RefMet Compound Details
MW structure | 71069 (View MW Metabolite Database details) | |
---|---|---|
RefMet name | Cephacetrile sodium | |
Systematic name | sodium;(6R,7R)-3-(acetoxymethyl)-7-[(2-cyanoacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate | |
SMILES | CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H]([C@H]2SC1)NC(=O)CC#N.[Na+] Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
Exact mass | 361.034454 (neutral) |