6-Oxo-2-hydroxycyclohexane-1-carbonyl-CoA

Molecular Formula: C₂₈H₄₄N₇O₁₉P₃S

InChI: InChI=1/C28H44N7O19P3S/c1-28(2,22(40)25(41)31-7-6-17(38)30-8-9-58-27(42)18-14(36)4-3-5-15(18)37)11-51-57(48,49)54-56(46,47)50-10-16-21(53-55(43,44)45)20(39)26(52-16)35-13-34-19-23(29)32-12-33-24(19)35/h12-14,16,18,20-22,26,36,39-40H,3-11H2,1-2H3,(H,30,38)(H,31,41)(H,46,47)(H,48,49)(H2,29,32,33)(H2,43,44,45)/t14?,16-,18u,20-,21-,22+,26-/m1/s1/f/h30-31,43-44,46,48H,29H2

InChIKey: InChIKey=XUJOIUADEGVEIA-KLIRPOKRDG
SMILES: CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)C4C(CCCC4=O)O)O

Names:
    c0232
    6-Oxo-2-hydroxycyclohexanecarbonyl-CoA
    6-Oxo-2-hydroxycyclohexanecarboxyl-CoA
    6-Oxo-2-hydroxycyclohexane-1-carbonyl-CoA
    6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA
    [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy-[(3R)-3-hydroxy-3-[2-[2-(2-hydroxy-6-oxo-cyclohexanecarbonyl)sulfanylethylcarbamoyl]ethylcarbamoyl]-2,2-dimethyl-propoxy]phosphoryl]oxy-phosphoryl]oxymethyl]oxolan-3-yl]oxyphosphonic acid

Registries:
    PubChem CID 9543137
    PubChem ID 14709367