In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGL03049AHX
Common NameTG(P-14:0/13:0/18:2(9E,11E))
Systematic Name2-tridecanoyl-3-(9E,11E-octadecadienoyl)-sn-glycerol
SynonymsTG(P-45:2); TG(P-14:0_13:0_18:2)
Exact Mass
744.6632 (neutral)    Calculate m/z:
FormulaC48H88O5
CategoryGlycerolipids [GL]
Main ClassTriradylglycerols [GL03]
Sub Class1Z-alkenyldiacylglycerols [GL0304]
PubChem Compound ID (CID)-
InChIKeyGJGDIQUTZWVGMZ-BIHLMQBLSA-N
InChIInChI=1S/C48H88O5/c1-4-7-10-13-16-19-22-24-25-26-27-30-32-35-38-41-47(49)52-45-4
6(53-48(50)42-39-36-33-29-21-18-15-12-9-6-3)44-51-43-40-37-34-31-28-23-20-17-14-
11-8-5-2/h19,22,24-25,40,43,46H,4-18,20-21,23,26-39,41-42,44-45H2,1-3H3/b22-19+,
25-24+,43-40-/t46-/m1/s1
SMILESC(OC(=O)CCCCCCC/C=C/C=C/CCCCCC)[C@]([H])(OC(CCCCCCCCCCCC)=O)CO/C=C\CCCCCCCCCCCC
MS Spectra-      Predict MS/MS spectrum ([M+NH4]+)
StatusActive (generated by computational methods)