In-Silico Structure Database (LMISSD)
Common Name
SQDG(18:3(6Z,9Z,12Z)/22:1(13Z))
Systematic Name
1-(6Z,9Z,12Z-octadecatrienoyl),2-(13Z-docosenoyl)-3-(6'-sulfo-α-D-quinovosyl)-sn-glycerol
LM ID
LMGL05019MVN
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
898.584002
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Glycosyldiradylglycerols [GL05]
Glycosyldiacylglycerols [GL0501]
String Representations
InChiKey (Click to copy)
XKDBIPZNQTWINM-JURGAEACSA-N
InChi (Click to copy)
InChI=1S/C49H86O12S/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(51)60-42(40-59-49-48(54)47(53)46(52)43(61-49)41-62(55,56)57)39-58-44(50)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h12,14,17-19,23,27,29,42-43,46-49,52-54H,3-11,13,15-16,20-22,24-26,28,30-41H2,1-2H3,(H,55,56,57)/b14-12-,19-17-,23-18-,29-27-/t42-,43-,46-,47?,48?,49-/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(CCCCCCCCCCC/C=C\CCCCCCCC)=O)COC(CCCC/C=C\C/C=C\C/C=C\CCCCC)=O