12-Ketodeoxycholic Acid (R)-4-(((3R,5R,8R,9S,10S,13R,14S,17R))-3-羟基-10,13-二甲基-12-氧十六烷-1H-环戊[a]菲蒽-17-基戊酸
CAS 5130-29-0 MFCD05130290
化学结构图
SMILES: C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC(=O)[C@@]21C
化学属性
| Mol. Formula | C24H38O4 |
|---|---|
| Mol. Weight | 390.56 |
| Melting Point | 165-167°C |
别名和识别编码
| Chemical Name | 12-Ketodeoxycholic Acid |
|---|---|
| Chemicalbook ID | CB51235330 |
| PubChem Substance ID | 3080612 |
| InChI | InChI=1S/C24H38O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-20,25H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,17+,18-,19+,20+,23+,24-/m1/s1 |
| CAS Number | 5130-29-0 |
| Synonym | 12-Ketodeoxycholic acid {LY} 12-Ketodeoxycholic acid {} {LY} 12-Ketodeoxycholic acid {} {} {LY} 12-Ketodeoxycholic acid {} {} {} {LY} 12-Ketodeoxycholic acid {} {} {} {} {LY} 12-Ketodeoxycholic acid {} {} {} {} {} {LY} 12-Ketodeoxycholic acid {} {} {} {} {} {} {LY} 12-Ketodeoxycholic acid {} {} {} {} {} {} {} {LY} 12-Ketodeoxycholic acid {} {} {} {} {} {} {} {} {LY} 12-Ketodeoxycholic acid {} {} {} {} {} {} {} {} {} {LY} 12-Ketodeoxycholic acid {} {} {} {} {} {} {} {} {} {} {LY} 12-Ketodeoxycholic acid {} {} {} {} {} {} {} {} {} {} {} {LY} 12-Ketodeoxycholic acid {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {LY} 12-Ketodeoxycholic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 12-Ketodeoxycholic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 12-Ketodeoxycholic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 12-Ketodeoxycholic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} |
| Chemical Name Translation | (R)-4-(((3R,5R,8R,9S,10S,13R,14S,17R))-3-羟基-10,13-二甲基-12-氧十六烷-1H-环戊[a]菲蒽-17-基戊酸 |
| Canonical SMILES | C[C@H](CCC(O)=O)[C@H]([C@]12C)CC[C@@]1([H])[C@]3([H])CC[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC2=O |
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相关文献及参考
- [1]. Chen H, et al. Metabolomics insights into activated redox signaling and lipid metabolism dysfunction in chronic kidney disease progression.Redox Biol. 2016 Dec;10:168-178.
