Ligand name: [(2~{R})-2-hexadecanoyloxy-3-[oxidanyl-[(2~{S},3~{S},5~{R},6~{S})-2,3,4,5,6-pentakis(oxidanyl)cyclohexyl]oxy-phosphoryl]oxy-propyl] hexadecanoate
PDB ligand accession: 85R
DrugBank: n/a
PubChem: n/a
ChEMBL: n/a
InChI Key: IBUKXRINTKQBRQ-PLWKSVIPSA-N
SMILES: CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OC1C(C(C(C(C1O)O)O)O)O)OC(=O)CCCCCCCCCCCCCCC
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Lipids and lipid-like molecules
    • Class: Glycerophospholipids
      • Subclass: Glycerophosphoinositols

List of PDB structures and/or AlphaFold models with target protein Q99653

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7X2U	Download	Experimental	e7x2uC2 e7x2uD2	EF-hand EF-hand	LigPlot