In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGL03049ABJ
Common NameTG(P-14:0/10:0/20:4(5Z,8Z,10E,14Z))
Systematic Name2-decanoyl-3-(5Z,8Z,10E,14Z-eicosatetraenoyl)-sn-glycerol
SynonymsTG(P-44:4); TG(P-14:0_10:0_20:4)
Exact Mass
726.6162 (neutral)    Calculate m/z:
FormulaC47H82O5
CategoryGlycerolipids [GL]
Main ClassTriradylglycerols [GL03]
Sub Class1Z-alkenyldiacylglycerols [GL0304]
PubChem Compound ID (CID)-
InChIKeyDOJWQELATFUZCB-VWLYPOSHSA-N
InChIInChI=1S/C47H82O5/c1-4-7-10-13-16-18-20-22-23-24-25-26-27-29-32-34-37-40-46(48)5
1-44-45(52-47(49)41-38-35-31-15-12-9-6-3)43-50-42-39-36-33-30-28-21-19-17-14-11-
8-5-2/h16,18,23-26,29,32,39,42,45H,4-15,17,19-22,27-28,30-31,33-38,40-41,43-44H2
,1-3H3/b18-16-,24-23+,26-25-,32-29-,42-39-/t45-/m1/s1
SMILESC(OC(=O)CCC/C=C\C/C=C\C=C\CC/C=C\CCCCC)[C@]([H])(OC(CCCCCCCCC)=O)CO/C=C\CCCCCCCC
CCCC
MS Spectra-      Predict MS/MS spectrum ([M+NH4]+)
StatusActive (generated by computational methods)