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04:0 Pyrene Coenzyme A (ammonium salt)

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Category	Acyl CoA - Saturated Fatty Acid
Catalog NO.	BPG-3069
Product Name	04:0 Pyrene Coenzyme A (ammonium salt)
CAS	81923-89-9
Molecular Formula	C41H59N10O17P3S
Molecular Weight	1088.30

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Description	Pyrene Coenzyme A (ammonium salt) 04:0, a potent fluorescent derivative of Coenzyme A, is an indispensable research tool for probing the intricate mechanisms underlying lipid metabolism and fatty acid oxidation. Its versatility extends to monitoring fatty acid synthase activity and dissecting the pathophysiological cascades triggering metabolic disorders like obesity and diabetes.
Synonyms	1-pyrenebutanoyl 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-oxo-4-[[3-oxo-3-[2-(4-pyren-1-ylbutanoylsulfanyl)ethylamino]propyl]amino]butoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] hydrogen phosphate
Canonical SMILES	CC(C)(COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)[O-])C(C(=O)NCCC(=O)NCCSC(=O)CCCC4=C5C=CC6=CC=CC7=C6C5=C(C=C7)C=C4)O.[NH4+].[NH4+].[NH4+]
InChI	InChI=1S/C41H50N7O17P3S.3H3N/c1-41(2,20-62-68(59,60)65-67(57,58)61-19-28-35(64-66(54,55)56)34(51)40(63-28)48-22-47-33-37(42)45-21-46-38(33)48)36(52)39(53)44-16-15-29(49)43-17-18-69-30(50)8-4-5-23-9-10-26-12-11-24-6-3-7-25-13-14-27(23)32(26)31(24)25;;;/h3,6-7,9-14,21-22,28,34-36,40,51-52H,4-5,8,15-20H2,1-2H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56);3*1H3/t28-,34?,35+,36+,40-;;;/m1.../s1
InChIKey	OWBIASOIMXAZLH-URMRMLMFSA-N
Purity	>99%
Appearance	Powder
Shelf Life	1 Year
Storage	Store at -20°C
Exact Mass	1088.95
Hygroscopic	No
Light Sensitive	No
Percent Composition	C 45.22%, H 5.46%, N 12.86%, O 24.98%, P 8.53%, S 2.94%

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