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16:0 Coenzyme A (ammonium salt)

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Category Acyl CoA - Saturated Fatty Acid
Catalog NO. BPG-3054
Product Name 16:0 Coenzyme A (ammonium salt)
CAS 799812-86-5
Molecular Formula C37H75N10O17P3S
Molecular Weight 1057.03
16:0 Coenzyme A (ammonium salt)
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Description 16:0 Coenzyme A is a most abundant acyl-CoA and the product of the first round of β-oxidation. It serves as a substrate for palmitoylation, a process in which a protein acyltransferase transfers the palmitoyl group to a free thiol on target proteins.
Synonyms palmitoyl Coenzyme A (ammonium salt); hexadecanoyl Coenzyme A (ammonium salt)
IUPAC Name triazanium;[(2R,3R,5R)-5-(6-aminopurin-9-yl)-2-[[[[(3R)-4-[[3-(2-hexadecanoylsulfanylethylamino)-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl] hydrogen phosphate
SMILES CCCCCCCCCCCCCCCC(=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/C37H66N7O17P3S.3H3N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(46)65-21-20-39-27(45)18-19-40-35(49)32(48)37(2,3)23-58-64(55,56)61-63(53,54)57-22-26-31(60-62(50,51)52)30(47)36(59-26)44-25-43-29-33(38)41-24-42-34(29)44;;;/h24-26,30-32,36,47-48H,4-23H2,1-3H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52);3*1H3/t26-,30?,31+,32+,36-;;;/m1.../s1
InChIKey VJXJWGKNGIGUQX-AUCFWDBISA-N
Purity >99%
Appearance Powder
Shelf Life 1 Year
Storage Store at -20°C
Exact Mass 1057.034
Hygroscopic No
Light Sensitive No
Percent Composition C 42.04%, H 7.15%, N 13.25%, O 25.73%, P 8.79%, S 3.03%

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