Products 313261-94-8
CAS 313261-94-8 is the registry number for 2'-(5-Triphosphoribosyl)-3'-dephospho-CoA. Offered by: MedChemExpress. Available pack sizes: Get quote.
2'-(5-triphosphoribosyl)-3'-dephospho-CoA is an adenosine 5'-phosphate derivative that has the structure of coenzyme A dephosphorylated at C-3' and with a 5-triphospho-alpha-D-ribosyl substituent at C-2'. It is functionally related to a coenzyme A. It is a conjugate acid of a 2'-(5-triphosphoribosyl)-3'-dephospho-CoA(6-).
Source: ChEBI
| Molecular formula | C26H46N7O26P5S |
|---|---|
| Molecular weight | 1059.6 g/mol |
| IUPAC name | [[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-2-yl]oxy-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-sulfanylethylamino)propyl]amino]butyl] hydrogen phosphate |
| InChIKey | NFWZJXFBUKDGOX-HWCXJHOSSA-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[C@@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)O)[C@H](C(=O)NCCC(=O)NCCS)O |
Computed by PubChem (NCBI)