In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGL05019ADN
Common NameMGDG(11:0/20:1(13E))
Systematic Name1-undecanoyl,2-(13E-eicosenoyl)-3-3-O-β-D-galactosyl-sn-glycerol
SynonymsMGDG(31:1); MGDG(11:0_20:1)
Exact Mass
714.5282 (neutral)    Calculate m/z:
FormulaC40H74O10
CategoryGlycerolipids [GL]
Main ClassGlycosyldiradylglycerols [GL05]
Sub ClassGlycosyldiacylglycerols [GL0501]
PubChem Compound ID (CID)-
InChIKeyOSALUOALHGSCCU-DSXQJPTCSA-N
InChIInChI=1S/C40H74O10/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/h13-14,33-34,37-41,44-46H,3-12,15-32H2,1-2H3/b14-13+/t33-,34-,37+,38?,39?,40
-/m1/s1
SMILESC(O[C@@H]1O[C@H](CO)[C@H](O)C(O)C1O)[C@]([H])(OC(CCCCCCCCCCC/C=C/CCCCCC)=O)COC(C
CCCCCCCCC)=O
MS Spectra-     
StatusActive (generated by computational methods)