S-Acetyl-3-Mercaptopropanoyl-Coenzyme A
[CAS# 97919-43-2]

Identification

• Name: S-Acetyl-3-Mercaptopropanoyl-Coenzyme A
• 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] 3-Acetylsulfanylpropanethioate; 3-(Acetylthio)Propanethioic
• Molecular Formula: C₂₆H₄₂N₇O₁₈P₃S₂
• Molecular Weight: 897.70
• CAS Registry Number: 97919-43-2
• SMILES: C1=NC(=C2C(=N1)[N](C=N2)C3C(C(O[P](O)(=O)O)C(O3)CO[P](=O)(O)O[P](OCC(C)(C)C(O)C(NCCC(NCCSC(=O)CCSC(=O)C)=O)=O)(=O)O)O)N
• InChI: 1S/C26H42N7O18P3S2/c1-14(34)55-8-5-17(36)56-9-7-28-16(35)4-6-29-24(39)21(38)26(2,3)11-48-54(45,46)51-53(43,44)47-10-15-20(50-52(40,41)42)19(37)25(49-15)33-13-32-18-22(27)30-12-31-23(18)33/h12-13,15,19-21,25,37-38H,4-11H2,1-3H3,(H,28,35)(H,29,39)(H,43,44)(
• InChIKey: TYVMQOGIOUYOGO-UHFFFAOYSA-N

Properties

• Density: 1.851g/cm³ (Cal.)