Tunicamycin A1
[CAS# 66081-37-6]

Identification

• Name: Tunicamycin A1
• Synonyms: (E)-N-[2-[3-Acetamido-4,5-Dihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxy-6-[2-[5-(2,4-Dioxopyrimidin-1-Yl)-3,4-Dihydroxyoxolan-2-Yl]-2-Hydroxyethyl]-4,5-Dihydroxyoxan-3-Yl]-12-Methyltridec-2-Enamide; (E)-N-[2-[3-Acetamido-4,5-Dihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-6-[2-[5-(2,4-Dioxopyrimidin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]-2-Hydroxy-Ethyl]-4,5-Dihydroxy-Tetrahydropyran-3-Yl]-12-Methyl-Tridec-2-Enamide; N-[2-[3-Acetamido-4,5-Dihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-6-[2-[5-(2,4-Dioxopyrimidin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]-2-Hydroxy-Ethyl]-4,5-Dihydroxy-Tetrahydropyran-3-Yl]-12-Methyl-Tridec-2-Enamide
• Molecular Formula: C₃₇H₆₀N₄O₁₆
• Molecular Weight: 816.90
• CAS Registry Number: 66081-37-6
• SMILES: C(C1OC(C(C(C1O)O)NC(\C=C\CCCCCCCCC(C)C)=O)OC2C(C(C(O)C(O2)CO)O)NC(C)=O)C(C4OC(N3C(NC(=O)C=C3)=O)C(C4O)O)O
• InChI: 1S/C37H60N4O16/c1-18(2)12-10-8-6-4-5-7-9-11-13-23(45)39-26-30(50)27(47)21(54-36(26)57-35-25(38-19(3)43)29(49)28(48)22(17-42)55-35)16-20(44)33-31(51)32(52)34(56-33)41-15-14-24(46)40-37(41)53/h11,13-15,18,20-22,25-36,42,44,47-52H,4-10,12,16-17H2,1-3H3,(H,38,43)(H,39,45)(H,40,46,53)/b13-11+
• InChIKey: YJQCOFNZVFGCAF-ACCUITESSA-N

Properties

• Density: 1.435g/cm³ (Cal.)