RefMet Compound Details
MW structure | 36973 (View MW Metabolite Database details) | |
---|---|---|
RefMet name | Ursodeoxycholic acid 3-sulfate | |
Systematic name | 3alpha-sulfooxy-7beta-hydroxy-5beta-cholan-24-oic acid | |
SMILES | C[C@H](CCC(=O)O)C1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@@H](C[C@H]1C[C@@H]3O)OS(=O)(=O)O Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
Sum Composition | ST 24:1;O4;S | View other entries in RefMet with this sum composition |
Exact mass | 472.249477 (neutral) |