2'-(5"-phosphoribosyl)-3'-dephospho-CoA

Molecular Formula: C₂₆H₄₄N₇O₂₀P₃S

InChI: InChI=1/C26H44N7O20P3S/c1-26(2,20(38)23(39)29-4-3-14(34)28-5-6-57)9-49-56(45,46)53-55(43,44)48-8-13-17(36)19(24(50-13)33-11-32-15-21(27)30-10-31-22(15)33)52-25-18(37)16(35)12(51-25)7-47-54(40,41)42/h10-13,16-20,24-25,35-38,57H,3-9H2,1-2H3,(H,28,34)(H,29,39)(H,43,44)(H,45,46)(H2,27,30,31)(H2,40,41,42)/f/h28-29,40-41,43,45H,27H2

InChIKey: InChIKey=QPIDRKLSWXSKDV-XITYUZFJCB
SMILES: CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)OC4C(C(C(O4)COP(=O)(O)O)O)O)O)C(C(=O)NCCC(=O)NCCS)O

Names:
    2'-(5"-phosphoribosyl)-3'-dephospho-CoA
    2-5-PHOSPHORIBOSYL-3-DEPHOSPHO-COA
    [5-[2-(6-aminopurin-9-yl)-4-hydroxy-5-[[hydroxy-[hydroxy-[3-hydroxy-2,2-dimethyl-3-[2-(2-sulfanylethylcarbamoyl)ethylcarbamoyl]propoxy]phosphoryl]oxy-phosphoryl]oxymethyl]oxolan-3-yl]oxy-3,4-dihydroxy-oxolan-2-yl]methoxyphosphonic acid

Registries:
    PubChem CID 656413
    PubChem ID 1929