RefMet Compound Details
RefMet ID | RM0138918 | |
---|---|---|
MW structure | 36969 (View MW Metabolite Database details) | |
RefMet name | Taurochenodeoxycholic acid 3-sulfate | |
Systematic name | N-(3alpha-sulfooxy-7alpha-hydroxy-5beta-cholan-24-oyl)-taurine | |
SMILES | C[C@H](CCC(=O)NCCS(=O)(=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 | 563.258663 (neutral) |