Maleyl-Coenzyme A
[CAS# 54377-18-3]

Identification

• Name: Maleyl-Coenzyme A
• Synonyms: (Z)-4-[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]-4-Oxo-But-2-Enoic Acid; (Z)-4-[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]-4-Oxobut-2-Enoic Acid; (Z)-4-[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]-4-Keto-But-2-Enoic Acid
• Molecular Formula: C₂₅H₃₈N₇O₁₉P₃S
• Molecular Weight: 865.59
• CAS Registry Number: 54377-18-3
• SMILES: C1=NC3=C([N]1C2OC(C(O[P](=O)(O)O)C2O)CO[P](O[P](OCC(C(O)C(=O)NCCC(=O)NCCSC(=O)\C=C/C(=O)O)(C)C)(=O)O)(=O)O)N=CN=C3N
• InChI: 1S/C25H38N7O19P3S/c1-25(2,20(38)23(39)28-6-5-14(33)27-7-8-55-16(36)4-3-15(34)35)10-48-54(45,46)51-53(43,44)47-9-13-19(50-52(40,41)42)18(37)24(49-13)32-12-31-17-21(26)29-11-30-22(17)32/h3-4,11-13,18-20,24,37-38H,5-10H2,1-2H3,(H,27,33)(H,28,39)(H,34,35)(H,43,44)(H,45,46)(H2,26,29,30)(H2,40,41,42)/b4-3-
• InChIKey: NOXKSYIGMVMLHF-ARJAWSKDSA-N

Properties

• Density: 1.912g/cm³ (Cal.)