In-Silico Structure Database (LMISSD)
Common Name
MGDG(18:3(6Z,9Z,12Z)/17:0)
Systematic Name
1-(6Z,9Z,12Z-octadecatrienoyl),2-heptadecanoyl-3-3-O-β-D-galactosyl-sn-glycerol
LM ID
LMGL05019B7R
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
766.559500
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Glycosyldiradylglycerols [GL05]
Glycosyldiacylglycerols [GL0501]
String Representations
InChiKey (Click to copy)
SXAGZKLKCDOGIE-TVGAFKPRSA-N
InChi (Click to copy)
InChI=1S/C44H78O10/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-39(46)51-35-37(36-52-44-43(50)42(49)41(48)38(34-45)54-44)53-40(47)33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,22,24,37-38,41-45,48-50H,3-10,12,14-16,18,20-21,23,25-36H2,1-2H3/b13-11-,19-17-,24-22-/t37-,38-,41+,42?,43?,44-/m1/s1
SMILES (Click to copy)
C(O[C@@H]1O[C@H](CO)[C@H](O)C(O)C1O)[C@]([H])(OC(CCCCCCCCCCCCCCCC)=O)COC(CCCC/C=C\C/C=C\C/C=C\CCCCC)=O