Lipid structure

3XU

(4s,7s,23z)-4-hydroxy-7-[(1s,2z)-1-hydroxyhexadec-2-en-1-yl]-n,n,n-trimethyl-9-oxo-3,5-dioxa-8-aza-4-phosphadotriacont- 23-en-1-aminium 4-oxide

Details

Molecular weight: 814.233 / Molecular formula: C47H94N2O6P

Image of the 2D molecular structure 3XU

Isoforms

3XU is a ligand in structures of these isoforms.

CD1a	CD1b	CD1c	CD1d
1	0	0	0

Lipid role

3XU is an antigenic lipid in 1 structure.

Structures containing 3XU

PDB code	Isoform	Antigenic lipid	Spacer lipid(s)	Receptors	Resolution
4X6F	CD1a	3XU / C47H94N2O6P			1.9Å

Machine readable representations for 3XU

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

InChi Key: WKZHECFHXLTOLJ-SSBLBVCXSA-O

InChi: InChI=1S/C47H93N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-47(51)48-45(44-55-56(52,53)54-43-42-49(3,4)5)46(50)40-38-36-34-32-30-28-19-17-15-13-11-9-7-2/h20-21,38,40,45-46,50H,6-19,22-37,39,41-44H2,1-5H3,(H-,48,51,52,53)/p+1/b21-20-,40-38-/t45-,46-/m0/s1