Lipid structure

3LY

[(~{z},2~{r},3~{s})-2-(hexadecanoylamino)-3-oxidanyl-octadec-4-enyl] 2-(trimethyl-$l^{4}-azanyl)ethyl hydrogen phosphate

Details

Molecular weight: 704.036 / Molecular formula: C39H80N2O6P

Image of the 2D molecular structure 3LY

Isoforms

3LY is a ligand in structures of these isoforms.

CD1a	CD1b	CD1c	CD1d
0	1	0	0

Lipid role

3LY is an antigenic lipid in 1 structure.

Structures containing 3LY

PDB code	Isoform	Antigenic lipid	Spacer lipid(s)	Receptors	Resolution
8GLF	CD1b	3LY / C39H80N2O6P	6UL		2.0Å

Machine readable representations for 3LY

SMILES: CCCCCCCCCCCCCCCC(=O)N[C@H](CO[P](O)(=O)OCC[N+](C)(C)C)[C@@H](O)\C=C/CCCCCCCCCCCCC

InChi Key: RWKUXQNLWDTSLO-OPXWDTKOSA-O

InChi: InChI=1S/C39H79N2O6P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-38(42)37(36-47-48(44,45)46-35-34-41(3,4)5)40-39(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h30,32,37-38,42H,6-29,31,33-36H2,1-5H3,(H-,40,43,44,45)/p+1/b32-30-/t37-,38+/m1/s1