In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGL0304ACB1
Common NameTG(P-20:0/11:0/14:1(9Z))
Systematic Name1-(1Z-eicosenyl)-2-undecanoyl-3-(9Z-tetradecenoyl)-sn-glycerol
SynonymsTG(P-45:1); TG(P-20:0_11:0_14:1)
Exact Mass
746.6788 (neutral)    Calculate m/z:
FormulaC48H90O5
CategoryGlycerolipids [GL]
Main ClassTriradylglycerols [GL03]
Sub Class1Z-alkenyldiacylglycerols [GL0304]
PubChem Compound ID (CID)-
InChIKeyQXGIKGVCXYXPJU-AWQGOBLMSA-N
InChIInChI=1S/C48H90O5/c1-4-7-10-13-16-19-21-22-23-24-25-26-27-29-31-34-37-40-43-51-4
4-46(53-48(50)42-39-36-32-18-15-12-9-6-3)45-52-47(49)41-38-35-33-30-28-20-17-14-
11-8-5-2/h14,17,40,43,46H,4-13,15-16,18-39,41-42,44-45H2,1-3H3/b17-14-,43-40-/t4
6-/m1/s1
SMILESC(OC(=O)CCCCCCC/C=C\CCCC)[C@]([H])(OC(CCCCCCCCCC)=O)CO/C=C\CCCCCCCCCCCCCCCCCC
MS Spectra-      Predict MS/MS spectrum ([M+NH4]+)
StatusActive (generated by computational methods)