For research use only. Not for therapeutic Use.
3′-O-Dephosphono-coenzyme A (Cat No.:I020904) is a derivative of coenzyme A, which plays a crucial role in various biochemical reactions, particularly in metabolism. It is produced by the removal of a phosphate group from coenzyme A at the 3′-position. This compound is used in research to study enzyme mechanisms and metabolic pathways, particularly in relation to the biosynthesis and degradation of fatty acids, lipids, and other bioactive molecules. Though not a common therapeutic agent, it serves as an important tool in biochemical and pharmacological studies.
| Catalog Number | I020904 |
| CAS Number | 3633-59-8 |
| Synonyms | 3'-O-dephosphono-coenzyme A, depCoA, Dephospho-CoA |
| Molecular Formula | C21H35N7O13P2S |
| Purity | 90% |
| Target | Endogenous Metabolite |
| Solubility | Soluble in DMSO |
| Appearance | A crystalline solid |
| Storage | Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years). |
| IUPAC Name | [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-sulfanylethylamino)propyl]amino]butyl] hydrogen phosphate |
| InChI | InChI=1S/C21H35N7O13P2S/c1-21(2,16(32)19(33)24-4-3-12(29)23-5-6-44)8-39-43(36,37)41-42(34,35)38-7-11-14(30)15(31)20(40-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-32,44H,3-8H2,1-2H3,(H,23,29)(H,24,33)(H,34,35)(H,36,37)(H2,22,25,26)/t11-,14-,15-,16+,20-/m1/s1 |
| InChIKey | KDTSHFARGAKYJN-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)O)[C@H](C(=O)NCCC(=O)NCCS)O |
| Reference | 1. Leonardi, R., Zhang, Y.M., Rock, C.O., et al. Coenzyme A: Back in action. Prog. Lipid Res. 44(2-3), 125-153 (2005). |
