Methylmalonyl-Coenzyme A
[CAS# 1264-45-5]

Identification

• Name: Methylmalonyl-Coenzyme A
• Synonyms: 3-[2-[3-[[4-[[[(2R,3S,4R,5R)-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-[[[(2R,3S,4R,5R)-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-[[[(2R,3S,4R,5R)-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: 1264-45-5
• SMILES: [C@H]1(O[P](O)(O)=O)[C@@H](O)[C@@H](O[C@@H]1CO[P](O[P](OCC(C(O)C(=O)NCCC(=O)NCCSC(=O)C(C)C(O)=O)(C)C)(O)=O)(O)=O)[N]3C2=NC=NC(=C2N=C3)N
• 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)/t12?,13-,16-,17-,18?,22-/m1/s1
• InChIKey: MZFOKIKEPGUZEN-RVTPZZGCSA-N

Properties

• Density: 1.921g/cm³ (Cal.)