S-Adenosylmethionine
[CAS# 485-80-3]

Identification

• Classification: Biochemical >> Amino acids and their derivatives >> Methionine derivatives
• Name: S-Adenosylmethionine
• Synonyms: 2-Amino-4-[[5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl-Methyl-Sulfonio]Butanoate; 2-Amino-4-[[5-(6-Amino-9-Purinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methyl-Methylsulfonio]Butanoate; 2-Amino-4-[[5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl-Methyl-Sulfonio]Butyrate
• Molecular Formula: C₁₅H₂₂N₆O₅S
• Molecular Weight: 398.44
• CAS Registry Number: 485-80-3
• SMILES: C2=NC1=C(N=CN=C1[N]2C3OC(C(O)C3O)C[S+](CCC(N)C([O-])=O)C)N
• InChI: 1S/C15H22N6O5S/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/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)
• InChIKey: MEFKEPWMEQBLKI-UHFFFAOYSA-N