RefMet Compound Details
MW structure | 36984 (View MW Metabolite Database details) | |
---|---|---|
RefMet name | Glycoursodeoxycholic acid 3-sulfate | |
Systematic name | N-(3alpha-sulfooxy-7beta-hydroxy-5beta-cholan-24-oyl)-glycine | |
SMILES | C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[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) | |
Exact mass | 529.270941 (neutral) |