RefMet Compound Details
RefMet ID | RM0156465 | |
---|---|---|
MW structure | 75083 (View MW Metabolite Database details) | |
RefMet name | Glycodeoxycholic acid 3-sulfate | |
Systematic name | N-(3alpha-sulfooxy-12alpha-hydroxy-5beta-cholan-24-oyl)-glycine | |
SMILES | C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](CC[C@]4(C)[C@H]3C[C@@H]([C@]12C)O)OS(=O)(=O)O Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
Exact mass | 529.270941 (neutral) |