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22:6 Coenzyme A (ammonium salt)

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Category	Acyl CoA - Unsaturated Fatty Acid
Catalog NO.	BPG-3091
Product Name	22:6 Coenzyme A (ammonium salt)
CAS	800377-20-2
Molecular Formula	C43H75N10O17P3S
Molecular Weight	1129.10

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Description	22:6 Coenzyme A (ammonium salt) is a vital cofactor imperative for enzymatic functionality in the intricate processes of fatty acid metabolism within cell structures. Its indispensable involvement spans from facilitating the synthesis and oxidation of fatty acids to participating in the crucial biosynthesis of cholesterol and steroid hormones.
Synonyms	docosahexaenoyl Coenzyme A (ammonium salt)
IUPAC Name	triazanium;[(2R,3R,5R)-5-(6-aminopurin-9-yl)-2-[[[[(3R)-4-[[3-[2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]sulfanylethylamino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl] hydrogen phosphate
Canonical SMILES	CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=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/C43H66N7O17P3S.3H3N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-34(52)71-27-26-45-33(51)24-25-46-41(55)38(54)43(2,3)29-64-70(61,62)67-69(59,60)63-28-32-37(66-68(56,57)58)36(53)42(65-32)50-31-49-35-39(44)47-30-48-40(35)50;;;/h5-6,8-9,11-12,14-15,17-18,20-21,30-32,36-38,42,53-54H,4,7,10,13,16,19,22-29H2,1-3H3,(H,45,51)(H,46,55)(H,59,60)(H,61,62)(H2,44,47,48)(H2,56,57,58);3*1H3/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20-;;;/t32-,36?,37+,38+,42-;;;/m1.../s1
InChIKey	CTZVGYDJDPNALD-ZIGQWCBTSA-N
Purity	>99%
Appearance	Powder
Shelf Life	3 Months
Storage	Store at -20°C
Exact Mass	1129.099
Hygroscopic	No
Light Sensitive	No
Percent Composition	C 45.74%, H 6.70%, N 12.41%, O 24.09%, P 8.23%, S 2.84%

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