In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGL02029ABD
Common NameDG(O-14:0/20:1(13Z)/0:0)
Systematic Name1-tetradecyl-2-(13Z-eicosenoyl)-sn-glycerol
SynonymsDG(O-34:1); DG(O-14:0_20:1)
Exact Mass
580.5431 (neutral)    Calculate m/z:
FormulaC37H72O4
CategoryGlycerolipids [GL]
Main ClassDiradylglycerols [GL02]
Sub Class1-alkyl,2-acylglycerols [GL0202]
PubChem Compound ID (CID)-
InChIKeyQCYOOIOWPRWXLH-ISSLVDGSSA-N
InChIInChI=1S/C37H72O4/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-37(39)41-
36(34-38)35-40-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h13,15,36,38H,3-12,14,16-35
H2,1-2H3/b15-13-/t36-/m0/s1
SMILESOC[C@]([H])(OC(CCCCCCCCCCC/C=C\CCCCCC)=O)COCCCCCCCCCCCCCC
MS Spectra-      Predict MS/MS spectrum ([M+NH4]+)
StatusActive (generated by computational methods)