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Product Overview

Product Code

TRC-S689810

Product Format

Neat

Molecular Formula

C29H48N7O19P3S • xNa

Molecular Weight

946.7

Product Categories

TRC

Documentation

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Product Information

Chemical Data

Analyte Name

Suberyl-CoA Sodium Salt

Molecular Formula

C29H48N7O19P3S • xNa

Molecular Weight

946.7

SMILES

OC(C1O[P](O)(O)=O)C(OC1CO[P](O[P](OCC(C)(C)C(O)C(NCCC(NCCSC(CCCCCCC(O)=O)=O)=O)=O)(O)=O)(O)=O)N2C(N=CN=C3N)=C3N=C2

InChI

InChI=1S/C29H48N7O19P3S.Na/c1-29(2,24(42)27(43)32-10-9-18(37)31-11-12-59-20(40)8-6-4-3-5-7-19(38)39)14-52-58(49,50)55-57(47,48)51-13-17-23(54-56(44,45)46)22(41)28(53-17)36-16-35-21-25(30)33-15-34-26(21)36;/h15-17,22-24,28,41-42H,3-14H2,1-2H3,(H,31,37)(H,32,43)(H,38,39)(H,47,48)(H,49,50)(H2,30,33,34)(H2,44,45,46);/q;+1/p-1

IUPAC

sodium 5-(6-amino-9H-purin-9-yl)-2-((((((4-((3-((2-((7-carboxyheptanoyl)thio)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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