In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGL03049A18
Common NameTG(P-14:0/17:1(9Z)/16:1(9Z))
Systematic Name2-(9Z-heptadecenoyl)-3-(9Z-hexadecenoyl)-sn-glycerol
SynonymsTG(P-47:2); TG(P-14:0_16:1_17:1)
Exact Mass
772.6945 (neutral)    Calculate m/z:
FormulaC50H92O5
CategoryGlycerolipids [GL]
Main ClassTriradylglycerols [GL03]
Sub Class1Z-alkenyldiacylglycerols [GL0304]
PubChem Compound ID (CID)-
InChIKeyVCJVOOBIBQTUMU-KSNRABIFSA-N
InChIInChI=1S/C50H92O5/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-50(52)55-48(46-5
3-45-42-39-36-33-30-24-21-18-15-12-9-6-3)47-54-49(51)43-40-37-34-31-28-26-23-20-
17-14-11-8-5-2/h20,22-23,25,42,45,48H,4-19,21,24,26-41,43-44,46-47H2,1-3H3/b23-2
0-,25-22-,45-42-/t48-/m1/s1
SMILESC(OC(=O)CCCCCCC/C=C\CCCCCC)[C@]([H])(OC(CCCCCCC/C=C\CCCCCCC)=O)CO/C=C\CCCCCCCCCC
CC
MS Spectra-      Predict MS/MS spectrum ([M+NH4]+)
StatusActive (generated by computational methods)