In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGL03049CI0
Common NameTG(P-14:0/20:0/11:0)
Systematic Name2-eicosanoyl-3-undecanoyl-sn-glycerol
SynonymsTG(P-45:0); TG(P-14:0_11:0_20:0)
Exact Mass
748.6945 (neutral)    Calculate m/z:
FormulaC48H92O5
CategoryGlycerolipids [GL]
Main ClassTriradylglycerols [GL03]
Sub Class1Z-alkenyldiacylglycerols [GL0304]
PubChem Compound ID (CID)-
InChIKeyGSKCLPYEOMQEAB-OENHAXBHSA-N
InChIInChI=1S/C48H92O5/c1-4-7-10-13-16-19-21-23-24-25-26-27-28-30-33-36-39-42-48(50)5
3-46(45-52-47(49)41-38-35-32-18-15-12-9-6-3)44-51-43-40-37-34-31-29-22-20-17-14-
11-8-5-2/h40,43,46H,4-39,41-42,44-45H2,1-3H3/b43-40-/t46-/m1/s1
SMILESC(OC(=O)CCCCCCCCCC)[C@]([H])(OC(CCCCCCCCCCCCCCCCCCC)=O)CO/C=C\CCCCCCCCCCCC
MS Spectra-      Predict MS/MS spectrum ([M+NH4]+)
StatusActive (generated by computational methods)