Name: 5,7-Hexadecadiynoic Acid CoA Ester Sodium Salt
Brand: TRC
SKU: TRC-H283908

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Product Overview

Product Code

TRC-H283908

Product Format

Neat

Molecular Formula

C37H58N7O17P3S . xNa

Molecular Weight

1019.9

Product Categories

TRC

Documentation

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Product Information

Chemical Data

Analyte Name

5,7-Hexadecadiynoic Acid CoA Ester Sodium Salt

Molecular Formula

C37H58N7O17P3S . xNa

Molecular Weight

1019.9

SMILES

O=C(CCCC#CC#CCCCCCCCC)SCCNC(CCNC([C@@H](C(C)(C)COP(O)(OP(O)(OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(O)([O-])=O)=O)=O)O)=O)=O.[Na+]

InChI

InChI=1S/C37H58N7O17P3S.Na/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,4-10,15-23H2,1-3H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52);/q;+1/p-1/t26-,30-,31-,32+,36-;/m1./s1

IUPAC

sodium (2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-(((((((R)-4-((3-((2-(hexadeca-5,7-diynoylthio)ethyl)amino)-3-oxopropyl)amino)-3-hydroxy-2,2-dimethyl-4-oxobutoxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)oxy)methyl)-4-hydroxytetrahydrofuran-3-yl hydrogen phosphate

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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