In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGL03049AAD
Common NameTG(P-14:0/10:0/13:0)
Systematic Name2-decanoyl-3-tridecanoyl-sn-glycerol
SynonymsTG(P-37:0); TG(P-14:0_10:0_13:0)
Exact Mass
636.5693 (neutral)    Calculate m/z:
FormulaC40H76O5
CategoryGlycerolipids [GL]
Main ClassTriradylglycerols [GL03]
Sub Class1Z-alkenyldiacylglycerols [GL0304]
PubChem Compound ID (CID)-
InChIKeyYRDWGPQZDOYNJG-TYKOLLBLSA-N
InChIInChI=1S/C40H76O5/c1-4-7-10-13-16-18-20-21-23-26-29-32-35-43-36-38(45-40(42)34-3
1-28-24-15-12-9-6-3)37-44-39(41)33-30-27-25-22-19-17-14-11-8-5-2/h32,35,38H,4-31
,33-34,36-37H2,1-3H3/b35-32-/t38-/m1/s1
SMILESC(OC(=O)CCCCCCCCCCCC)[C@]([H])(OC(CCCCCCCCC)=O)CO/C=C\CCCCCCCCCCCC
MS Spectra-      Predict MS/MS spectrum ([M+NH4]+)
StatusActive (generated by computational methods)