In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGL05019AAJ
Common NameMGDG(10:0/16:1(7Z))
Systematic Name1-decanoyl,2-(7Z-hexadecenoyl)-3-3-O-β-D-galactosyl-sn-glycerol
SynonymsMGDG(26:1); MGDG(10:0_16:1)
Exact Mass
644.4499 (neutral)    Calculate m/z:
FormulaC35H64O10
CategoryGlycerolipids [GL]
Main ClassGlycosyldiradylglycerols [GL05]
Sub ClassGlycosyldiacylglycerols [GL0501]
PubChem Compound ID (CID)-
InChIKeyZSJRUWSYVXYRER-NOCQTBNKSA-N
InChIInChI=1S/C35H64O10/c1-3-5-7-9-11-12-13-14-15-16-18-20-22-24-31(38)44-28(26-42-30
(37)23-21-19-17-10-8-6-4-2)27-43-35-34(41)33(40)32(39)29(25-36)45-35/h14-15,28-2
9,32-36,39-41H,3-13,16-27H2,1-2H3/b15-14-/t28-,29-,32+,33?,34?,35-/m1/s1
SMILESC(O[C@@H]1O[C@H](CO)[C@H](O)C(O)C1O)[C@]([H])(OC(CCCCC/C=C\CCCCCCCC)=O)COC(CCCCC
CCCC)=O
MS Spectra-     
StatusActive (generated by computational methods)