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12:0 Coenzyme A (ammonium salt)

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Category	Acyl CoA - Saturated Fatty Acid
Catalog NO.	BPG-3078
Product Name	12:0 Coenzyme A (ammonium salt)
CAS	799812-84-3
Molecular Formula	C33H67N10O17P3S
Molecular Weight	1000.93

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Description	12:0 Coenzyme A is an acyl CoA derivative of saturated fatty acid. Acylated derivatives, for example Acetyl-CoA, are critical intermediates in many metabolic reactions ADD>, particularly fatty acid and carbohydrate metabolism.
Synonyms	lauroyl Coenzyme A (ammonium salt); dodecanoyl Coenzyme A (ammonium salt)
IUPAC Name	triazanium;[(2R,3R,5R)-5-(6-aminopurin-9-yl)-2-[[[[(3R)-4-[[3-(2-dodecanoylsulfanylethylamino)-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl] hydrogen phosphate
Canonical SMILES	CCCCCCCCCCCC(=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.[NH4+].[NH4+].[NH4+]
InChI	InChI=1S/C33H58N7O17P3S.3H3N/c1-4-5-6-7-8-9-10-11-12-13-24(42)61-17-16-35-23(41)14-15-36-31(45)28(44)33(2,3)19-54-60(51,52)57-59(49,50)53-18-22-27(56-58(46,47)48)26(43)32(55-22)40-21-39-25-29(34)37-20-38-30(25)40;;;/h20-22,26-28,32,43-44H,4-19H2,1-3H3,(H,35,41)(H,36,45)(H,49,50)(H,51,52)(H2,34,37,38)(H2,46,47,48);3*1H3/t22-,26?,27+,28+,32-;;;/m1.../s1
InChIKey	AEPZRRFJIKJEOI-LZDFHDLKSA-N
Purity	>99%
Appearance	Powder
Shelf Life	1 Year
Storage	Store at -20°C
Exact Mass	1000.928
Hygroscopic	No
Light Sensitive	No
Percent Composition	C 39.60%, H 6.75%, N 13.99%, O 27.17%, P 9.28%, S 3.20%

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