In-Silico Structure Database (LMISSD)
Common Name
SQDG(37:0/22:6(4Z,7Z,10Z,12E,16Z,19Z))
Systematic Name
1-heptatriacontanoyl,2-(4Z,7Z,10Z,12E,16Z,19Z-docosahexaenoyl)-3-(6'-sulfo-α-D-quinovosyl)-sn-glycerol
LM ID
LMGL05019P22
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)
BUOQIYUJBYTCME-DSHWHESYSA-N
InChi (Click to copy)
InChI=1S/C68H120O12S/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-39-40-42-44-46-48-50-52-54-56-63(69)77-58-61(59-78-68-67(73)66(72)65(71)62(80-68)60-81(74,75)76)79-64(70)57-55-53-51-49-47-45-43-41-38-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,20,22,38,41,45,47,51,53,61-62,65-68,71-73H,3-5,7,9-11,13,15-19,21,23-37,39-40,42-44,46,48-50,52,54-60H2,1-2H3,(H,74,75,76)/b8-6-,14-12-,22-20+,41-38-,47-45-,53-51-/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(CC/C=C\C/C=C\C/C=C\C=C\CC/C=C\C/C=C\CC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O