In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGL03049C1F
Common NameTG(P-14:0/20:3(8Z,11Z,14Z)/10:0)
Systematic Name2-(8Z,11Z,14Z-eicosatrienoyl)-3-decanoyl-sn-glycerol
SynonymsTG(P-44:3); TG(P-14:0_10:0_20:3)
Exact Mass
728.6319 (neutral)    Calculate m/z:
FormulaC47H84O5
CategoryGlycerolipids [GL]
Main ClassTriradylglycerols [GL03]
Sub Class1Z-alkenyldiacylglycerols [GL0304]
PubChem Compound ID (CID)-
InChIKeyYRRLPLSTOUMELI-KTXKHCSOSA-N
InChIInChI=1S/C47H84O5/c1-4-7-10-13-16-18-20-22-23-24-25-26-27-29-32-35-38-41-47(49)5
2-45(44-51-46(48)40-37-34-31-15-12-9-6-3)43-50-42-39-36-33-30-28-21-19-17-14-11-
8-5-2/h16,18,22-23,25-26,39,42,45H,4-15,17,19-21,24,27-38,40-41,43-44H2,1-3H3/b1
8-16-,23-22-,26-25-,42-39-/t45-/m1/s1
SMILESC(OC(=O)CCCCCCCCC)[C@]([H])(OC(CCCCCC/C=C\C/C=C\C/C=C\CCCCC)=O)CO/C=C\CCCCCCCCCC
CC
MS Spectra-      Predict MS/MS spectrum ([M+NH4]+)
StatusActive (generated by computational methods)