In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGL03049ADR
Common NameTG(P-14:0/11:0/20:3(5Z,8Z,11Z))
Systematic Name2-undecanoyl-3-(5Z,8Z,11Z-eicosatrienoyl)-sn-glycerol
SynonymsTG(P-45:3); TG(P-14:0_11:0_20:3)
Exact Mass
742.6475 (neutral)    Calculate m/z:
FormulaC48H86O5
CategoryGlycerolipids [GL]
Main ClassTriradylglycerols [GL03]
Sub Class1Z-alkenyldiacylglycerols [GL0304]
PubChem Compound ID (CID)-
InChIKeyGBHCQRQLGGBMSG-KONDPNMLSA-N
InChIInChI=1S/C48H86O5/c1-4-7-10-13-16-19-21-23-24-25-26-27-28-30-33-35-38-41-47(49)5
2-45-46(53-48(50)42-39-36-32-18-15-12-9-6-3)44-51-43-40-37-34-31-29-22-20-17-14-
11-8-5-2/h23-24,26-27,30,33,40,43,46H,4-22,25,28-29,31-32,34-39,41-42,44-45H2,1-
3H3/b24-23-,27-26-,33-30-,43-40-/t46-/m1/s1
SMILESC(OC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC)[C@]([H])(OC(CCCCCCCCCC)=O)CO/C=C\CCCCCCCCC
CCC
MS Spectra-      Predict MS/MS spectrum ([M+NH4]+)
StatusActive (generated by computational methods)