RefMet Compound Details
MW structure | 36993 (View MW Metabolite Database details) | |
---|---|---|
RefMet name | Taurolithocholic acid 3-glucuronide | |
Systematic name | N-(3alpha-hydroxy-5beta-cholan-24-oyl)-taurine 3-D-glucuronide | |
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)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O1)O)O)O Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
Exact mass | 659.333936 (neutral) |