Products 6711-29-1
CAS 6711-29-1 is the registry number for 3-Hydroxyisovaleryl-CoA. Offered by: MedChemExpress. Available pack sizes: Get quote.
3-hydroxyisovaleryl-CoA is a hydroxy fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 3-hydroxyisovaleric acid. It has a role as a mouse metabolite. It is a 3-hydroxy fatty acyl-CoA, a hydroxybutanoyl-CoA and a methylbutanoyl-CoA. It is functionally related to a butyryl-CoA and a 3-hydroxyisovaleric acid. It is a conjugate acid of a 3-hydroxyisovaleryl-CoA(4-).
Source: ChEBI
| Molecular formula | C26H44N7O18P3S |
|---|---|
| Molecular weight | 867.7 g/mol |
| IUPAC name | S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 3-hydroxy-3-methylbutanethioate |
| InChIKey | PEVZKILCBDEOBT-CITAKDKDSA-N |
| SMILES | CC(C)(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](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O)O |
Computed by PubChem (NCBI)
Synonyms:
3-Hydroxyisovaleryl-CoA, 3-Hydroxyisovaleryl coenzyme A, 3-hydroxy-3-methylbutanoyl-CoA, beta-hydroxyisovaleryl-CoA, 3-hydroxy-3-methylbutyryl-CoA, beta-hydroxyisovaleryl-coenzyme-A, 3-hydroxy-3-methylbutyryl-coenzyme A, 3-hydroxy-3-methylbutanoyl-coenzyme A, orb3022317, 3-hydroxy-3-methyl-butanoyl-CoA