In-Silico Structure Database (LMISSD)
Common Name
SQDG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/37:0)
Systematic Name
1-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl),2-heptatriacontanoyl-3-(6'-sulfo-α-D-quinovosyl)-sn-glycerol
LM ID
LMGL05019OQ9
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1160.850052
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Glycosyldiradylglycerols [GL05]
Glycosyldiacylglycerols [GL0501]
String Representations
InChiKey (Click to copy)
WJLAGUQCJINVQB-YDGRARCLSA-N
InChi (Click to copy)
InChI=1S/C68H120O12S/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-39-41-43-45-47-49-51-53-55-57-64(70)79-61(59-78-68-67(73)66(72)65(71)62(80-68)60-81(74,75)76)58-77-63(69)56-54-52-50-48-46-44-42-40-38-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,38,40,44,46,50,52,61-62,65-68,71-73H,3-5,7,9-11,13,15-17,19,21-37,39,41-43,45,47-49,51,53-60H2,1-2H3,(H,74,75,76)/b8-6-,14-12-,20-18-,40-38-,46-44-,52-50-/t61-,62-,65-,66?,67?,68-/m1/s1
SMILES (Click to copy)
C(O[C@@H]1O[C@H](CS(=O)(O)=O)[C@@H](O)C(O)C1O)[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O