18:3 (n6) Coenzyme A

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Category	Coenzyme A
Catalog NO.	BPG-3095
Product Name	18:3 (n6) Coenzyme A
CAS	27843-61-4
Molecular Formula	C39H73N10O17P3S
Molecular Weight	1078.41

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Description	18:3 (n6) Coenzyme A is a coenzyme A derivative involved in fatty acid metabolism, specifically in the biosynthesis and degradation of unsaturated fatty acids containing 18 carbon atoms and 3 double bonds in the n6 position. It plays a crucial role in various cellular processes related to lipid metabolism and energy production.
Synonyms	(6Z,9Z,12Z-octadecatrienoyl) Coenzyme A (ammonium salt); gamma-(9Z,12Z,15Z-octadecatrienoyl) Coenzyme A (ammonium salt)
IUPAC Name	triazanium;[(2R,3R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[[[(3R)-3-hydroxy-2,2-dimethyl-4-[[3-[2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]sulfanylethylamino]-3-oxopropyl]amino]-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] hydrogen phosphate
Canonical SMILES	CCCCCC=CCC=CCC=CCCCCC(=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/C39H64N7O17P3S.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;;;/h8-9,11-12,14-15,26-28,32-34,38,49-50H,4-7,10,13,16-25H2,1-3H3,(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-,15-14-;;;/t28-,32?,33+,34+,38-;;;/m1.../s1
InChIKey	WSVVMKXLUXUVDE-TZVCYCJASA-N
Purity	>99%
Appearance	Powder
Shelf Life	3 Months
Storage	Store at -20°C
Exact Mass	1079.04
Hygroscopic	No
Light Sensitive	No
Percent Composition	C 43.41%, H 6.82%, N 12.98%, O 25.21%, P 8.61%, S 2.97%

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