In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGL03019AAK
Common NameTG(10:0/10:0/16:1(9Z))
Systematic Name1,2-di-decanoyl-3-(9Z-hexadecenoyl)-sn-glycerol
SynonymsTG(36:1); TG(10:0_10:0_16:1)
Exact Mass
636.5329 (neutral)    Calculate m/z:
FormulaC39H72O6
CategoryGlycerolipids [GL]
Main ClassTriradylglycerols [GL03]
Sub ClassTriacylglycerols [GL0301]
PubChem Compound ID (CID)-
InChIKeyDRJCELPFACIBHP-UVCQAILXSA-N
InChIInChI=1S/C39H72O6/c1-4-7-10-13-16-17-18-19-20-21-24-26-29-32-38(41)44-35-36(45-3
9(42)33-30-27-23-15-12-9-6-3)34-43-37(40)31-28-25-22-14-11-8-5-2/h17-18,36H,4-16
,19-35H2,1-3H3/b18-17-/t36-/m1/s1
SMILESC(OC(=O)CCCCCCC/C=C\CCCCCC)[C@]([H])(OC(CCCCCCCCC)=O)COC(CCCCCCCCC)=O
MS Spectra-      Predict MS/MS spectrum ([M+NH4]+)
StatusActive (generated by computational methods)