In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGL03049ADG
Common NameTG(P-14:0/11:0/18:3(9Z,12Z,15Z))
Systematic Name2-undecanoyl-3-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycerol
SynonymsTG(P-43:3); TG(P-14:0_11:0_18:3)
Exact Mass
714.6162 (neutral)    Calculate m/z:
FormulaC46H82O5
CategoryGlycerolipids [GL]
Main ClassTriradylglycerols [GL03]
Sub Class1Z-alkenyldiacylglycerols [GL0304]
PubChem Compound ID (CID)-
InChIKeyHCSBCKDRFKNHBZ-XJWIRATQSA-N
InChIInChI=1S/C46H82O5/c1-4-7-10-13-16-19-21-23-24-25-26-28-31-33-36-39-45(47)50-43-4
4(51-46(48)40-37-34-30-18-15-12-9-6-3)42-49-41-38-35-32-29-27-22-20-17-14-11-8-5
-2/h7,10,16,19,23-24,38,41,44H,4-6,8-9,11-15,17-18,20-22,25-37,39-40,42-43H2,1-3
H3/b10-7-,19-16-,24-23-,41-38-/t44-/m1/s1
SMILESC(OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)[C@]([H])(OC(CCCCCCCCCC)=O)CO/C=C\CCCCCCCCCCC
C
MS Spectra-      Predict MS/MS spectrum ([M+NH4]+)
StatusActive (generated by computational methods)