cis-1,2-Diol-2-hydroibuprofen-CoA

• Formula: C₃₄H₅₀N₇O₁₉P₃S^4-

• MW: 985.79

• SMILES String: CC(C)CC1(O)C=CC(=CC1O)C(C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12

• PubChem Substance Entry

• EAWAG-BBD reactions whose product is cis-1,2-Diol-2-hydroibuprofen-CoA
  • Ibuprofen-CoA -----> cis-1,2-Diol-2-hydroibuprofen-CoA (reacID# r1735)

• EAWAG-BBD reactions whose substrate is cis-1,2-Diol-2-hydroibuprofen-CoA
  • cis-1,2-Diol-2-hydroibuprofen-CoA -----> Propanoyl-CoA + Isobutylcatechol (reacID# r1736)

Page Author(s): Lynda Ellis and Shawn Balcome
November 08, 2013 Contact Us

This is the EAWAG-BBD compound, compID# c1500.
It was generated on February 23, 2025 at 8:36:03 PM CST.

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