Coenzyme A

• Formula: C₂₁H₃₆N₇O₁₆P₃S

• MW: 767.54

• SMILES String: CC(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)[C@@H](O)C(=O)NCCC(=O)NCCS

• Synonyms: CoA; CoASH

• CAS Reg. 85-61-0

• PubChem Substance Entry

• EAWAG-BBD reactions whose product is Coenzyme A
  • 2-Amino-5-oxocyclohex-1-enecarboxyl-CoA -----> 1,4-Cyclohexanedione + Coenzyme A (reacID# r0584)

• EAWAG-BBD reactions whose substrate is Coenzyme A
  • Acetoacetyl-CoA + Coenzyme A -----> Acetyl-CoA (reacID# r0201)
  • Ethylene Oxide + Coenzyme A -----> Acetyl-CoA (reacID# r0595)

Page Author(s): Sean Anderson
November 08, 2013 Contact Us

This is the EAWAG-BBD compound, compID# c0919.
It was generated on March 15, 2026 at 10:08:50 PM CDT.

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