In-Silico Structure Database (LMISSD)
Common Name
SQDG(16:1(9Z)/20:4(5Z,8Z,11Z,13E))
Systematic Name
1-(9Z-hexadecenoyl),2-(5Z,8Z,11Z,13E-eicosatetraenoyl)-3-(6'-sulfo-α-D-quinovosyl)-sn-glycerol
LM ID
LMGL05019LLC
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
840.505752
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Glycosyldiradylglycerols [GL05]
Glycosyldiacylglycerols [GL0501]
String Representations
InChiKey (Click to copy)
HFIVKCAAXSRJPI-IZDRFZAESA-N
InChi (Click to copy)
InChI=1S/C45H76O12S/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-41(47)56-38(36-55-45-44(50)43(49)42(48)39(57-45)37-58(51,52)53)35-54-40(46)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h13-18,20,22,26,28,38-39,42-45,48-50H,3-12,19,21,23-25,27,29-37H2,1-2H3,(H,51,52,53)/b15-13+,16-14-,18-17-,22-20-,28-26-/t38-,39-,42-,43?,44?,45-/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(CCC/C=C\C/C=C\C/C=C\C=C\CCCCCC)=O)COC(CCCCCCC/C=C\CCCCCC)=O