methyl-malonyl-coenzyme A
[CAS# 104809-02-1]

Identification

• Name: methyl-malonyl-coenzyme A
• Synonyms: 3-[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]-2-Methyl-3-Oxo-Propanoic Acid; 3-[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]-2-Methyl-3-Oxopropanoic Acid; 3-[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-Keto-2-Methyl-Propionic Acid
• Molecular Formula: C₂₅H₄₀N₇O₁₉P₃S
• Molecular Weight: 867.61
• CAS Registry Number: 104809-02-1
• SMILES: C1=NC3=C([N]1C2C(C(O[P](O)(O)=O)C(O2)CO[P](O[P](OCC(C(C(NCCC(NCCSC(C(C(=O)O)C)=O)=O)=O)O)(C)C)(O)=O)(O)=O)O)N=CN=C3N
• InChI: 1S/C25H40N7O19P3S/c1-12(23(37)38)24(39)55-7-6-27-14(33)4-5-28-21(36)18(35)25(2,3)9-48-54(45,46)51-53(43,44)47-8-13-17(50-52(40,41)42)16(34)22(49-13)32-11-31-15-19(26)29-10-30-20(15)32/h10-13,16-18,22,34-35H,4-9H2,1-3H3,(H,27,33)(H,28,36)(H,37,38)(H,43,44)(H,45,46)(H2,26,29,30)(H2,40,41,42)
• InChIKey: MZFOKIKEPGUZEN-UHFFFAOYSA-N

Properties

• Density: 1.921g/cm³ (Cal.)