apr;9(4):353-8. [2]. Yan K, et al. The Changes of Serum Metabolites in Diabetic GK Rats after Ileal Transposition Surgery. Obes Surg. 2019 Mar;29(3):882-890. [3]. Wahlström A, et al. Intestinal Crosstalk between Bile Acids and Microbiota and Its Impact on Host Metabolism. Cell Metab. 2016 Jul 12;24(1):41-50. |
|---|
Chemical & Physical Properties
| Density | 1.180±0.06g/ml(Predicted) |
|---|
| Boiling Point | 583.0±50.0℃(Predicted) |
|---|
| Melting Point | 185℃ |
|---|
| Molecular Formula | C24H38O5 |
|---|
| Molecular Weight | 406.55600 |
|---|
| Exact Mass | 406.27200 |
|---|
| PSA | 94.83000 |
|---|
| LogP | 3.65690 |
|---|
| Vapour Pressure | 5.08E-16mmHg at 25°C |
|---|
| InChIKey | OEKUSRBIIZNLHZ-DJDNIQJZSA-N |
|---|
| SMILES | CC(CCC(=O)O)C1CCC2C3C(O)CC4CC(=O)CCC4(C)C3CC(O)C12C |
|---|
Synonyms
| 3-OXO DEOXYCHOLIC ACID |
| 3-Oxo-7Alpha,12Alpha-hydroxy-5Beta-cholanoic Acid |
| 7Alpha,12Alpha-dihydroxy-3-oxo-5Beta-cholan-24-oic acid |
| 3-Keto-7alpha,12alpha-dihydroxy-5alpha-cholanic acid |
| 3-Oxo-7α,12α-hydroxy-5β-cholanoic Acid |
| 3-Oxo-7a,12a-dihydroxy-5b-cholanic acid |
