In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGL03049AA8
Common NameTG(P-14:0/10:0/19:0)
Systematic Name2-decanoyl-3-nonadecanoyl-sn-glycerol
SynonymsTG(P-43:0); TG(P-14:0_10:0_19:0)
Exact Mass
720.6632 (neutral)    Calculate m/z:
FormulaC46H88O5
CategoryGlycerolipids [GL]
Main ClassTriradylglycerols [GL03]
Sub Class1Z-alkenyldiacylglycerols [GL0304]
PubChem Compound ID (CID)-
InChIKeyZABGYORLKPMLDZ-IEOPZGHFSA-N
InChIInChI=1S/C46H88O5/c1-4-7-10-13-16-18-20-22-23-24-25-26-28-31-33-36-39-45(47)50-4
3-44(51-46(48)40-37-34-30-15-12-9-6-3)42-49-41-38-35-32-29-27-21-19-17-14-11-8-5
-2/h38,41,44H,4-37,39-40,42-43H2,1-3H3/b41-38-/t44-/m1/s1
SMILESC(OC(=O)CCCCCCCCCCCCCCCCCC)[C@]([H])(OC(CCCCCCCCC)=O)CO/C=C\CCCCCCCCCCCC
MS Spectra-      Predict MS/MS spectrum ([M+NH4]+)
StatusActive (generated by computational methods)