04:0 Coenzyme A (sodium salt)

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Category	Acyl CoA - Saturated Fatty Acid
Catalog NO.	BPG-3075
Product Name	04:0 Coenzyme A (sodium salt)
CAS	799812-79-6
Molecular Formula	C25H39N7Na3O17P3S
Molecular Weight	903.57

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Description	04:0 Coenzyme A is a coenzyme A derivative of butanoic acid. 04:0 Coenzyme A serves as an intermediate in the synthesis of butyrate, which is involved in maintaining colonic homeostasis and gut health. It also has an ability to inhibit citrate synthase (CS).
Synonyms	butanoyl Coenzyme A (sodium salt); butyryl Coenzyme A (sodium salt)
IUPAC Name	trisodium;[(2R,3R,5R)-5-(6-aminopurin-9-yl)-2-[[[[(3R)-4-[[3-(2-butanoylsulfanylethylamino)-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl] hydrogen phosphate
Canonical SMILES	CCCC(=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/C25H42N7O17P3S.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;;;/h12-14,18-20,24,35-36H,4-11H2,1-3H3,(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/t14-,18?,19+,20+,24-;;;/m1.../s1
InChIKey	PRMIKLPNYYDDCC-XRHOYZRHSA-K
Purity	>99%
Appearance	Powder
Shelf Life	1 Year
Storage	Store at -20°C
Exact Mass	903.103
Hygroscopic	No
Light Sensitive	No
Percent Composition	C 33.23%, H 4.35%, N 10.85%, Na 7.63%, O 30.10%, P 10.28%, S 3.55%

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