RefMet Compound Details
MW structure | 4428 (View MW Metabolite Database details) | |
---|---|---|
RefMet name | Acetoacetyl-CoA | |
Alternative name | CoA 4:0;3oxo | |
Systematic name | Acetoacetyl-CoA | |
SMILES | CC(=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 4:1;O | View other entries in RefMet with this sum composition |
Exact mass | 851.136349 (neutral) |
Table of KEGG reactions in human pathways involving Acetoacetyl-CoA
Rxn ID | KEGG Reaction | Enzyme |
---|---|---|
R00238 | 2 Acetyl-CoA <=> CoA + Acetoacetyl-CoA | acetyl-CoA:acetyl-CoA C-acetyltransferase |
R00410 | Succinyl-CoA + Acetoacetate <=> Succinate + Acetoacetyl-CoA | succinyl-CoA:acetoacetate CoA-transferase |
R01357 | ATP + Acetoacetate + CoA <=> AMP + Diphosphate + Acetoacetyl-CoA | Acetoacetate:CoA ligase (AMP-forming) |
R01358 | Acetoacetyl-CoA + H2O <=> Acetoacetate + CoA | acetoacetyl-CoA hydrolase |
R01359 | Acetoacetyl-CoA + Acetate <=> Acetoacetate + Acetyl-CoA | acetoacetyl-CoA:acetate CoA-transferase |
R01975 | (S)-3-Hydroxybutanoyl-CoA + NAD+ <=> Acetoacetyl-CoA + NADH + H+ | (S)-3-Hydroxybutanoyl-CoA:NAD+ oxidoreductase |
R01976 | (S)-3-Hydroxybutanoyl-CoA + NADP+ <=> Acetoacetyl-CoA + NADPH + H+ | (S)-3-Hydroxybutanoyl-CoA:NADP+ oxidoreductase |
Table of KEGG human pathways containing Acetoacetyl-CoA
Pathway ID | Human Pathway | # of reactions |
---|---|---|
hsa00650 | Butanoate metabolism | 5 |
hsa00280 | Valine, leucine and isoleucine degradation | 4 |
hsa01100 | Metabolic pathways | 3 |
hsa00072 | Synthesis and degradation of ketone bodies | 3 |
hsa00071 | Fatty acid degradation | 2 |
hsa00310 | Lysine degradation | 2 |
hsa00380 | Tryptophan metabolism | 2 |
hsa00900 | Terpenoid backbone biosynthesis | 2 |
hsa01212 | Fatty acid metabolism | 2 |
hsa01200 | Carbon metabolism | 1 |
hsa00620 | Pyruvate metabolism | 1 |
hsa00640 | Propanoate metabolism | 1 |
hsa00630 | Glyoxylate and dicarboxylate metabolism | 1 |