In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGL03049LOO
Common NameTG(P-16:1(11Z)/17:1(9Z)/10:0)
Systematic Name1-(1Z,11Z-hexadecadienyl)-2-(9Z-heptadecenoyl)-3-decanoyl-sn-glycerol
SynonymsTG(P-43:2); TG(P-16:1_10:0_17:1)
Exact Mass
716.6319 (neutral)    Calculate m/z:
FormulaC46H84O5
CategoryGlycerolipids [GL]
Main ClassTriradylglycerols [GL03]
Sub Class1Z-alkenyldiacylglycerols [GL0304]
PubChem Compound ID (CID)-
InChIKeyACPGODWAEMEYCK-ICJZDMLYSA-N
InChIInChI=1S/C46H84O5/c1-4-7-10-13-16-18-20-22-24-26-28-31-34-37-40-46(48)51-44(43-5
0-45(47)39-36-33-30-15-12-9-6-3)42-49-41-38-35-32-29-27-25-23-21-19-17-14-11-8-5
-2/h14,17,20,22,38,41,44H,4-13,15-16,18-19,21,23-37,39-40,42-43H2,1-3H3/b17-14-,
22-20-,41-38-/t44-/m1/s1
SMILESC(OC(=O)CCCCCCCCC)[C@]([H])(OC(CCCCCCC/C=C\CCCCCCC)=O)CO/C=C\CCCCCCCC/C=C\CCCC
MS Spectra-      Predict MS/MS spectrum ([M+NH4]+)
StatusActive (generated by computational methods)