In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGL03049GA1
Common NameTG(P-16:0/17:0/11:0)
Systematic Name1-(1Z-hexadecenyl)-2-heptadecanoyl-3-undecanoyl-sn-glycerol
SynonymsTG(P-44:0); TG(P-16:0_11:0_17:0)
Exact Mass
734.6788 (neutral)    Calculate m/z:
FormulaC47H90O5
CategoryGlycerolipids [GL]
Main ClassTriradylglycerols [GL03]
Sub Class1Z-alkenyldiacylglycerols [GL0304]
PubChem Compound ID (CID)-
InChIKeyFDIJUWQILKKMLD-WOXAINKGSA-N
InChIInChI=1S/C47H90O5/c1-4-7-10-13-16-19-21-23-25-27-29-32-35-38-41-47(49)52-45(44-5
1-46(48)40-37-34-31-18-15-12-9-6-3)43-50-42-39-36-33-30-28-26-24-22-20-17-14-11-
8-5-2/h39,42,45H,4-38,40-41,43-44H2,1-3H3/b42-39-/t45-/m1/s1
SMILESC(OC(=O)CCCCCCCCCC)[C@]([H])(OC(CCCCCCCCCCCCCCCC)=O)CO/C=C\CCCCCCCCCCCCCC
MS Spectra-      Predict MS/MS spectrum ([M+NH4]+)
StatusActive (generated by computational methods)