S-(5-Hydroxy-2-furoyl)-CoA

Molecular Formula: C₂₆H₃₈N₇O₁₉P₃S

InChI: InChI=1/C26H38N7O19P3S/c1-26(2,20(37)23(38)29-6-5-15(34)28-7-8-56-25(39)13-3-4-16(35)49-13)10-48-55(45,46)52-54(43,44)47-9-14-19(51-53(40,41)42)18(36)24(50-14)33-12-32-17-21(27)30-11-31-22(17)33/h3-4,11-12,14,18-20,24,36-37,39H,5-10H2,1-2H3,(H,28,34)(H,29,38)(H,43,44)(H,45,46)(H2,27,30,31)(H2,40,41,42)/b25-13+/t14-,18-,19-,20?,24-/m1/s1/f/h28-29,40-41,43,45H,27H2

InChIKey: InChIKey=KMJXVYCZTSOMDG-HVZCVBQDDI
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(=C4C=CC(=O)O4)O)O

Names:
    C03724
    S-(5-Hydroxy-2-furoyl)-CoA
    [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy-[3-hydroxy-3-[2-[2-[(E)-hydroxy-(5-oxo-2-furylidene)methyl]sulfanylethylcarbamoyl]ethylcarbamoyl]-2,2-dimethyl-propoxy]phosphoryl]oxy-phosphoryl]oxymethyl]oxolan-3-yl]oxyphosphonic acid

Registries:
    PubChem CID 5280622
    PubChem ID 6489