In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGL02029ABL
Common NameDG(O-14:0/20:4(5Z,8Z,11Z,14Z)/0:0)
Systematic Name1-tetradecyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycerol
SynonymsDG(O-34:4); DG(O-14:0_20:4)
Exact Mass
574.4961 (neutral)    Calculate m/z:
FormulaC37H66O4
CategoryGlycerolipids [GL]
Main ClassDiradylglycerols [GL02]
Sub Class1-alkyl,2-acylglycerols [GL0202]
PubChem Compound ID (CID)-
InChIKeyXHAFDOYFYDETTA-RPPYSDCYSA-N
InChIInChI=1S/C37H66O4/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/h11,13,17-18,20-21,24,26,36
,38H,3-10,12,14-16,19,22-23,25,27-35H2,1-2H3/b13-11-,18-17-,21-20-,26-24-/t36-/m
0/s1
SMILESOC[C@]([H])(OC(CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O)COCCCCCCCCCCCCCC
MS Spectra-      Predict MS/MS spectrum ([M+NH4]+)
StatusActive (generated by computational methods)