In-Silico Structure Database (LMISSD)
Common Name
MGDG(11:0/22:5(7Z,10Z,13Z,16Z,19Z))
Systematic Name
1-undecanoyl,2-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-3-3-O-β-D-galactosyl-sn-glycerol
LM ID
LMGL05019AD6
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
734.496900
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Glycosyldiradylglycerols [GL05]
Glycosyldiacylglycerols [GL0501]
String Representations
InChiKey (Click to copy)
ILCKHEKPSRARBL-XTWXGYJYSA-N
InChi (Click to copy)
InChI=1S/C42H70O10/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-25-27-29-31-38(45)51-35(33-49-37(44)30-28-26-24-12-10-8-6-4-2)34-50-42-41(48)40(47)39(46)36(32-43)52-42/h5,7,11,13,15-16,18-19,21-22,35-36,39-43,46-48H,3-4,6,8-10,12,14,17,20,23-34H2,1-2H3/b7-5-,13-11-,16-15-,19-18-,22-21-/t35-,36-,39+,40?,41?,42-/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\C/C=C\CC)=O)COC(CCCCCCCCCC)=O