16-(9-Anthroyloxy)palmitoyl-coenzyme A
[CAS# 129385-08-6]

Identification

• Name: 16-(9-Anthroyloxy)palmitoyl-coenzyme A
• Synonyms: [16-[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]-16-Oxo-Hexadecyl] Anthracene-9-Carboxylate; 9-Anthracenecarboxylic Acid [16-[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]-16-Oxohexadecyl] Ester; Anthracene-9-Carboxylic Acid [16-[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]-16-Keto-Hexadecyl] Ester
• Molecular Formula: C₅₂H₇₄N₇O₁₉P₃S
• Molecular Weight: 1226.17
• CAS Registry Number: 129385-08-6
• SMILES: C1=NC2=C(C(=N1)N)N=C[N]2C3C(O)C(O[P](O)(O)=O)C(O3)CO[P](O[P](OCC(C)(C)C(C(NCCC(NCCSC(=O)CCCCCCCCCCCCCCCOC(C4=C6C(=CC5=CC=CC=C45)C=CC=C6)=O)=O)=O)O)(=O)O)(=O)O
• InChI: 1S/C52H74N7O19P3S/c1-52(2,32-75-81(71,72)78-80(69,70)74-31-39-45(77-79(66,67)68)44(62)50(76-39)59-34-58-43-47(53)56-33-57-48(43)59)46(63)49(64)55-26-25-40(60)54-27-29-82-41(61)24-14-12-10-8-6-4-3-5-7-9-11-13-19-28-73-51(65)42-37-22-17-15-20-35(37)30-36-21-16-18-23-38(36)42/h15-18,20-23,30,33-34,39,44-46,50,62-63H,3-14,19,24-29,31-32H2,1-2H3,(H,54,60)(H,55,64)(H,69,70)(H,71,72)(H2,53,56,57)(H2,66,67,68)
• InChIKey: CYKMXPZVKUFDRF-UHFFFAOYSA-N

Properties

• Density: 1.517g/cm³ (Cal.)