In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGL02029A12
Common NameDG(O-22:0/14:0/0:0)
Systematic Name1-docosyl-2-tetradecanoyl-sn-glycerol
SynonymsDG(O-36:0); DG(O-22:0_14:0)
Exact Mass
610.5900 (neutral)    Calculate m/z:
FormulaC39H78O4
CategoryGlycerolipids [GL]
Main ClassDiradylglycerols [GL02]
Sub Class1-alkyl,2-acylglycerols [GL0202]
PubChem Compound ID (CID)-
InChIKeyJBDXBCNDYWYVIW-LHEWISCISA-N
InChIInChI=1S/C39H78O4/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-25-27-29-31-33-35-
42-37-38(36-40)43-39(41)34-32-30-28-26-24-14-12-10-8-6-4-2/h38,40H,3-37H2,1-2H3/
t38-/m0/s1
SMILESOC[C@]([H])(OC(CCCCCCCCCCCCC)=O)COCCCCCCCCCCCCCCCCCCCCCC
MS Spectra-      Predict MS/MS spectrum ([M+NH4]+)
StatusActive (generated by computational methods)