Ligand name: L-CARNITINYL-COA INNER SALT
PDB ligand accession: CCQ
DrugBank: DB02516
PubChem: 5287894
ChEMBL: n/a
InChI Key: BBRISSLDTUHWKG-PVMHLSDZSA-N
SMILES: CC(C)(COP(=O)([O-])OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)CC(C[N+](C)(C)C)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 P31572

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
1XVV	Download	Experimental	e1xvvA1	SurE-like/CoA-transferase family III (CaiB/BaiF)	LigPlot