3-Hydroxy-3-Ethylglutaryl-Coenzyme A
[CAS# 69925-08-2]

Identification

• Name: 3-Hydroxy-3-Ethylglutaryl-Coenzyme A
• Synonyms: 5-[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]Ethylsulfanyl]-3-Ethyl-3-Hydroxy-5-Oxo-Pentanoic Acid; 5-[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]Ethylthio]-3-Ethyl-3-Hydroxy-5-Oxopentanoic Acid; 5-[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]Ethylthio]-3-Ethyl-3-Hydroxy-5-Keto-Valeric Acid
• Molecular Formula: C₂₈H₄₆N₇O₂₀P₃S
• Molecular Weight: 925.69
• CAS Registry Number: 69925-08-2
• SMILES: C1=NC2=C(C(=N1)N)N=C[N]2C3C(O)C(O[P](O)(O)=O)C(O3)CO[P](O[P](OCC(C)(C)C(C(NCCC(NCCSC(CC(CC(=O)O)(CC)O)=O)=O)=O)O)(=O)O)(=O)O
• InChI: 1S/C28H46N7O20P3S/c1-4-28(43,9-17(37)38)10-18(39)59-8-7-30-16(36)5-6-31-25(42)22(41)27(2,3)12-52-58(49,50)55-57(47,48)51-11-15-21(54-56(44,45)46)20(40)26(53-15)35-14-34-19-23(29)32-13-33-24(19)35/h13-15,20-22,26,40-41,43H,4-12H2,1-3H3,(H,30,36)(H,31,42)(H,37,38)(H,47,48)(H,49,50)(H2,29,32,33)(H2,44,45,46)
• InChIKey: JZLVGSUYGVLVTI-UHFFFAOYSA-N

Properties

• Density: 1.843g/cm³ (Cal.)