S-Adenosylethionine
[CAS# 524-70-9]

Identification

• Name: S-Adenosylethionine
• Synonyms: 2-Amino-4-[[5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl-Ethyl-Sulfonio]Butanoate; 2-Amino-4-[[5-(6-Amino-9-Purinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methyl-Ethylsulfonio]Butanoate; 2-Amino-4-[[5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl-Ethyl-Sulfonio]Butyrate
• Molecular Formula: C₁₆H₂₄N₆O₅S
• Molecular Weight: 412.46
• CAS Registry Number: 524-70-9
• SMILES: C2=NC1=C(N=CN=C1[N]2C3OC(C(O)C3O)C[S+](CCC(N)C([O-])=O)CC)N
• InChI: 1S/C16H24N6O5S/c1-2-28(4-3-8(17)16(25)26)5-9-11(23)12(24)15(27-9)22-7-21-10-13(18)19-6-20-14(10)22/h6-9,11-12,15,23-24H,2-5,17H2,1H3,(H2-,18,19,20,25,26)
• InChIKey: UBQZUBPODLPCFG-UHFFFAOYSA-N