Products 19774-86-8
CAS 19774-86-8 is the registry number for 3-Ketohexanoyl-CoA. Offered by: MedChemExpress. Available pack sizes: 1 mg.
3-oxohexanoyl-CoA is an oxo-fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxylic acid group of 3-oxohexanoic acid. It has a role as a mouse metabolite, an Escherichia coli metabolite and a human metabolite. It is functionally related to a hexanoyl-CoA and a 3-oxohexanoic acid. It is a conjugate acid of a 3-oxohexanoyl-CoA(4-).
Source: ChEBI
| Molecular formula | C27H44N7O18P3S |
|---|---|
| Molecular weight | 879.7 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-oxohexanethioate |
| InChIKey | NFOYYXQAVVYWKV-HDRQGHTBSA-N |
| SMILES | CCCC(=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)