RefMet Compound Details
MW structure | 50153 (View MW Metabolite Database details) | |
---|---|---|
RefMet name | Thiophene-2-carbonyl-CoA | |
Systematic name | 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(thiophene-2-carbonyl)sulfanyl]ethyl}amino)propyl]amino}butyl] dihydrogen diphosphate} | |
SMILES | CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@H](n2cnc3c(N)ncnc23)O1)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c1cccs1)O Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
Exact mass | 877.097844 (neutral) |