In-Silico Structure Database (LMISSD)
Common Name
SQDG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/32:0)
Systematic Name
1-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl),2-dotriacontanoyl-3-(6'-sulfo-α-D-quinovosyl)-sn-glycerol
LM ID
LMGL05019OQ4
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1090.771802
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Glycosyldiradylglycerols [GL05]
Glycosyldiacylglycerols [GL0501]
String Representations
InChiKey (Click to copy)
ONYSZESPLLJRTH-FPHUWLIOSA-N
InChi (Click to copy)
InChI=1S/C63H110O12S/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-29-30-31-32-34-36-38-40-42-44-46-48-50-52-59(65)74-56(54-73-63-62(68)61(67)60(66)57(75-63)55-76(69,70)71)53-72-58(64)51-49-47-45-43-41-39-37-35-33-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,33,35,39,41,45,47,56-57,60-63,66-68H,3-5,7,9-11,13,15-17,19,21-32,34,36-38,40,42-44,46,48-55H2,1-2H3,(H,69,70,71)/b8-6-,14-12-,20-18-,35-33-,41-39-,47-45-/t56-,57-,60-,61?,62?,63-/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(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O