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21:0 Coenzyme A ammonium salt

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Category	Acyl CoA - Unsaturated Fatty Acid
Catalog NO.	BPG-3086
Product Name	21:0 Coenzyme A ammonium salt
CAS	103404-53-1
Molecular Formula	C42H85N10O17P3S
Molecular Weight	1127.2

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Description	21:0 Coenzyme A ammonium salt is a crucial compound employed in research on the inhibition mechanisms of long-chain acyl-CoA dehydrogenase by palmitoyl-CoA and other acyl-CoA thioesters. Further, it is instrumental in the exploration of the intricate regulatory processes governing the mammalian fatty acid ß-oxidation pathway within the liver.
Synonyms	heneicosanoyl Coenzyme A ammonium salt
IUPAC Name	triazanium;[(2R,3R,5R)-5-(6-aminopurin-9-yl)-2-[[[[(3R)-4-[[3-(2-henicosanoylsulfanylethylamino)-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl] hydrogen phosphate
Canonical SMILES	CCCCCCCCCCCCCCCCCCCCC(=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/C42H76N7O17P3S.3H3N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-33(51)70-26-25-44-32(50)23-24-45-40(54)37(53)42(2,3)28-63-69(60,61)66-68(58,59)62-27-31-36(65-67(55,56)57)35(52)41(64-31)49-30-48-34-38(43)46-29-47-39(34)49;;;/h29-31,35-37,41,52-53H,4-28H2,1-3H3,(H,44,50)(H,45,54)(H,58,59)(H,60,61)(H2,43,46,47)(H2,55,56,57);3*1H3/t31-,35?,36+,37+,41-;;;/m1.../s1
InChIKey	FFUABUVWZGVKMT-VQYLQDBCSA-N
Purity	>99%
Appearance	Powder
Shelf Life	1 Year
Storage	Store at -20°C
Exact Mass	1127.167
Hygroscopic	No
Light Sensitive	No
Percent Composition	C 44.75%, H 7.60%, N 12.43%, O 24.13%, P 8.24%, S 2.84%

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