In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGL03019VXL
Common NameTG(14:0/15:0/11:0)
Systematic Name1-tetradecanoyl-2-pentadecanoyl-3-undecanoyl-sn-glycerol
SynonymsTG(40:0); TG(11:0_14:0_15:0)
Exact Mass
694.6111 (neutral)    Calculate m/z:
FormulaC43H82O6
CategoryGlycerolipids [GL]
Main ClassTriradylglycerols [GL03]
Sub ClassTriacylglycerols [GL0301]
PubChem Compound ID (CID)-
InChIKeyJYZSFQAEVWMNSE-FAIXQHPJSA-N
InChIInChI=1S/C43H82O6/c1-4-7-10-13-16-19-21-23-25-28-31-34-37-43(46)49-40(38-47-41(4
4)35-32-29-26-18-15-12-9-6-3)39-48-42(45)36-33-30-27-24-22-20-17-14-11-8-5-2/h40
H,4-39H2,1-3H3/t40-/m0/s1
SMILESC(OC(=O)CCCCCCCCCC)[C@]([H])(OC(CCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCC)=O
MS Spectra-      Predict MS/MS spectrum ([M+NH4]+)
StatusActive (generated by computational methods)