Coenzyme F420
[CAS# 64885-97-8]

Identification

• Name: Coenzyme F420
• Synonyms: (2S)-2-[[(4R)-5-Hydroxy-4-[[(2S)-2-[Hydroxy-[2,3,4-Trihydroxy-5-(2,4,8-Trioxo-1H-Pyrimido[4,5-B]Quinolin-10-Yl)Pentoxy]Phosphoryl]Oxypropanoyl]Amino]-5-Oxo-Pentanoyl]Amino]Pentanedioic Acid; (2S)-2-[[(4R)-5-Hydroxy-4-[[(2S)-2-[Hydroxy-[2,3,4-Trihydroxy-5-(2,4,8-Trioxo-1H-Pyrimido[4,5-B]Quinolin-10-Yl)Pentoxy]Phosphoryl]Oxy-1-Oxopropyl]Amino]-1,5-Dioxopentyl]Amino]Pentanedioic Acid; (2S)-2-[[(4R)-5-Hydroxy-4-[[(2S)-2-[Hydroxy-[2,3,4-Trihydroxy-5-(2,4,8-Triketo-1H-Pyrimido[4,5-B]Quinolin-10-Yl)Pentoxy]Phosphoryl]Oxypropanoyl]Amino]-5-Keto-Pentanoyl]Amino]Glutaric Acid
• Molecular Formula: C₂₉H₃₆N₅O₁₈P
• Molecular Weight: 773.60
• CAS Registry Number: 64885-97-8
• SMILES: [C@@H](NC(=O)[C@@H](O[P](OCC(O)C(O)C(O)CN1C3=C(C=C2C1=CC(=O)C=C2)C(=O)NC(=O)N3)(O)=O)C)(CCC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O
• InChI: 1S/C29H36N5O18P/c1-12(25(42)31-17(28(46)47)4-6-21(38)30-16(27(44)45)5-7-22(39)40)52-53(49,50)51-11-20(37)23(41)19(36)10-34-18-9-14(35)3-2-13(18)8-15-24(34)32-29(48)33-26(15)43/h2-3,8-9,12,16-17,19-20,23,36-37,41H,4-7,10-11H2,1H3,(H,30,38)(H,31,42)(H,39,40)(H,44,45)(H,46,47)(H,49,50)(H2,32,33,43,48)/t12-,16-,17+,19?,20?,23?/m0/s1
• InChIKey: XXFFZHQKSZLLIT-FCBJMSFKSA-N

Properties

• Density: 1.717g/cm³ (Cal.)