Ligand name: HEXANOYL-COENZYME A
PDB ligand accession: HXC
DrugBank: DB02563
PubChem: 449118
ChEMBL: n/a
InChI Key: OEXFMSFODMQEPE-HDRQGHTBSA-N
SMILES: CCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Lipids and lipid-like molecules
    • Class: Fatty Acyls
      • Subclass: Fatty acyl thioesters

List of PDB structures and/or AlphaFold models with target protein Q9NUI1

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4FC6	Download	Experimental	e4fc6A1 e4fc6B1 e4fc6C1 e4fc6D1	Rossmann-like Rossmann-like Rossmann-like Rossmann-like	LigPlot