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28:0 Coenzyme A Ammonium salt

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Category	Acyl CoA - Saturated Fatty Acid
Catalog NO.	BPG-3057
Product Name	28:0 Coenzyme A Ammonium salt
CAS	2260795-80-8
Molecular Formula	C49H99N10O17P3S
Molecular Weight	1225.37

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Description	28:0 Coenzyme A Ammonium salt, a fundamental element in the regulation of fatty acid metabolism, serves an integral role in the intricate beta-oxidation process. Traditionally deployed as a metabolic biomarker for detecting metabolic aberrations (namely obesity, diabetes, and cardiovascular maladies), research also suggests possibilities for its incorporation in ameliorative measures against metabolic disorders as well as cancerous growths.
Synonyms	Octacosanoyl Coenzyme A (ammonium salt); 9H-Purin-6-amine, 9-[(2ξ)-5-O-[hydroxy[[hydroxy[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[[2-[(1-oxooctacosyl)thio]ethyl]amino]propyl]amino]butoxy]phosphinyl]oxy]phosphinyl]-3-O-phosphono-β-D-threo-pentofuranosyl]-, ammonium salt
Canonical SMILES	[NH4+].[NH4+].[NH4+].CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H](C(O)[C@H]1OP([O-])(O)=O)N1C=NC2=C(N)N=CN=C12
InChI	InChI=1S/C49H90N7O17P3S.3H3N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-40(58)77-33-32-51-39(57)30-31-52-47(61)44(60)49(2,3)35-70-76(67,68)73-75(65,66)69-34-38-43(72-74(62,63)64)42(59)48(71-38)56-37-55-41-45(50)53-36-54-46(41)56;;;/h36-38,42-44,48,59-60H,4-35H2,1-3H3,(H,51,57)(H,52,61)(H,65,66)(H,67,68)(H2,50,53,54)(H2,62,63,64);3*1H3/t38-,42?,43+,44+,48-;;;/m1.../s1
InChIKey	QCTDHVGBEKYFJL-JKMDOJMFSA-N
Purity	>99%
Solubility	Soluble in Chloroform, Methanol, Water
Appearance	White Powder
Storage	Store at -20°C
Exact Mass	1224.61
Hygroscopic	No
Light Sensitive	No
Percent Composition	C 48.03% H 8.14% N 11.43% O 22.20% P 7.58% S 2.62%

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