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Product Overview

Product Code

TRC-S211423

Product Format

Neat

Molecular Formula

C31H52N7O19P3S • xNa

Product Categories

TRC

Alternate CAS Number

111261-46-2

Documentation

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Product Information

Chemical Data

Analyte Name

Sebacyl-CoA Sodium Salt

Molecular Formula

C31H52N7O19P3S • xNa

SMILES

O[C@H]([C@@H]1O[P](O)(O)=O)[C@@H](O[C@@H]1CO[P](O[P](OCC([C@@H](O)C(NCCC(NCCSC(CCCCCCCCC([O-])=O)=O)=O)=O)(C)C)(O)=O)(O)=O)N2C3=NC=NC(N)=C3N=C2.[Na+]

InChI

InChI=1S/C31H52N7O19P3S.Na/c1-31(2,26(44)29(45)34-12-11-20(39)33-13-14-61-22(42)10-8-6-4-3-5-7-9-21(40)41)16-54-60(51,52)57-59(49,50)53-15-19-25(56-58(46,47)48)24(43)30(55-19)38-18-37-23-27(32)35-17-36-28(23)38;/h17-19,24-26,30,43-44H,3-16H2,1-2H3,(H,33,39)(H,34,45)(H,40,41)(H,49,50)(H,51,52)(H2,32,35,36)(H2,46,47,48);/q;+1/p-1/t19-,24-,25-,26+,30-;/m1./s1

IUPAC

sodium 10-((2-(3-((2R)-4-(((((((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)oxy)-2-hydroxy-3,3-dimethylbutanamido)propanamido)ethyl)thio)-10-oxodecanoate

Alternate CAS Number

111261-46-2

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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