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24:0 Coenzyme A (ammonium salt)

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Category	Acyl CoA - Saturated Fatty Acid
Catalog NO.	BPG-3059
Product Name	24:0 Coenzyme A (ammonium salt)
CAS	799812-99-0
Molecular Formula	C45H91N10O17P3S
Molecular Weight	1169.25

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Description	24:0 Coenzyme A is a derivative of lignoceric acid. It is a metabolic intermediate of hydroxyceramide synthesis.
Synonyms	lignoceroyl Coenzyme A (ammonium salt); tetracosanoyl 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-tetracosanoylsulfanylethylamino)propyl]amino]butoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] hydrogen phosphate
Canonical SMILES	CCCCCCCCCCCCCCCCCCCCCCCC(=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/C45H82N7O17P3S.3H3N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-36(54)73-29-28-47-35(53)26-27-48-43(57)40(56)45(2,3)31-66-72(63,64)69-71(61,62)65-30-34-39(68-70(58,59)60)38(55)44(67-34)52-33-51-37-41(46)49-32-50-42(37)52;;;/h32-34,38-40,44,55-56H,4-31H2,1-3H3,(H,47,53)(H,48,57)(H,61,62)(H,63,64)(H2,46,49,50)(H2,58,59,60);3*1H3/t34-,38?,39+,40+,44-;;;/m1.../s1
InChIKey	BMXJUIXYBGOZPL-SJDXFXGUSA-N
Purity	>99%
Appearance	Powder
Shelf Life	1 Year
Storage	Store at -20°C
Exact Mass	1169.247
Hygroscopic	No
Light Sensitive	No
Percent Composition	C 46.22%, H 7.84%, N 11.98%, O 23.26%, P 7.95%, S 2.74%

References

1. Ben-David O, Pewzner-Jung Y, Brenner O, Laviad EL, Kogot-Levin A, Weissberg I, Biton IE, Pienik R, Wang E, Kelly S, Alroy J, Raas-Rothschild A, Friedman A, Brügger B, Merrill AH Jr, Futerman AH. Encephalopathy caused by ablation of very long acyl chain ceramide synthesis may be largely due to reduced galactosylceramide levels. J Biol Chem. 2011 Aug 26;286(34):30022-33. doi: 10.1074/jbc.M111.261206. Epub 2011 Jun 24. PMID: 21705317; PMCID: PMC3191043. PubMed ID: 21705317.

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