Lipid structure

WGR

Dideoxymycobactin-838

Details

Molecular weight: 838.127 / Molecular formula: C47H75N5O8

Image of the 2D molecular structure WGR

Isoforms

WGR is a ligand in structures of these isoforms.

CD1a	CD1b	CD1c	CD1d
1	0	0	0

Lipid role

WGR is an antigenic lipid in 1 structure.

Structures containing WGR

PDB code	Isoform	Antigenic lipid	Spacer lipid(s)	Receptors	Resolution
7RYO	CD1a	WGR / C47H75N5O8		γδ TCR	3.0Å

Machine readable representations for WGR

SMILES: CCCCCCCCCCCCCCCCC\C=C/C(=O)NCCCC[C@H](NC(=O)[C@]1(C)COC(=N1)c2ccccc2O)C(=O)O[C@H](C)CC(=O)N[C@H]3CCCCNC3=O

InChi Key: JLBSVDZUWJLOCF-ZLKQSCCRSA-N

InChi: InChI=1S/C47H75N5O8/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-31-41(54)48-32-25-24-29-39(45(57)60-36(2)34-42(55)50-38-28-23-26-33-49-43(38)56)51-46(58)47(3)35-59-44(52-47)37-27-21-22-30-40(37)53/h20-22,27,30-31,36,38-39,53H,4-19,23-26,28-29,32-35H2,1-3H3,(H,48,54)(H,49,56)(H,50,55)(H,51,58)/b31-20-/t36-,38+,39+,47+/m1/s1