RefMet Compound Details
MW structure | 36948 (View MW Metabolite Database details) | |
---|---|---|
RefMet name | Taurolithocholic acid 3-sulfate | |
Alternative name | Taurolithocholic acis sulfate | |
Systematic name | N-(3alpha-sulfooxy-5beta-cholan-24-oyl)-taurine | |
SMILES | C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](CC[C@]4(C)[C@H]3CC[C@]12C)OS(=O)(=O)O Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
Exact mass | 563.258663 (neutral) |