LIPID MAPS

Common Name

GalCer(d22:2(4E,8E)/24:0(2OH[R]))

Systematic Name

N-(2R-hydroxytetracosanoyl)-1-β-galactosyl-4E,8E-docosasphingadienine

LM ID

LMISSP05019KEX

Status

Active (generated by computational methods)

Exact Mass

Calculate m/z

881.731984

Formula

C₅₂H₉₉NO₉

Download as...

MDLMOL SDF CSV TSV PNG

MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Classification

String Representations

InChiKey (Click to copy)

UQYMXXYWGMFVOR-ASELMAOWSA-N

InChi (Click to copy)

InChI=1S/C52H99NO9/c1-3-5-7-9-11-13-15-17-19-21-22-23-25-27-29-31-33-35-37-39-41-46(56)51(60)53-44(43-61-52-50(59)49(58)48(57)47(42-54)62-52)45(55)40-38-36-34-32-30-28-26-24-20-18-16-14-12-10-8-6-4-2/h30,32,38,40,44-50,52,54-59H,3-29,31,33-37,39,41-43H2,1-2H3,(H,53,60)/b32-30+,40-38+/t44-,45+,46+,47+,48-,49?,50?,52+/m0/s1

SMILES (Click to copy)

[C@](CO[C@@H]1O[C@H](CO)[C@H](O)C(O)C1O)([H])(NC([C@H](O)CCCCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CC/C=C/CCCCCCCCCCCCC