In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGL0301ELPL
Common NameTG(20:1(11E)/11:0/10:0)
Systematic Name1-(11E-eicosenoyl)-2-undecanoyl-3-decanoyl-sn-glycerol
SynonymsTG(41:1); TG(10:0_11:0_20:1)
Exact Mass
706.6111 (neutral)    Calculate m/z:
FormulaC44H82O6
CategoryGlycerolipids [GL]
Main ClassTriradylglycerols [GL03]
Sub ClassTriacylglycerols [GL0301]
PubChem Compound ID (CID)-
InChIKeyDRZGPBNTMSFZED-WADLJTJSSA-N
InChIInChI=1S/C44H82O6/c1-4-7-10-13-16-18-19-20-21-22-23-24-25-26-29-31-34-37-43(46)4
9-40-41(39-48-42(45)36-33-30-27-15-12-9-6-3)50-44(47)38-35-32-28-17-14-11-8-5-2/
h20-21,41H,4-19,22-40H2,1-3H3/b21-20+/t41-/m0/s1
SMILESC(OC(=O)CCCCCCCCC)[C@]([H])(OC(CCCCCCCCCC)=O)COC(CCCCCCCCC/C=C/CCCCCCCC)=O
MS Spectra-      Predict MS/MS spectrum ([M+NH4]+)
StatusActive (generated by computational methods)