In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGL02029AF3
Common NameDG(O-16:1(11Z)/20:3(8Z,11Z,14Z)/0:0)
Systematic Name1-(11Z-hexadecenyl)-2-(8Z,11Z,14Z-eicosatrienoyl)-sn-glycerol
SynonymsDG(O-36:4); DG(O-16:1_20:3)
Exact Mass
602.5274 (neutral)    Calculate m/z:
FormulaC39H70O4
CategoryGlycerolipids [GL]
Main ClassDiradylglycerols [GL02]
Sub Class1-alkyl,2-acylglycerols [GL0202]
PubChem Compound ID (CID)-
InChIKeyWXLGXOIRVBGJEA-JIJHRHKNSA-N
InChIInChI=1S/C39H70O4/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-39(41)43-
38(36-40)37-42-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h10-13,17,19,21-22,38
,40H,3-9,14-16,18,20,23-37H2,1-2H3/b12-10-,13-11-,19-17-,22-21-/t38-/m0/s1
SMILESOC[C@]([H])(OC(CCCCCC/C=C\C/C=C\C/C=C\CCCCC)=O)COCCCCCCCCCC/C=C\CCCC
MS Spectra-      Predict MS/MS spectrum ([M+NH4]+)
StatusActive (generated by computational methods)