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Product Overview

Product Code

TRC-A291532

Product Format

Neat

Molecular Formula

C15 DH3 H20 N6 O5 S . H S O4 . H2 S O4

Molecular Weight

597.612

Product Categories

TRC, Amino acids, Oligosaccharides, Carbohydrates, Enzyme cofactors, Catechol O-Methyltransferase, Parkinson's, Stable isotopes, Stable Isotope Labelled Analytical Standards, Neurology Research Chemicals and Analytical Standards

Product Type

Stable Isotope Labelled

Alternate CAS Number

Inner salt: 68684-40-2

Unlabelled CAS Number

Free base: 29908-03-0

Documentation

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Product Information

Chemical Data

Analyte Name

S-(5'-Adenosyl)-L-methionine-d3 Disulfate Salt (Mixture of Diastereomers)

Molecular Formula

C15 DH3 H20 N6 O5 S . H S O4 . H2 S O4

Molecular Weight

597.612

Accurate Mass

597.0908

SMILES

[2H]C([2H])([2H])[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@H]([C@@H](O)C1O)n2cnc3c(N)ncnc23.OS(=O)(=O)O.OS(=O)(=O)[O-]

InChI

InChI=1S/C15H22N6O5S.2H2O4S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21;2*1-5(2,3)4/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25);2*(H2,1,2,3,4)/t7-,8+,10?,11-,14+,27?;;/m0../s1/i1D3;;

IUPAC

[(3S)-3-amino-3-carboxy-propyl]-[[(2S,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl]-(trideuteriomethyl)sulfonium;hydrogen sulfate;sulfuric acid

Alternate CAS Number

Inner salt: 68684-40-2

Unlabelled CAS Number

Free base: 29908-03-0

SIL Type

Deuterium

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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S-(5'-Adenosyl)-L-methionine-d3 Disulfate Salt (Synthetic)(Mixture of Diastereomers)

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