04:1 Coenzyme A Sodium salt

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Category	Acyl CoA - Unsaturated Fatty Acid
Catalog NO.	BPG-3088
Product Name	04:1 Coenzyme A Sodium salt
CAS	2260670-60-6
Molecular Formula	C25H37N7Na3O17P3S
Molecular Weight	901.55

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Description	04:1 Coenzyme A Sodium salt is a fundamental biochemical compound prevalent in the biomedical sector, demonstrating its indispensability as a coenzyme involved in diverse metabolic pathways. Its remarkable functionality aids in the seamless transfer of acyl groups. Moreover, owing to its profound impact on lipid metabolism, this product emerges as a potential solution in the treatment of metabolic afflictions, including obesity, diabetes, and cardiovascular anomalies.
Synonyms	(E)-but-2-enoyl Coenzyme A (sodium salt); sodium (2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-(((((((R)-4-((3-((2-(((E)-but-2-enoyl)thio)ethyl)amino)-3-oxopropyl)amino)-3-hydroxy-2,2-dimethyl-4-oxobutoxy)oxidophosphoryl)oxy)oxidophosphoryl)oxy)methyl)-4-hydroxytetrahydrofuran-3-yl hydrogen phosphate; 9H-Purin-6-amine, 9-[(2ξ)-5-O-[hydroxy[[hydroxy[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[[2-[[(2E)-1-oxo-2-buten-1-yl]thio]ethyl]amino]propyl]amino]butoxy]phosphinyl]oxy]phosphinyl]-3-O-phosphono-β-D-threo-pentofuranosyl]-, sodium salt (1:3)
IUPAC Name	trisodium;[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-[[[[(3R)-4-[[3-[2-[(E)-but-2-enoyl]sulfanylethylamino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl] hydrogen phosphate
Canonical SMILES	CC=CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)[O-])O.[Na+].[Na+].[Na+]
InChI	InChI=1S/C25H40N7O17P3S.3Na/c1-4-5-16(34)53-9-8-27-15(33)6-7-28-23(37)20(36)25(2,3)11-46-52(43,44)49-51(41,42)45-10-14-19(48-50(38,39)40)18(35)24(47-14)32-13-31-17-21(26)29-12-30-22(17)32;;;/h4-5,12-14,18-20,24,35-36H,6-11H2,1-3H3,(H,27,33)(H,28,37)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40);;;/q;3*+1/p-3/b5-4+;;;/t14-,18?,19+,20+,24-;;;/m1.../s1
InChIKey	XIHHSPKQIZSOBG-VZXHMQSLSA-K
Purity	>99%
Solubility	Soluble in Chloroform, Methanol, Water
Appearance	White Powder
Shelf Life	1 Year
Storage	Store at -20°C
Exact Mass	901.087
Hygroscopic	No
Light Sensitive	No
Percent Composition	C 33.31%, H 4.14%, N 10.88%, Na 7.65%, O 30.17%, P 10.31%, S 3.56%

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