Lipid structure

4GH

N-{(2s,3r)-1-[(4-deoxy-alpha-d-xylo-hexopyranosyl)oxy]-3-hydroxyoctadecan-2-yl}hexacosanamide

Details

Molecular weight: 826.324 / Molecular formula: C50H99NO7

Image of the 2D molecular structure 4GH

Isoforms

4GH is a ligand in structures of these isoforms.

CD1a	CD1b	CD1c	CD1d
0	0	0	1

Lipid role

4GH is an antigenic lipid in 1 structure.

Structures containing 4GH

PDB code	Isoform	Antigenic lipid	Spacer lipid(s)	Receptors	Resolution
3VWK	CD1d	4GH / C50H99NO7		αβ NK TCR	2.9Å

Machine readable representations for 4GH

SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1O[C@H](CO)C[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC

InChi Key: SBJWEMJDCMAIOT-AHRAGLCISA-N

InChi: InChI=1S/C50H99NO7/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-48(55)51-45(43-57-50-49(56)47(54)41-44(42-52)58-50)46(53)39-37-35-33-31-29-27-16-14-12-10-8-6-4-2/h44-47,49-50,52-54,56H,3-43H2,1-2H3,(H,51,55)/t44-,45-,46+,47-,49+,50-/m0/s1