In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGL03019FVJ
Common NameTG(11:0/14:0/18:2(2E,4E))
Systematic Name1-undecanoyl-2-tetradecanoyl-3-(2E,4E-octadecadienoyl)-sn-glycerol
SynonymsTG(43:2); TG(11:0_14:0_18:2)
Exact Mass
732.6268 (neutral)    Calculate m/z:
FormulaC46H84O6
CategoryGlycerolipids [GL]
Main ClassTriradylglycerols [GL03]
Sub ClassTriacylglycerols [GL0301]
PubChem Compound ID (CID)-
InChIKeyXAKBBMQZTASLNZ-OPXBMYCASA-N
InChIInChI=1S/C46H84O6/c1-4-7-10-13-16-19-21-22-23-24-26-27-30-33-36-39-45(48)51-42-4
3(41-50-44(47)38-35-32-29-18-15-12-9-6-3)52-46(49)40-37-34-31-28-25-20-17-14-11-
8-5-2/h30,33,36,39,43H,4-29,31-32,34-35,37-38,40-42H2,1-3H3/b33-30+,39-36-/t43-/
m1/s1
SMILESC(OC(=O)/C=C\C=C\CCCCCCCCCCCCC)[C@]([H])(OC(CCCCCCCCCCCCC)=O)COC(CCCCCCCCCC)=O
MS Spectra-      Predict MS/MS spectrum ([M+NH4]+)
StatusActive (generated by computational methods)