Lipid structure

42H

(4r,7r,18z)-4,7-dihydroxy-n,n,n-trimethyl-10-oxo-3,5,9-trioxa-4-phosphaheptacos-18-en-1-aminium 4-oxide

Details

Molecular weight: 522.675 / Molecular formula: C26H53NO7P

Image of the 2D molecular structure 42H

Isoforms

42H is a ligand in structures of these isoforms.

CD1a	CD1b	CD1c	CD1d
2	0	0	0

Lipid role

42H is an antigenic lipid in 2 structures.

Structures containing 42H

PDB code	Isoform	Antigenic lipid	Spacer lipid(s)	Receptors	Resolution
4X6E	CD1a	42H / C26H53NO7P			2.1Å
4X6C	CD1a	42H / C26H53NO7P		αβ TCR	2.8Å

Machine readable representations for 42H

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

InChi Key: YAMUFBLWGFFICM-PTGWMXDISA-O

InChi: InChI=1S/C26H52NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h12-13,25,28H,5-11,14-24H2,1-4H3/p+1/b13-12-/t25-/m1/s1