26:0 Coenzyme A (ammonium salt)

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Category	Acyl CoA - Saturated Fatty Acid
Catalog NO.	BPG-3066
Product Name	26:0 Coenzyme A (ammonium salt)
CAS	799813-02-8
Molecular Formula	C47H95N10O17P3S
Molecular Weight	1197.30

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Description	26:0 Coenzyme A is a coenzyme derivative of hexacosanoic acid. It is found in high concentration in ATP binding cassette transporter D1-deficient cells.
Synonyms	hexacosanoyl Coenzyme A (ammonium salt)
IUPAC Name	triazanium;[(2R,3R,5R)-5-(6-aminopurin-9-yl)-2-[[[[(3R)-4-[[3-(2-hexacosanoylsulfanylethylamino)-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl] hydrogen phosphate
Canonical SMILES	CCCCCCCCCCCCCCCCCCCCCCCCCC(=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/C47H86N7O17P3S.3H3N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-38(56)75-31-30-49-37(55)28-29-50-45(59)42(58)47(2,3)33-68-74(65,66)71-73(63,64)67-32-36-41(70-72(60,61)62)40(57)46(69-36)54-35-53-39-43(48)51-34-52-44(39)54;;;/h34-36,40-42,46,57-58H,4-33H2,1-3H3,(H,49,55)(H,50,59)(H,63,64)(H,65,66)(H2,48,51,52)(H2,60,61,62);3*1H3/t36-,40?,41+,42+,46-;;;/m1.../s1
InChIKey	XKPNJROJQZVENY-PQBGVFARSA-N
Purity	>99%
Appearance	Powder
Shelf Life	1 Year
Storage	Store at -20°C
Exact Mass	1197.3
Hygroscopic	No
Light Sensitive	No
Percent Composition	C 47.15%, H 8.00%, N 11.70%, O 22.72%, P 7.76%, S 2.68%

References

1. Ben-David, O., Y. Pewzner-Jung, O. Brenner, E.L. Laviad, A. Kogot-Levin, I. Weissberg, I.E. Biton, R. Pienik, E. Wang, S. Kelly, J. Alroy, A. Raas-Rothschild, A. Friedman, B. Brugger, A.H. Merrill Jr, and A.H. Futerman. (2011). Encephalopathy caused by ablation of very long acyl chain ceramide synthesis may be largely due to reduced galactosylceramide levels. J Biol Chem 286:30022-33. [PubMed]...PubMed ID: 21705317.

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