Lipid structure

3IY

[(2~{r})-1-dodecanoyloxy-3-[oxidanyl-[2-(trimethyl-$l^{4}-azanyl)ethoxy]phosphoryl]oxy-propan-2-yl] (8~{z},11~{z},14~{z},24~{z},27~{z})-triaconta-8,11,14,24,27-pentaenoate

Details

Molecular weight: 865.233 / Molecular formula: C50H91NO8P

Image of the 2D molecular structure 3IY

Isoforms
3IY is a ligand in structures of these isoforms.
CD1a
CD1b
CD1c
CD1d
0 1 0 0
Lipid role

3IY is an antigenic lipid in 1 structure.

Structures containing 3IY
PDB code
Isoform
Antigenic lipid
Spacer lipid(s)
Receptors
Resolution
8GLH CD1b 3IY / C50H91NO8P 3IV 1.8Å
Machine readable representations for 3IY

SMILES: CCCCCCCCCCCC(=O)OC[C@H](CO[P](O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C/C/C=C\C\C=C/CCCCCCCC\C=C/C\C=C/CC

InChi Key: JZJDDTSQGYPVAU-XFFLUJDDSA-O

InChi: InChI=1S/C50H90NO8P/c1-6-8-10-12-14-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-15-13-11-9-7-2/h8,10,14,16,25-26,28-29,31-32,48H,6-7,9,11-13,15,17-24,27,30,33-47H2,1-5H3/p+1/b10-8-,16-14-,26-25-,29-28-,32-31-/t48-/m1/s1