Lipid structure

PIE

1,2-diacyl-sn-glycero-3-phosphoinositol

Details

Molecular weight: 836.061 / Molecular formula: C43H80O13P

Image of the 2D molecular structure PIE

Isoforms

PIE is a ligand in structures of these isoforms.

CD1a	CD1b	CD1c	CD1d
0	2	0	0

Lipid role

PIE is an antigenic lipid in 2 structures.

Structures containing PIE

PDB code	Isoform	Antigenic lipid	Spacer lipid(s)	Receptors	Resolution
8DV4	CD1b	PIE / C43H80O13P	CUY	αβ TCR	2.4Å
8DV3	CD1b	PIE / C43H80O13P	6UL		1.9Å

Machine readable representations for PIE

SMILES: CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P]([O-])(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)OC(=O)CCCCCCC\C=C\CCCCCCCC

InChi Key: PDLAMJKMOKWLAJ-OJERQSHOSA-M

InChi: InChI=1S/C43H81O13P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(45)55-35(34-54-57(51,52)56-43-41(49)39(47)38(46)40(48)42(43)50)33-53-36(44)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,35,38-43,46-50H,3-16,19-34H2,1-2H3,(H,51,52)/p-1/b18-17+/t35-,38-,39-,40+,41-,42-,43-/m1/s1