In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGL03019AA1
Common NameTG(10:0/10:0/18:2(9E,12E))
Systematic Name1,2-di-decanoyl-3-(9E,12E-octadecadienoyl)-sn-glycerol
SynonymsTG(38:2); TG(10:0_10:0_18:2)
Exact Mass
662.5485 (neutral)    Calculate m/z:
FormulaC41H74O6
CategoryGlycerolipids [GL]
Main ClassTriradylglycerols [GL03]
Sub ClassTriacylglycerols [GL0301]
PubChem Compound ID (CID)-
InChIKeyVSZUFXULXCVQDQ-UCYJGJIQSA-N
InChIInChI=1S/C41H74O6/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/h16-17,19
-20,38H,4-15,18,21-37H2,1-3H3/b17-16+,20-19+/t38-/m1/s1
SMILESC(OC(=O)CCCCCCC/C=C/C/C=C/CCCCC)[C@]([H])(OC(CCCCCCCCC)=O)COC(CCCCCCCCC)=O
MS Spectra-      Predict MS/MS spectrum ([M+NH4]+)
StatusActive (generated by computational methods)