In-Silico Structure Database (LMISSD)
Common Name
MGDG(14:1(9Z)/12:0)
Systematic Name
1-(9Z-tetradecenoyl),2-dodecanoyl-3-3-O-β-D-galactosyl-sn-glycerol
LM ID
LMGL05019ALV
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
644.449950
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Glycosyldiradylglycerols [GL05]
Glycosyldiacylglycerols [GL0501]
String Representations
InChiKey (Click to copy)
XMSNQLCEQAFLIU-ITWCQOEYSA-N
InChi (Click to copy)
InChI=1S/C35H64O10/c1-3-5-7-9-11-13-14-16-17-19-21-23-30(37)42-26-28(27-43-35-34(41)33(40)32(39)29(25-36)45-35)44-31(38)24-22-20-18-15-12-10-8-6-4-2/h9,11,28-29,32-36,39-41H,3-8,10,12-27H2,1-2H3/b11-9-/t28-,29-,32+,33?,34?,35-/m1/s1
SMILES (Click to copy)
C(O[C@@H]1O[C@H](CO)[C@H](O)C(O)C1O)[C@]([H])(OC(CCCCCCCCCCC)=O)COC(CCCCCCC/C=C\CCCC)=O