2,4-Dichlorobenzoyl-CoA

Molecular Formula: C₂₈H₃₈Cl₂N₇O₁₇P₃S

InChI: InChI=1/C28H38Cl2N7O17P3S/c1-28(2,22(40)25(41)33-6-5-18(38)32-7-8-58-27(42)15-4-3-14(29)9-16(15)30)11-51-57(48,49)54-56(46,47)50-10-17-21(53-55(43,44)45)20(39)26(52-17)37-13-36-19-23(31)34-12-35-24(19)37/h3-4,9,12-13,17,20-22,26,39-40H,5-8,10-11H2,1-2H3,(H,32,38)(H,33,41)(H,46,47)(H,48,49)(H2,31,34,35)(H2,43,44,45)/t17-,20-,21-,22?,26-/m1/s1/f/h32-33,43-44,46,48H,31H2

InChIKey: InChIKey=MBVYUVNTXZVQRL-ZCICPKENDL
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(C=C(C=C4)Cl)Cl)O

Names:
    C06671
    2,4-Dichlorobenzoyl-CoA
    [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-[[[[3-[2-[2-(2,4-dichlorobenzoyl)sulfanylethylcarbamoyl]ethylcarbamoyl]-3-hydroxy-2,2-dimethyl-propoxy]-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-oxolan-3-yl]oxyphosphonic acid

Registries:
    PubChem CID 441134
    PubChem ID 8896