2,6-Dihydroxycyclohexane-1-carbonyl-CoA

Molecular Formula: C₂₈H₄₆N₇O₁₉P₃S

InChI: InChI=1/C28H46N7O19P3S/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/h12-16,18,20-22,26,36-37,39-40H,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?,15?,16-,18?,20-,21-,22+,26-/m1/s1/f/h30-31,43-44,46,48H,29H2

InChIKey: InChIKey=IDVOAQDDLQQSLO-ROAOYUFGDY
SMILES: CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n2cnc3c(N)ncnc23)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C4C(O)CCCC4O

Names:
    c0231
    2,6-Dihydroxycyclohexanecarbonyl-CoA
    2,6-Dihydroxycyclohexanecarboxyl-CoA
    2,6-Dihydroxycyclohexane-1-carbonyl-CoA
    2,6-dihydroxycyclohexane-1-carbonyl-CoA
    2,6-Dihydroxycyclohexane-1-carboxyl-CoA
    [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-[[[[(3R)-3-[2-[2-(2,6-dihydroxycyclohexanecarbonyl)sulfanylethylcarbamoyl]ethylcarbamoyl]-3-hydroxy-2,2-dimethyl-propoxy]-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-oxolan-3-yl]oxyphosphonic acid

Registries:
    PubChem CID 9543134
    ChEBI 28576
    Kegg C09824
    PubChem ID 12012
    PubChem ID 14709357
    UM-BBD c0231