Products 6008-96-4
CAS 6008-96-4 is the registry number for 3-Oxoadipyl-CoA. Offered by: MedChemExpress. Available pack sizes: Get quote.
3-oxoadipyl-CoA is the S-(3-oxoadipyl) derivative of coenzyme A. It has a role as a mouse metabolite and an Escherichia coli metabolite. It is functionally related to a 3-oxoadipic acid. It is a conjugate acid of a 3-oxoadipyl-CoA(5-).
Source: ChEBI
| Molecular formula | C27H42N7O20P3S |
|---|---|
| Molecular weight | 909.6 g/mol |
| IUPAC name | 6-[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]-4,6-dioxohexanoic acid |
| InChIKey | VKKKAAPGXHWXOO-BIEWRJSYSA-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(=O)CCC(=O)O)O |
Computed by PubChem (NCBI)