18:1 Ether Coenzyme A Ammonium salt

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Category	Coenzyme A
Catalog NO.	BPG-3098
Product Name	18:1 Ether Coenzyme A Ammonium salt
CAS	2260670-62-8
Molecular Formula	C39H79N10O16P3S
Molecular Weight	1068.46

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Description	18:1 Ether Coenzyme A Ammonium salt, a crucial ingredient in synthesizing glycosphingolipids and phospholipids, holds an instrumental position in the oxidative disposal of fatty acids while also being a vital agent for drug and toxin metabolism. It is a medically potent recourse for lipid abnormalities and certain inherited metabolic disorders, offering a path of primacy for therapeutic intervention.
Synonyms	(9Z-octadecenyl) Coenzyme A (ammonium salt); triazanium (2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-(((((((R)-3-hydroxy-2,2-dimethyl-4-((3-((2-(((Z)-octadec-9-en-1-yl)thio)ethyl)amino)-3-oxopropyl)amino)-4-oxobutoxy)oxidophosphoryl)oxy)oxidophosphoryl)oxy)methyl)tetrahydrofuran-3-yl hydrogen phosphate; 9H-Purin-6-amine, 9-[(2ξ)-5-O-[hydroxy[[hydroxy[(3R)-3-hydroxy-2,2-dimethyl-4-[[3-[[2-[(9Z)-9-octadecen-1-ylthio]ethyl]amino]-3-oxopropyl]amino]-4-oxobutoxy]phosphinyl]oxy]phosphinyl]-3-O-phosphono-β-D-threo-pentofuranosyl]-, triammonium salt
IUPAC Name	triazanium;[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[[[(3R)-3-hydroxy-2,2-dimethyl-4-[[3-[2-[(Z)-octadec-9-enyl]sulfanylethylamino]-3-oxopropyl]amino]-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] hydrogen phosphate
Canonical SMILES	CCCCCCCCC=CCCCCCCCCSCCNC(=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/C39H70N7O16P3S.3H3N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-66-24-22-41-30(47)20-21-42-37(50)34(49)39(2,3)26-59-65(56,57)62-64(54,55)58-25-29-33(61-63(51,52)53)32(48)38(60-29)46-28-45-31-35(40)43-27-44-36(31)46;;;/h11-12,27-29,32-34,38,48-49H,4-10,13-26H2,1-3H3,(H,41,47)(H,42,50)(H,54,55)(H,56,57)(H2,40,43,44)(H2,51,52,53);3*1H3/b12-11-;;;/t29-,32?,33+,34+,38-;;;/m1.../s1
InChIKey	NKJGEJWYUPZQQY-PRGMZDNUSA-N
Purity	>99%
Solubility	Soluble in Chloroform, Methanol, Water
Appearance	White Powder
Shelf Life	1 Year
Storage	Store at -20°C
Exact Mass	1069.088
Hygroscopic	No
Light Sensitive	No
Percent Composition	C 43.81%, H 7.45%, N 13.10%, O 23.94%, P 8.69%, S 3.00%

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