Analyte Name

Decarboxylated S-Adenosylmethionine-d3 xSulfate Salt

Molecular Formula

C14H20D3N6O3S . HSO4 . x[H2SO4]

Molecular Weight

553.6

SMILES

O=S(O[O-2])=O.NC1=NC=NC2=C1N=CN2[C@H]3[C@H](O)[C@H](O)[C@@H](C[S+](C([2H])([2H])[2H])CCCN)O3.[H2SO4]

InChI

InChI=1S/C14H23N6O3S.HO4S.H2O4S/c1-24(4-2-3-15)5-8-10(21)11(22)14(23-8)20-7-19-9-12(16)17-6-18-13(9)20;1-5(2,3)4;1-4-5(2)3/h6-8,10-11,14,21-22H,2-5,15H2,1H3,(H2,16,17,18);(H,1,2,3);1,5H/q+1;;/p-1/t8-,10-,11-,14-,24?;;/m1../s1/i1D3;;

IUPAC

(((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)(3-aminopropyl)(methyl-d3)sulfonium sulfuric acid salt

Unlabelled CAS Number

22365-13-5

SIL Type

Deuterium

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat