RefMet Compound Details
MW structure | 50148 (View MW Metabolite Database details) | |
---|---|---|
RefMet name | Pentanoyl-CoA | |
Alternative name | CoA 5:0 | |
Systematic name | 3'-phosphoadenosine 5'-(3-{(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[(3-oxo-3-{[2-(pentanoylsulfanyl)ethyl]amino}propyl)amino]butyl} dihydrogen diphosphate) | |
SMILES | CCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(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)O Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
Sum Composition | CoA 5:0 | View other entries in RefMet with this sum composition |
Exact mass | 851.172734 (neutral) |