2-Amino-5-oxocyclohex-1-enecarbonyl-CoA

Molecular Formula: C₂₈H₄₃N₈O₁₈P₃S

InChI: InChI=1/C28H43N8O18P3S/c1-28(2,22(40)25(41)32-6-5-18(38)31-7-8-58-27(42)15-9-14(37)3-4-16(15)29)11-51-57(48,49)54-56(46,47)50-10-17-21(53-55(43,44)45)20(39)26(52-17)36-13-35-19-23(30)33-12-34-24(19)36/h12-13,17,20-22,26,39-40H,3-11,29H2,1-2H3,(H,31,38)(H,32,41)(H,46,47)(H,48,49)(H2,30,33,34)(H2,43,44,45)/t17-,20-,21-,22?,26-/m1/s1/f/h31-32,43-44,46,48H,30H2

InChIKey: InChIKey=CNGNJOBQFRZLRY-QGSMVTCWDT
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)C4=C(CCC(=O)C4)N)O

Names:
    C05165
    2-Amino-5-oxocyclohex-1-enecarbonyl-CoA
    2-Amino-5-oxo-cyclohex-1-enecarboxy-CoA
    [(2R,3S,4R,5R)-2-[[[[3-[2-[2-(2-amino-5-oxo-cyclohexene-1-carbonyl)sulfanylethylcarbamoyl]ethylcarbamoyl]-3-hydroxy-2,2-dimethyl-propoxy]-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxy-oxolan-3-yl]oxyphosphonic acid

Registries:
    PubChem CID 440581
    PubChem ID 7580