In-Silico Structure Database (LMISSD)
Common Name
MGDG(11:0/20:5(5Z,8Z,11Z,14Z,17Z))
Systematic Name
1-undecanoyl,2-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-3-3-O-β-D-galactosyl-sn-glycerol
LM ID
LMGL05019ADZ
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
706.465600
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Glycosyldiradylglycerols [GL05]
Glycosyldiacylglycerols [GL0501]
String Representations
InChiKey (Click to copy)
CMJIXLVKMZPHJP-LZPDIRMZSA-N
InChi (Click to copy)
InChI=1S/C40H66O10/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/h5,7,11,13,15-16,18-19,21,23,33-34,37-41,44-46H,3-4,6,8-10,12,14,17,20,22,24-32H2,1-2H3/b7-5-,13-11-,16-15-,19-18-,23-21-/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(CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O)COC(CCCCCCCCCC)=O