| Primary information |
|---|
| ID | 20413 |
| Pubchem ID | 22833531 |
| Name | 7b-Hydroxy-3-oxo-5b-cholanoic acid |
| Description | 7b-Hydroxy-3-oxo-5b-cholanoic acid was one of the bile acids present in significant proportions during early gestation; identified in amniotic fluid. |
| Synonym | 7b-Hydroxy-3-oxo-5b-cholanoate;(5b;7b)-7-Hydroxy-3-oxo-cholan-24-Oate;(5b;7b)-7-Hydroxy-3-oxo-cholan-24-Oic acid;7b-Hydroxy-3-oxo-5b-cholan-24-Oate;7b-Hydroxy-3-oxo-5b-cholan-24-Oic acid;Methyl (4R)-4 |
| Molecular Weight | 402.5668 |
| Formula | C25H38O4 |
| IUPAC | methyl (4R)-4-[(1S;2S;10R;11S;14R;15R)-2;15-dimethyl-5;9-dioxotetracyclo[8.7.0.0²;⁷.0¹¹;¹⁵]heptadecan-14-yl]pentanoate |
| SMILE | [H][C@@]12CC[C@H]([C@H](C)CCC(=O)OC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C(=O)CC2CC(=O)CC[C@]12C |
| PDB ID | NA |
| KEGG | NA |
| HMDB ID | HMDB0000541 |
| Melting Point (Degree C) | 171 |
| Water Solubility | NA |
| Drugbank ID | NA |
| Receptor | NA |
| Reference | HMDB
|