RefMet Compound Details
MW structure | 50121 (View MW Metabolite Database details) | |
---|---|---|
RefMet name | 7-Methyl-3-oxooctanoyl-CoA | |
Alternative name | CoA 8:0;3oxo,7Me | |
Systematic name | 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-{[3-({2-[(7-methyl-3-oxooctanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-4-oxobutyl] dihydrogen diphosphate} | |
SMILES | CC(C)CCCC(=O)CC(=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 9:1;O | View other entries in RefMet with this sum composition |
Exact mass | 921.214588 (neutral) |