In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGL03019AAT
Common NameTG(10:0/10:0/18:1(4E))
Systematic Name1,2-di-decanoyl-3-(4E-octadecenoyl)-sn-glycerol
SynonymsTG(38:1); TG(10:0_10:0_18:1)
Exact Mass
664.5642 (neutral)    Calculate m/z:
FormulaC41H76O6
CategoryGlycerolipids [GL]
Main ClassTriradylglycerols [GL03]
Sub ClassTriacylglycerols [GL0301]
PubChem Compound ID (CID)-
InChIKeyANLYQLHOTVEBEO-DVRXGFMESA-N
InChIInChI=1S/C41H76O6/c1-4-7-10-13-16-17-18-19-20-21-22-23-26-28-31-34-40(43)46-37-3
8(47-41(44)35-32-29-25-15-12-9-6-3)36-45-39(42)33-30-27-24-14-11-8-5-2/h26,28,38
H,4-25,27,29-37H2,1-3H3/b28-26+/t38-/m1/s1
SMILESC(OC(=O)CC/C=C/CCCCCCCCCCCCC)[C@]([H])(OC(CCCCCCCCC)=O)COC(CCCCCCCCC)=O
MS Spectra-      Predict MS/MS spectrum ([M+NH4]+)
StatusActive (generated by computational methods)