In-Silico Structure Database (LMISSD)
Common Name
MGDG(11:0/20:4(7E,10E,13E,16E))
Systematic Name
1-undecanoyl,2-(7E,10E,13E,16E-eicosatetraenoyl)-3-3-O-β-D-galactosyl-sn-glycerol
LM ID
LMGL05019ADY
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
708.481250
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Glycosyldiradylglycerols [GL05]
Glycosyldiacylglycerols [GL0501]
String Representations
InChiKey (Click to copy)
YDQUDNUBYULIQO-VPTDHUKXSA-N
InChi (Click to copy)
InChI=1S/C40H68O10/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-23-25-27-29-36(43)49-33(31-47-35(42)28-26-24-22-12-10-8-6-4-2)32-48-40-39(46)38(45)37(44)34(30-41)50-40/h7,9,13-14,16-17,19-20,33-34,37-41,44-46H,3-6,8,10-12,15,18,21-32H2,1-2H3/b9-7+,14-13+,17-16+,20-19+/t33-,34-,37+,38?,39?,40-/m1/s1
SMILES (Click to copy)
C(O[C@@H]1O[C@H](CO)[C@H](O)C(O)C1O)[C@]([H])(OC(CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCC)=O)COC(CCCCCCCCCC)=O