Ibuprofen-CoA

• Formula: C₃₄H₄₈N₇O₁₇P₃S^4-

• MW: 951.78

• SMILES String: CC(C)Cc1ccc(cc1)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 Ibuprofen-CoA
  • Ibuprofen -----> Ibuprofen-CoA (reacID# r1734)

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

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

This is the EAWAG-BBD compound, compID# c1499.
It was generated on October 5, 2024 at 4:19:52 AM CDT.

© 2024, EAWAG.