In-Silico Structure Database (LMISSD)
Common Name
MGDG(22:6(4Z,7Z,10Z,12E,16Z,19Z)/22:1(13Z))
Systematic Name
1-(4Z,7Z,10Z,12E,16Z,19Z-docosahexaenoyl),2-(13Z-docosenoyl)-3-3-O-β-D-galactosyl-sn-glycerol
LM ID
LMGL05019D1H
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
884.637750
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Glycosyldiradylglycerols [GL05]
Glycosyldiacylglycerols [GL0501]
String Representations
InChiKey (Click to copy)
GALIZWZVYFCAMZ-BGOSCMKHSA-N
InChi (Click to copy)
InChI=1S/C53H88O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(55)60-44-46(45-61-53-52(59)51(58)50(57)47(43-54)63-53)62-49(56)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,18-21,23,25,29,31,35,37,46-47,50-54,57-59H,3-4,6,8-10,12,14-17,22,24,26-28,30,32-34,36,38-45H2,1-2H3/b7-5-,13-11-,20-18-,21-19+,25-23-,31-29-,37-35-/t46-,47-,50+,51?,52?,53-/m1/s1
SMILES (Click to copy)
C(O[C@@H]1O[C@H](CO)[C@H](O)C(O)C1O)[C@]([H])(OC(CCCCCCCCCCC/C=C\CCCCCCCC)=O)COC(CC/C=C\C/C=C\C/C=C\C=C\CC/C=C\C/C=C\CC)=O