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18:2 (n6) Coenzyme A ammonium salt

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Category	Coenzyme A
Catalog NO.	BPG-3096
Product Name	18:2 (n6) Coenzyme A ammonium salt
CAS	1246304-39-1
Molecular Formula	C39H75N10O17P3S
Molecular Weight	1081.06

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Description	18:2 (n6) Coenzyme A ammonium salt serves as an indispensable catalyst in the intricate biochemical processes of fatty acid biosynthesis and breakdown. Its pivotal involvement in the catabolism of omega-6 polyunsaturated fatty acids is paramount for the generation of cellular ATP. Clinically, it is prescribed for the management of metabolic aberrations and insufficiencies linked to lipid metabolism.
Synonyms	(9Z,12Z-octadecadienoyl) Coenzyme A (ammonium salt); Linoleoyl CoA
IUPAC Name	S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (9Z,12Z)-octadeca-9,12-dienethioate;azane
Canonical SMILES	CCCCCC=CCC=CCCCCCCCC(=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.N.N.N
InChI	InChI=1S/C39H66N7O17P3S.3H3N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28)46-27-45-31-35(40)43-26-44-36(31)46;;;/h8-9,11-12,26-28,32-34,38,49-50H,4-7,10,13-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54);3*1H3/b9-8-,12-11-;;;/t28-,32-,33-,34+,38-;;;/m1.../s1
InChIKey	SWGFKEKFDABKFK-WNPBHWCZSA-N
Purity	>99%
Related CAS	6709-57-5 (free acid)
Appearance	Powder
Shelf Life	3 Months
Storage	Store at -20°C
Exact Mass	1080.425
Hygroscopic	No
Light Sensitive	No
Percent Composition	C 43.33%, H 6.99%, N 12.96%, O 25.16%, P 8.60%, S 2.97%

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