S-Methyl-5'-Methylthioadenosine
[CAS# 15648-76-7]

Identification

• Name: S-Methyl-5'-Methylthioadenosine
• Synonyms: [(2S,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl-Dimethyl-Sulfonium; [(2S,3S,4R,5R)-5-(6-Amino-9-Purinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methyl-Dimethylsulfonium; [(2S,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Oxolan-2-Yl]Methyl-Dimethyl-Sulfanium
• Molecular Formula: C₁₂H₁₈N₅O₃S
• Molecular Weight: 312.37
• CAS Registry Number: 15648-76-7
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1O)C[S+](C)C)[N]2C3=C(N=C2)C(=NC=N3)N
• InChI: 1S/C12H18N5O3S/c1-21(2)3-6-8(18)9(19)12(20-6)17-5-16-7-10(13)14-4-15-11(7)17/h4-6,8-9,12,18-19H,3H2,1-2H3,(H2,13,14,15)/q+1/t6-,8-,9-,12-/m1/s1
• InChIKey: DVNIRPKXKMIDQU-WOUKDFQISA-N