Cyclohexanecarboxyl-coenzyme A

Molecular Formula: C28H46N7O17P3S


InChI: InChI=1/C28H46N7O17P3S/c1-28(2,22(38)25(39)31-9-8-18(36)30-10-11-56-27(40)16-6-4-3-5-7-16)13-49-55(46,47)52-54(44,45)48-12-17-21(51-53(41,42)43)20(37)26(50-17)35-15-34-19-23(29)32-14-33-24(19)35/h14-17,20-22,26,37-38H,3-13H2,1-2H3,(H,30,36)(H,31,39)(H,44,45)(H,46,47)(H2,29,32,33)(H2,41,42,43)/t17-,20-,21-,22+,26-/m1/s1/f/h30-31,41-42,44,46H,29H2

InChIKey: InChIKey=QRSKGVRHSLILFG-RVXHXRGRDE
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)C4CCCCC4

Names:
    CHEBI:28557
    Coenzyme A, S-cyclohexanecarboxylate
    Cyclohexanecarboxyl-coa
    Cyclohexanecarboxyl-coenzyme A
    cyclohexane-1-carbonyl-CoA
    Cyclohexane-1-carboxyl-CoA
    3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(cyclohexane-1-carbonyl)sulfanyl]ethyl
    [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-[[[[(3R)-3-[2-[2-(cyclohexanecarbonylsulfanyl)ethylcarbamoyl]ethylcarbamoyl]-3-hydroxy-2,2-dimethyl-propoxy]-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-oxolan-3-yl]oxyphosphonic acid

Registries:
    PubChem CID 11966208
    ChEBI 28557
    Kegg C09823
    PubChem ID 12011
    PubChem ID 17425090