Lipid structure

CIS

(15z)-n-((1s,2r,3e)-2-hydroxy-1-{[(3-o-sulfo-beta-d-galactopyranosyl)oxy]methyl}heptadec-3-enyl)tetracos-15-enamide

Details

Molecular weight: 890.301 / Molecular formula: C48H91NO11S

Image of the 2D molecular structure CIS

Isoforms
CIS is a ligand in structures of these isoforms.
CD1a
CD1b
CD1c
CD1d
1 0 0 2
Lipid role

CIS is an antigenic lipid in 3 structures.

Structures containing CIS
PDB code
Isoform
Antigenic lipid
Spacer lipid(s)
Receptors
Resolution
7RYN CD1a CIS / C48H91NO11S γδ TCR 2.7Å
4MQ7 CD1d CIS / C48H91NO11S 2.6Å
4EI5 CD1d CIS / C48H91NO11S αβ NK TCR 3.1Å
Machine readable representations for CIS

SMILES: CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[S](O)(=O)=O)[C@H]1O)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC

InChi Key: ZZQWQNAZXFNSEP-JCOQVFCVSA-N

InChi: InChI=1S/C48H91NO11S/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-44(52)49-41(42(51)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2)40-58-48-46(54)47(60-61(55,56)57)45(53)43(39-50)59-48/h17-18,35,37,41-43,45-48,50-51,53-54H,3-16,19-34,36,38-40H2,1-2H3,(H,49,52)(H,55,56,57)/b18-17-,37-35+/t41-,42+,43+,45-,46+,47-,48+/m0/s1