Ligand name: 8-[2-[(E)-2-[4-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyphenyl]ethenyl]-3,3-dimethyl-indol-1-ium-1-yl]octanoic acid
PDB ligand accession: F4X
DrugBank: n/a
PubChem: 155804422
ChEMBL: n/a
InChI Key: XYRPYNRUMDVKEZ-ZUPFTECCSA-O
SMILES: CC1(c2ccccc2[N+](=C1C=Cc3ccc(cc3)OC4C(C(C(C(O4)CO)O)O)O)CCCCCCCC(=O)O)C
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Lipids and lipid-like molecules
    • Class: Saccharolipids
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein P00722

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7BRS	Download	Experimental	e7brsA2 e7brsA3 e7brsA4 e7brsB3 e7brsB4 e7brsB5 e7brsC1 e7brsC2 e7brsC5 e7brsD1 e7brsD2 e7brsD5	jelly-roll Glycosyl hydrolase domain-like TIM beta/alpha-barrel Glycosyl hydrolase domain-like TIM beta/alpha-barrel jelly-roll Glycosyl hydrolase domain-like jelly-roll TIM beta/alpha-barrel jelly-roll TIM beta/alpha-barrel Glycosyl hydrolase domain-like	LigPlot