Products 1245945-35-0
CAS 1245945-35-0 is the registry number for S-(3-Oxohexacosanoate)-CoA. Offered by: MedChemExpress. Available pack sizes: Get quote.
3-oxohexacosanoyl-CoA is a 3-oxo-fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 3-oxohexacosanoic acid. It has a role as a Saccharomyces cerevisiae metabolite and a human metabolite. It is a 3-oxo-fatty acyl-CoA and a very long-chain fatty acyl-CoA. It is functionally related to a 3-oxohexacosanoic acid and a hexacosanoyl-CoA. It is a conjugate acid of a 3-oxohexacosanoyl-CoA(4-).
Source: ChEBI
| Molecular formula | C47H84N7O18P3S |
|---|---|
| Molecular weight | 1160.2 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-oxohexacosanethioate |
| InChIKey | VOMUIFOBQMYJPJ-CPIGOPAHSA-N |
| SMILES | CCCCCCCCCCCCCCCCCCCCCCCC(=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](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O |
Computed by PubChem (NCBI)