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25:0 Coenzyme A (ammonium salt)

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Category	Acyl CoA - Unsaturated Fatty Acid
Catalog NO.	BPG-3083
Product Name	25:0 Coenzyme A (ammonium salt)
CAS	852100-90-4
Molecular Formula	C46H93N10O17P3S
Molecular Weight	1183.27

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Description	25:0 Coenzyme A is a long-chain acyl-CoA ester. Long-chain acyl-CoA esters play an important role in a plethora of cellular functions. These lipids are involved in regulation of fatty acid synthesis, enzyme systems, vesicle trafficking, ion channels and ion pumps.
Synonyms	pentacosanoyl Coenzyme A (ammonium salt)
IUPAC Name	triazanium;[(2R,3R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[[[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-pentacosanoylsulfanylethylamino)propyl]amino]butoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] hydrogen phosphate
Canonical SMILES	CCCCCCCCCCCCCCCCCCCCCCCCC(=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/C46H84N7O17P3S.3H3N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-37(55)74-30-29-48-36(54)27-28-49-44(58)41(57)46(2,3)32-67-73(64,65)70-72(62,63)66-31-35-40(69-71(59,60)61)39(56)45(68-35)53-34-52-38-42(47)50-33-51-43(38)53;;;/h33-35,39-41,45,56-57H,4-32H2,1-3H3,(H,48,54)(H,49,58)(H,62,63)(H,64,65)(H2,47,50,51)(H2,59,60,61);3*1H3/t35-,39?,40+,41+,45-;;;/m1.../s1
InChIKey	YJOJYMDYLIGHLQ-YZSHUIGGSA-N
Purity	>99%
Appearance	Powder
Shelf Life	1 Year
Storage	Store at -20°C
Exact Mass	1183.274
Hygroscopic	No
Light Sensitive	No
Percent Composition	C 46.69%, H 7.92%, N 11.84%, O 22.99%, P 7.85%, S 2.71%

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