S-[5'-Adenosyl(15N5)]-L-methionine Sulfate Salt (Mixture of Diastereomers)

Analyte Name

S-[5'-Adenosyl(15N5)]-L-methionine Sulfate Salt (Mixture of Diastereomers)

Molecular Formula

C₁₅H₂₃N¹⁵N₅O₅S

Molecular Weight

501.47

Accurate Mass

501.09

SMILES

[15NH2]C1=[15N]C=[15N]C2=C1[15N]=C[15N]2[C@@H]3O[C@H](C[S+](CC[C@@H](C(O)=O)N)C)[C@@H](O)[C@H]3O.O=S(O)([O-])=O

InChI

InChI=1S/C15H22N6O5S.H2O4S/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;1-5(2,3)4/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25);(H2,1,2,3,4)/t7-,8+,10+,11+,14+,27?;/m0./s1/i17+1,18+1,19+1,20+1,21+1;

IUPAC

((S)-3-amino-3-carboxypropyl)(((2S,3S,4R,5R)-5-(6-(amino-15N)-9H-purin-9-yl-15N4)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)(methyl)sulfonium hydrogen sulfate

Alternate CAS Number

485-80-3

SIL Type

Nitrogen

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat