In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGL05019ABI
Common NameMGDG(10:0/20:4(5E,8E,11E,14E))
Systematic Name1-decanoyl,2-(5E,8E,11E,14E-eicosatetraenoyl)-3-3-O-β-D-galactosyl-sn-glycerol
SynonymsMGDG(30:4); MGDG(10:0_20:4)
Exact Mass
694.4656 (neutral)    Calculate m/z:
FormulaC39H66O10
CategoryGlycerolipids [GL]
Main ClassGlycosyldiradylglycerols [GL05]
Sub ClassGlycosyldiacylglycerols [GL0501]
PubChem Compound ID (CID)-
InChIKeyFVPILQHNAGXRSB-UOAWZAFUSA-N
InChIInChI=1S/C39H66O10/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-22-24-26-28-35(42)48
-32(30-46-34(41)27-25-23-21-10-8-6-4-2)31-47-39-38(45)37(44)36(43)33(29-40)49-39
/h11-12,14-15,17-18,20,22,32-33,36-40,43-45H,3-10,13,16,19,21,23-31H2,1-2H3/b12-
11+,15-14+,18-17+,22-20+/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(CCC/C=C/C/C=C/C/C=C/C/C=C/CCCCC
)=O)COC(CCCCCCCCC)=O
MS Spectra-     
StatusActive (generated by computational methods)