RefMet Compound Details
MW structure | 36402 (View MW Metabolite Database details) | |
---|---|---|
RefMet name | 3-Ketochenodeoxycholic acid | |
Systematic name | 7alpha-Hydroxy-3-oxo-5beta-cholan-24-oic acid | |
SMILES | C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CCC(=O)C[C@H]1C[C@H]3O Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
Sum Composition | ST 24:2;O4 | View other entries in RefMet with this sum composition |
Exact mass | 390.277010 (neutral) |