CAS 85-61-0 appears in our catalog under these names: Coenzyme A 85%, Coenzyme A, Free Acid, ≥ 95%, Coenzyme A/ 93.84% (existing batch purity), Coenzyme A, Coenzyme A hydrate. Offered by: Ambeed, Chemat Brand, TargetMol, GLPBio, Biosynth. Available pack sizes: 25g, 25mg, 100mg, 250mg, 1g, 5g, 10g, 5mg.
Coenzyme A is a thiol comprising a panthothenate unit in phosphoric anhydride linkage with a 3',5'-adenosine diphosphate unit; and an aminoethanethiol unit. It has a role as a coenzyme, a mouse metabolite and an Escherichia coli metabolite. It is a secondary carboxamide, a member of 6-aminopurines, a nucleotide derivative and a thiol. It is functionally related to a 3'-phosphate-adenosine-5'-diphosphate. It is a conjugate acid of a coenzyme A(4-).
Source: ChEBI
| Molecular formula | C21H36N7O16P3S |
|---|---|
| Molecular weight | 767.5 g/mol |
| IUPAC name | [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-sulfanylethylamino)propyl]amino]butyl] hydrogen phosphate |
| InChIKey | RGJOEKWQDUBAIZ-IBOSZNHHSA-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)NCCS)O |
Computed by PubChem (NCBI)