799812-82-1

Octanoyl coenzyme A triammonium Chemical Structure
799812-82-1

Chemical Structure

Octanoyl coenzyme A triammonium

Synonym(s): S-Octanoate-CoA triammonium; S-​Octanoate-coenzyme A triammonium

  • CAS No.: 799812-82-1
  • Formula:C29H59N10O17P3S
  • Molecular Weight:944.82

InChIKey: FTIQWXKUZWNHGD-GMLRIVIFSA-N

SMILES: O[C@@H]1[C@H](OP(O)(O)=O)[C@@H](COP(OP(OCC(C)(C)[C@@H](O)C(NCCC(NCCSC(CCCCCCC)=O)=O)=O)(O)=O)(O)=O)O[C@H]1N2C=NC3=C(N)N=CN=C32.N.N.N

Biological Activity: Octanoyl coenzyme A triammonium is an enoyl-CoA hydratase binder. Octanoyl coenzyme A triammonium binds to the active site of enoyl-CoA hydratase, occupies the binding pocket for the fatty acid tail of the enzyme's substrate, and induces a conformational shift in a flexible protein loop via its longer octanoyl chain, forming an open channel leading to the inter-trimer gap[1].

Cat. No. Product Name Purity Description Pricing
HY-134136B
Octanoyl coenzyme A triammonium 99% Octanoyl coenzyme A triammonium is an enoyl-CoA hydratase binder. Octanoyl coenzyme A triammonium binds to the active site of enoyl-CoA hydratase, occupies the binding pocket for the fatty acid tail of the enzyme's substrate, and induces a conformational shift in a flexible protein loop via its longer octanoyl chain, forming an open channel leading to the inter-trimer gap.
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This compound is listed in the SVHC (Substances of Very High Concern) candidate list of ECHA (European Chemicals Agency).

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References