Acetyl Coenzyme A Trilithium Salt Trihydrate
[CAS# 72-89-9]

Identification

• Name: Acetyl Coenzyme A Trilithium Salt Trihydrate
• Synonyms: S-[2-[3-[[4-[[[5-(6-Aminopurin-9-Yl)-4-Hydroxy-3-Phosphonooxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Oxy-2-Hydroxy-3,3-Dimethyl-Butanoyl]Amino]Propanoylamino]Ethyl] Ethanethioate; Ethanethioic Acid S-[2-[[3-[[4-[[[5-(6-Amino-9-Purinyl)-4-Hydroxy-3-Phosphonooxy-2-Tetrahydrofuranyl]Methoxy-Hydroxyphosphoryl]Oxy-Hydroxyphosphoryl]Oxy-2-Hydroxy-3,3-Dimethyl-1-Oxobutyl]Amino]-1-Oxopropyl]Amino]Ethyl] Ester; Ethanethioic Acid S-[2-[3-[[4-[[[5-(6-Aminopurin-9-Yl)-4-Hydroxy-3-Phosphonooxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Oxy-2-Hydroxy-3,3-Dimethyl-Butanoyl]Amino]Propanoylamino]Ethyl] Ester
• Molecular Formula: C₂₃H₃₈N₇O₁₇P₃S
• Molecular Weight: 809.57
• CAS Registry Number: 72-89-9
• EINECS: 200-790-9
• SMILES: C1=NC3=C([N]1C2OC(CO[P](O[P](OCC(C(C(NCCC(NCCSC(C)=O)=O)=O)O)(C)C)(O)=O)(O)=O)C(C2O)O[P](O)(=O)O)N=CN=C3N
• InChI: 1S/C23H38N7O17P3S/c1-12(31)51-7-6-25-14(32)4-5-26-21(35)18(34)23(2,3)9-44-50(41,42)47-49(39,40)43-8-13-17(46-48(36,37)38)16(33)22(45-13)30-11-29-15-19(24)27-10-28-20(15)30/h10-11,13,16-18,22,33-34H,4-9H2,1-3H3,(H,25,32)(H,26,35)(H,39,40)(H,41,42)(H2,24,27,28)(H2,36,37,38)
• InChIKey: ZSLZBFCDCINBPY-UHFFFAOYSA-N

Properties

• Density: 1.903g/cm³ (Cal.)