Products 6008-93-1
CAS 6008-93-1 is the registry number for Itaconoyl-CoA. Offered by: MedChemExpress. Available pack sizes: Get quote.
Itaconyl-CoA is the S-itaconyl derivative of coenzyme A. It has a role as a mouse metabolite. It is a monounsaturated fatty acyl-CoA and a 3-enoyl-CoA. It is functionally related to a coenzyme A. It is a conjugate acid of an itaconyl-CoA(5-).
Source: ChEBI
| Molecular formula | C26H40N7O19P3S |
|---|---|
| Molecular weight | 879.6 g/mol |
| IUPAC name | 4-[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]ethylsulfanyl]-2-methylidene-4-oxobutanoic acid |
| InChIKey | NFVGYLGSSJPRKW-CITAKDKDSA-N |
| SMILES | CC(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)[C@H](C(=O)NCCC(=O)NCCSC(=O)CC(=C)C(=O)O)O |
Computed by PubChem (NCBI)