3-Alpha-Hydroxy-7-Keto-5Beta-Cholanic Acid 3-α-羟基-7-氧代-5β-胆烷酸
CAS 4651-67-6 MFCD00271393
化学结构图
SMILES: C[C@@H](CCC(=O)O)[C@@H]1CC[C@@H]2[C@H]3C(=O)C[C@H]4C[C@@H](O)CC[C@@]4(C)[C@@H]3CC[C@@]12C
化学属性
| Mol. Formula | C24H38O4 |
|---|---|
| Mol. Weight | 390.56 |
| Melting Point | 208-211°C |
| Density | |
| Boiling Point | 545.9±25.0°C at 760 mmHg |
别名和识别编码
| Chemical Name | 3-Alpha-Hydroxy-7-Keto-5Beta-Cholanic Acid |
|---|---|
| MDL Number | MFCD00271393 |
| CAS Number | 4651-67-6 |
| Reaxys-RN | 3222783 |
| PubChem Substance ID | 87571226 |
| Chemical Name Translation | 3-α-羟基-7-氧代-5β-胆烷酸 |
| Synonym | 7-Ketolithocholic acid {LY} 7-Ketolithocholic acid 7-Ketolithocholic acid (Ursodeoxycholic Acid Impurity) {} {LY} 7-Ketolithocholic acid {} {} {LY} 7-Ketolithocholic acid {} {} {} {LY} 7-Ketolithocholic acid |
| EC Number | |
| Beilstein Registry Number | 3222783 |
| LabNetwork Molecule ID | LN00202021 |
| Canonical SMILES | C[C@H](CCC(O)=O)[C@H]1CC[C@@]2([H])[C@]3([H])C(C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)=O |
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相关文献及参考
- [2]. Salen G, et al. Effect of 7-ketolithocholic acid on bile acid metabolism in humans. Gastroenterology. 1982 Aug;83(2):341-7.
- [1]. Choucair I, et al. Quantification of bile acids: a mass spectrometry platform for studying gut microbe connectionto metabolic diseases. J Lipid Res. 2020 Feb;61(2):159-177.
- [1]. Choucair I, et al. Quantification of bile acids: a mass spectrometry platform for studying gut microbe connectionto metabolic diseases. J Lipid Res. 2020 Feb;61(2):159-177.
- [2]. Salen G, et al. Effect of 7-ketolithocholic acid on bile acid metabolism in humans. Gastroenterology. 1982 Aug;83(2):341-7.
安全信息
GHS Symbol
