In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGL02049AA1
Common NameDG(P-14:0/18:2(9E,12E)/0:0)
Systematic Name1-(1Z-tetradecenyl)-2-(9E,12E-octadecadienoyl)-sn-glycerol
SynonymsDG(P-32:2); DG(P-14:0_18:2)
Exact Mass
548.4805 (neutral)    Calculate m/z:
FormulaC35H64O4
CategoryGlycerolipids [GL]
Main ClassDiradylglycerols [GL02]
Sub Class1Z-alkenylacylglycerols [GL0204]
PubChem Compound ID (CID)-
InChIKeyXMSDQPRJTFHMRG-WXPWBTNQSA-N
InChIInChI=1S/C35H64O4/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-35(37)39-34(32-
36)33-38-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h11,13,17-18,29,31,34,36H,3-10,12
,14-16,19-28,30,32-33H2,1-2H3/b13-11+,18-17+,31-29-/t34-/m0/s1
SMILESOC[C@]([H])(OC(CCCCCCC/C=C/C/C=C/CCCCC)=O)CO/C=C\CCCCCCCCCCCC
MS Spectra-      Predict MS/MS spectrum ([M+NH4]+)
StatusActive (generated by computational methods)