In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGL02019AD4
Common NameDG(11:0/22:4(7Z,10Z,13Z,16Z)/0:0)
Systematic Name1-undecanoyl-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-sn-glycerol
SynonymsDG(33:4); DG(11:0_22:4)
Exact Mass
574.4597 (neutral)    Calculate m/z:
FormulaC36H62O5
CategoryGlycerolipids [GL]
Main ClassDiradylglycerols [GL02]
Sub ClassDiacylglycerols [GL0201]
PubChem Compound ID (CID)-
InChIKeyLFTUGYFQMKATHS-CXENFDTBSA-N
InChIInChI=1S/C36H62O5/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-25-27-29-31-36(
39)41-34(32-37)33-40-35(38)30-28-26-24-12-10-8-6-4-2/h11,13,15-16,18-19,21-22,34
,37H,3-10,12,14,17,20,23-33H2,1-2H3/b13-11-,16-15-,19-18-,22-21-/t34-/m0/s1
SMILESOC[C@]([H])(OC(CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O)COC(CCCCCCCCCC)=O
MS Spectra-      Predict MS/MS spectrum ([M+NH4]+)
StatusActive (generated by computational methods)