In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGL03019ABN
Common NameTG(10:0/10:0/20:4(7E,10E,13E,16E))
Systematic Name1,2-di-decanoyl-3-(7E,10E,13E,16E-eicosatetraenoyl)-sn-glycerol
SynonymsTG(40:4); TG(10:0_10:0_20:4)
Exact Mass
686.5485 (neutral)    Calculate m/z:
FormulaC43H74O6
CategoryGlycerolipids [GL]
Main ClassTriradylglycerols [GL03]
Sub ClassTriacylglycerols [GL0301]
PubChem Compound ID (CID)-
InChIKeyQMRWUEMSAVYXOT-QMDYVBTHSA-N
InChIInChI=1S/C43H74O6/c1-4-7-10-13-16-17-18-19-20-21-22-23-24-25-28-30-33-36-42(45)4
8-39-40(49-43(46)37-34-31-27-15-12-9-6-3)38-47-41(44)35-32-29-26-14-11-8-5-2/h10
,13,17-18,20-21,23-24,40H,4-9,11-12,14-16,19,22,25-39H2,1-3H3/b13-10+,18-17+,21-
20+,24-23+/t40-/m1/s1
SMILESC(OC(=O)CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCC)[C@]([H])(OC(CCCCCCCCC)=O)COC(CCCCCCCCC)
=O
MS Spectra-      Predict MS/MS spectrum ([M+NH4]+)
StatusActive (generated by computational methods)