In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGL02029AH6
Common NameDG(O-16:1(9Z)/20:0/0:0)
Systematic Name1-(9Z-hexadecenyl)-2-eicosanoyl-sn-glycerol
SynonymsDG(O-36:1); DG(O-16:1_20:0)
Exact Mass
608.5744 (neutral)    Calculate m/z:
FormulaC39H76O4
CategoryGlycerolipids [GL]
Main ClassDiradylglycerols [GL02]
Sub Class1-alkyl,2-acylglycerols [GL0202]
PubChem Compound ID (CID)-
InChIKeyJMJMJYGDKLBSAN-KNVMUVLWSA-N
InChIInChI=1S/C39H76O4/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/h14,16,38,40H,3-13,15
,17-37H2,1-2H3/b16-14-/t38-/m0/s1
SMILESOC[C@]([H])(OC(CCCCCCCCCCCCCCCCCCC)=O)COCCCCCCCC/C=C\CCCCCC
MS Spectra-      Predict MS/MS spectrum ([M+NH4]+)
StatusActive (generated by computational methods)