5'-((Homocysteinyl)methyl)adenosine 5'-(beta,gamma-imidotriphosphate)
[CAS# 109214-84-8]

Identification

• Name: 5'-((Homocysteinyl)methyl)adenosine 5'-(beta,gamma-imidotriphosphate)
• Synonyms: (2S)-2-Amino-4-[(2R)-2-[(2S,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]-2-[Hydroxy-[Hydroxy-(Phosphonoamino)Phosphoryl]Oxy-Phosphoryl]Oxy-Ethyl]Sulfanyl-Butanoic Acid; (2S)-2-Amino-4-[[(2R)-2-[(2S,3S,4R,5R)-5-(6-Amino-9-Purinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]-2-[Hydroxy-[Hydroxy-(Phosphonoamino)Phosphoryl]Oxyphosphoryl]Oxyethyl]Thio]Butanoic Acid; (2S)-2-Amino-4-[[(2R)-2-[(2S,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]-2-[Hydroxy-[Hydroxy-(Phosphonoamino)Phosphoryl]Oxy-Phosphoryl]Oxy-Ethyl]Thio]Butyric Acid
• Molecular Formula: C₁₅H₂₆N₇O₁₄P₃S
• Molecular Weight: 653.39
• CAS Registry Number: 109214-84-8
• SMILES: [C@@H]3(O[C@@H]([N]1C2=C(N=C1)C(=NC=N2)N)[C@H](O)[C@@H]3O)[C@@H](O[P](O[P](=O)(O)N[P](=O)(O)O)(=O)O)CSCC[C@H](N)C(=O)O
• InChI: 1S/C15H26N7O14P3S/c16-6(15(25)26)1-2-40-3-7(35-39(32,33)36-38(30,31)21-37(27,28)29)11-9(23)10(24)14(34-11)22-5-20-8-12(17)18-4-19-13(8)22/h4-7,9-11,14,23-24H,1-3,16H2,(H,25,26)(H,32,33)(H2,17,18,19)(H4,21,27,28,29,30,31)/t6-,7-,9-,10+,11+,14+/m0/s1
• InChIKey: FBOLNTODBBAPDR-KEPZVFJZSA-N