Lipid structure

JLS

(15z)-n-[(2s,3s,4r)-1-(alpha-d-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]tetracos-15-enamide

Details

Molecular weight: 828.253 / Molecular formula: C48H93NO9

Image of the 2D molecular structure JLS

Isoforms
JLS is a ligand in structures of these isoforms.
CD1a
CD1b
CD1c
CD1d
0 0 0 4
Lipid role

JLS is an antigenic lipid in 4 structures.

Structures containing JLS
PDB code
Isoform
Antigenic lipid
Spacer lipid(s)
Receptors
Resolution
4WWK CD1d JLS / C48H93NO9 αβ NK TCR 3.1Å
4WW2 CD1d JLS / C48H93NO9 αβ NK TCR 2.5Å
4WO4 CD1d JLS / C48H93NO9 δαβ TCR 2.5Å
4LHU CD1d JLS / C48H93NO9 γδ TCR 2.9Å
Machine readable representations for JLS

SMILES: CCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC

InChi Key: QMLKBWVXCMTWOZ-WWHSRKRPSA-N

InChi: InChI=1S/C48H93NO9/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-43(52)49-40(39-57-48-47(56)46(55)45(54)42(38-50)58-48)44(53)41(51)36-34-32-30-28-26-16-14-12-10-8-6-4-2/h17-18,40-42,44-48,50-51,53-56H,3-16,19-39H2,1-2H3,(H,49,52)/b18-17-/t40-,41+,42+,44-,45-,46-,47+,48-/m0/s1