In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGL02029AA0
Common NameDG(O-14:0/18:2(9E,11E)/0:0)
Systematic Name1-tetradecyl-2-(9E,11E-octadecadienoyl)-sn-glycerol
SynonymsDG(O-32:2); DG(O-14:0_18:2)
Exact Mass
550.4961 (neutral)    Calculate m/z:
FormulaC35H66O4
CategoryGlycerolipids [GL]
Main ClassDiradylglycerols [GL02]
Sub Class1-alkyl,2-acylglycerols [GL0202]
PubChem Compound ID (CID)-
InChIKeyJCXBRQKRRNWLLJ-JXPMVYLFSA-N
InChIInChI=1S/C35H66O4/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-35(37)39-34(32-
36)33-38-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h13,15,17-18,34,36H,3-12,14,16,19
-33H2,1-2H3/b15-13+,18-17+/t34-/m0/s1
SMILESOC[C@]([H])(OC(CCCCCCC/C=C/C=C/CCCCCC)=O)COCCCCCCCCCCCCCC
MS Spectra-      Predict MS/MS spectrum ([M+NH4]+)
StatusActive (generated by computational methods)