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18:3 (n3) Coenzyme A ammonium salt

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Category	Coenzyme A
Catalog NO.	BPG-3094
Product Name	18:3 (n3) Coenzyme A ammonium salt
CAS	13673-87-5
Molecular Formula	C39H73N10O17P3S
Molecular Weight	1078.41

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Description	18:3 (n3) Coenzyme A ammonium salt is an indispensable compound in the intricate network of fatty acid metabolism. Its involvement in both the construction and deconstruction of fatty acids is pivotal for the sustenance of energy production and cellular activities. This compound exhibits promising potential in addressing metabolic aberrations and allied maladies.
Synonyms	(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-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]sulfanylethylamino]-3-oxopropyl]amino]-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] hydrogen phosphate
Canonical SMILES	CCC=CCC=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.[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;;;/h5-6,8-9,11-12,26-28,32-34,38,49-50H,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/b6-5-,9-8-,12-11-;;;/t28-,32?,33+,34+,38-;;;/m1.../s1
InChIKey	FUFZAEKRGPAEJM-MJBUKZSXSA-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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