10:0 (3-Oxo) CoA (ammonium salt)

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Category	Acyl CoA - Saturated Fatty Acid
Catalog NO.	BPG-3071
Product Name	10:0 (3-Oxo) CoA (ammonium salt)
CAS	50411-91-1
Molecular Formula	C31H61N10O18P3S
Molecular Weight	986.86

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Description	(3-Oxo) CoA (ammonium salt) 10:0 is an indispensable molecule within the intricate network of fatty acid metabolism. Its pivotal function lies in both the catabolism and anabolism of fatty acids, facilitating the generation of energy. Furthermore, its therapeutic potential extends to the management of diverse metabolic maladies linked to fatty acid metabolism.
Synonyms	3-oxo decanoyl 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-(3-oxodecanoylsulfanyl)ethylamino]propyl]amino]butoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] hydrogen phosphate
Canonical SMILES	CCCCCCCC(=O)CC(=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/C31H52N7O18P3S.3H3N/c1-4-5-6-7-8-9-19(39)14-22(41)60-13-12-33-21(40)10-11-34-29(44)26(43)31(2,3)16-53-59(50,51)56-58(48,49)52-15-20-25(55-57(45,46)47)24(42)30(54-20)38-18-37-23-27(32)35-17-36-28(23)38;;;/h17-18,20,24-26,30,42-43H,4-16H2,1-3H3,(H,33,40)(H,34,44)(H,48,49)(H,50,51)(H2,32,35,36)(H2,45,46,47);3*1H3/t20-,24?,25+,26+,30-;;;/m1.../s1
InChIKey	HFESTWWYXUDWBA-HGTZWQFESA-N
Purity	>99%
Appearance	Powder
Shelf Life	3 months
Storage	Store at -20°C
Exact Mass	986.31
Hygroscopic	No
Light Sensitive	No
Percent Composition	C 37.73%, H 6.23%, N 14.19%, O 29.18%. P 9.42%, S 3.25%
LogP	-1.264

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