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 A0ACI9

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5INI	Download	Experimental	e5iniA1 e5iniA2 e5iniD2 e5iniB2 e5iniF2 e5iniC2 e5iniE1 e5iniE2 e5iniB1 e5iniF1	ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase	LigPlot
5INF	Download	Experimental	e5infB2 e5infF2	ClpP/crotonase ClpP/crotonase	LigPlot