16:0 Ether Coenzyme A (ammonium salt)

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Category	Acyl CoA - Unsaturated Fatty Acid
Catalog NO.	BPG-3087
Product Name	16:0 Ether Coenzyme A (ammonium salt)
CAS	71425-89-3
Molecular Formula	C37H77N10O16P3S
Molecular Weight	1043.05

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Description	16:0 Ether Coenzyme A (ammonium salt) is a vital constituent in the intricate pathway of ether lipid biosynthesis, 16:0 Ether Coenzyme A (ammonium salt) serves as a pivotal player in diverse metabolic processes related to pharmacotherapy and pathophysiology, especially in the realms of oncology and metabolic dysregulation.
Synonyms	hexadecyl Coenzyme A (ammonium salt)
IUPAC Name	triazanium;[(2R,3R,5R)-5-(6-aminopurin-9-yl)-2-[[[[(3R)-4-[[3-(2-hexadecylsulfanylethylamino)-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl] hydrogen phosphate
Canonical SMILES	CCCCCCCCCCCCCCCCSCCNC(=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/C37H68N7O16P3S.3H3N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-64-22-20-39-28(45)18-19-40-35(48)32(47)37(2,3)24-57-63(54,55)60-62(52,53)56-23-27-31(59-61(49,50)51)30(46)36(58-27)44-26-43-29-33(38)41-25-42-34(29)44;;;/h25-27,30-32,36,46-47H,4-24H2,1-3H3,(H,39,45)(H,40,48)(H,52,53)(H,54,55)(H2,38,41,42)(H2,49,50,51);3*1H3/t27-,30?,31+,32+,36-;;;/m1.../s1
InChIKey	XESJXIGUEOLPCN-WZLKCONQSA-N
Purity	>99%
Appearance	Powder
Shelf Life	1 Year
Storage	Store at -20°C
Exact Mass	1043.051
Hygroscopic	No
Light Sensitive	No
Percent Composition	C 42.61%, H 7.44%, N 13.43%, O 24.54%, P 8.91%, S 3.07%

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