Products 958766-66-0
CAS 958766-66-0 is the registry number for 2-Hydroxy-6-oxocyclohexane-1-carbonyl-CoA. Offered by: MedChemExpress. Available pack sizes: Get quote.
2-hydroxy-6-oxocyclohexane-1-carbonyl-CoA is a 3-oxoacyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 2-hydroxy-6-oxocyclohexane-1-carboxylic acid. It has a role as a mouse metabolite. It is a 3-oxo-fatty acyl-CoA and a 3-hydroxy fatty acyl-CoA. It is functionally related to a cyclohexane-1-carbonyl-CoA. It is a conjugate acid of a 2-hydroxy-6-oxocyclohexane-1-carbonyl-CoA(4-).
Source: ChEBI
| Molecular formula | C28H44N7O19P3S |
|---|---|
| Molecular weight | 907.7 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] 2-hydroxy-6-oxocyclohexane-1-carbothioate |
| InChIKey | XUJOIUADEGVEIA-SOAMHPODSA-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)C4C(CCCC4=O)O)O |
Computed by PubChem (NCBI)
Synonyms:
2-hydroxy-6-oxocyclohexane-1-carbonyl-CoA, 6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA, 6-Oxo-2-hydroxycyclohexanecarbonyl-CoA, 6-Oxo-2-hydroxycyclohexanecarboxyl-CoA, 6-Oxo-2-hydroxycyclohexane-1-carbonyl-CoA, 6-Oxo-2-hydroxycyclohexanecarboxyl-coenzyme A, 2-hydroxy-6-oxocyclohexane-1-carbonyl-coenzyme A, orb3022197