| URN | urn:agi-cas:1420-36-6 |
|---|---|
| Total Entities | 0 |
| Connectivity | 58 |
| Name | acetoacetyl-CoA |
| Pathway | Tryptophan metabolism |
|---|---|
| Branched chain amino acids metabolism | |
| Lysine metabolsm | |
| Fatty acid oxidation | |
| Pyruvate metabolism | |
| Malonate, propanoate and beta-alanine metabolism | |
| Mevalonate pathway | |
| Ketonogenesis | |
| cholesterol biosynthetic pathway | |
| ketone bodies metabolic pathway | |
| ketone bodies metabolic pathway | |
| ketone bodies metabolic pathway | |
| cholesterol biosynthetic pathway |
| Source | ChemIDplus |
|---|
| MedScan ID | 1255206 |
|---|
| Alias | acetoacetyl coenzyme a |
|---|---|
| S-Acetoacetylcoenzyme A | |
| Acetoacetyl-CoA | |
| 3-oxobutyryl-CoA | |
| 3-acetoacetyl-CoA | |
| [2,4-13C2]acetoacetyl-CoA | |
| EINECS 215-815-9 | |
| Acetoacetyl coa | |
| 1420-36-6 |
| KEGG ID | C00332 |
|---|
| IUPAC Name | 3-ketobutanethioic acid S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-adenin-9-yl-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethyl] ester |
|---|
| InChIKey | OJFDKHTZOUZBOS-CITAKDKDSA-N |
|---|
| Rotatable Bond Count | 22 |
|---|
| ChEBI ID | 15345 |
|---|
| CAS ID | 1420-36-6 |
|---|
| Molecular Weight | 851.607483 |
|---|
| PubChem SID | 669000 |
|---|
| PubChem CID | 92153 |
|---|
| XLogP | -5.800000 |
|---|
| Molecular Formula | C25H40N7O18P3S |
|---|
| ChemIDplus ID | 001420366 |
|---|
| LinkUrl | http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=92153 |
|---|