RefMet Compound Details
MW structure | 57456 (View MW Metabolite Database details) | |
---|---|---|
RefMet name | 3-Oxooctadecanoyl-CoA | |
Alternative name | CoA 18:0;3oxo | |
Systematic name | 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(3-oxooctadecanoyl)sulfanyl]ethyl}amino)propyl]amino}butyl] dihydrogen diphosphate} | |
SMILES | CCCCCCCCCCCCCCCC(=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 18:1;O | View other entries in RefMet with this sum composition |
Exact mass | 1047.355449 (neutral) |
Table of KEGG reactions in human pathways involving 3-Oxooctadecanoyl-CoA
Rxn ID | KEGG Reaction | Enzyme |
---|---|---|
R07758 | Malonyl-CoA + Palmitoyl-CoA <=> 3-Oxostearoyl-CoA + CoA + CO2 | Malonyl-CoA + Palmitoyl-CoA <=> 3-Oxostearoyl-CoA + CoA + CO2 |
R07759 | 3-Oxostearoyl-CoA + NADPH + H+ <=> 3-Hydroxyoctadecanoyl-CoA + NADP+ | 3-hydroxyoctadecanoyl-CoA:NADP+ oxidoreductase |
Table of KEGG human pathways containing 3-Oxooctadecanoyl-CoA
Pathway ID | Human Pathway | # of reactions |
---|---|---|
hsa01212 | Fatty acid metabolism | 2 |