S-N(6)-Methyladenosylhomocysteine
[CAS# 53228-06-1]

Identification

• Name: S-N(6)-Methyladenosylhomocysteine
• Synonyms: (2S)-2-Amino-4-[[(2S,3S,4R)-3,4-Dihydroxy-5-(6-Methylaminopurin-9-Yl)Tetrahydrofuran-2-Yl]Methylsulfanyl]Butanoic Acid; (2S)-2-Amino-4-[[(2S,3S,4R)-3,4-Dihydroxy-5-(6-Methylamino-9-Purinyl)-2-Tetrahydrofuranyl]Methylthio]Butanoic Acid; (2S)-2-Amino-4-[[(2S,3S,4R)-3,4-Dihydroxy-5-(6-Methylaminopurin-9-Yl)Tetrahydrofuran-2-Yl]Methylthio]Butyric Acid
• Molecular Formula: C₁₅H₂₂N₆O₅S
• Molecular Weight: 398.44
• CAS Registry Number: 53228-06-1
• SMILES: [C@H]1(O)C(O[C@@H]([C@H]1O)CSCC[C@H](N)C(=O)O)[N]2C3=C(N=C2)C(=NC=N3)NC
• InChI: 1S/C15H22N6O5S/c1-17-12-9-13(19-5-18-12)21(6-20-9)14-11(23)10(22)8(26-14)4-27-3-2-7(16)15(24)25/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H,24,25)(H,17,18,19)/t7-,8+,10+,11+,14?/m0/s1
• InChIKey: GEJILRRXJVSBCM-WFEYPKDDSA-N

Properties

• Density: 1.778g/cm³ (Cal.)
• Boiling point: 770.872°C at 760 mmHg (Cal.)
• Flash point: 420.009°C (Cal.)