In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGL05019AJR
Common NameMGDG(14:0/16:1(7Z))
Systematic Name1-tetradecanoyl,2-(7Z-hexadecenoyl)-3-3-O-β-D-galactosyl-sn-glycerol
SynonymsMGDG(30:1); MGDG(14:0_16:1)
Exact Mass
700.5126 (neutral)    Calculate m/z:
FormulaC39H72O10
CategoryGlycerolipids [GL]
Main ClassGlycosyldiradylglycerols [GL05]
Sub ClassGlycosyldiacylglycerols [GL0501]
PubChem Compound ID (CID)-
InChIKeyYBYIANZGAWIGCQ-KTTAYTCHSA-N
InChIInChI=1S/C39H72O10/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-28-35(42)48-32(31-47-39
-38(45)37(44)36(43)33(29-40)49-39)30-46-34(41)27-25-23-21-19-17-14-12-10-8-6-4-2
/h16,18,32-33,36-40,43-45H,3-15,17,19-31H2,1-2H3/b18-16-/t32-,33-,36+,37?,38?,39
-/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
CCCCCCCC)=O
MS Spectra-     
StatusActive (generated by computational methods)