In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGL03049FZK
Common NameTG(P-16:0/15:0/13:0)
Systematic Name1-(1Z-hexadecenyl)-2-pentadecanoyl-3-tridecanoyl-sn-glycerol
SynonymsTG(P-44:0); TG(P-16:0_13:0_15:0)
Exact Mass
734.6788 (neutral)    Calculate m/z:
FormulaC47H90O5
CategoryGlycerolipids [GL]
Main ClassTriradylglycerols [GL03]
Sub Class1Z-alkenyldiacylglycerols [GL0304]
PubChem Compound ID (CID)-
InChIKeyYLGKESBNCAMUEN-WOXAINKGSA-N
InChIInChI=1S/C47H90O5/c1-4-7-10-13-16-19-22-24-25-27-30-33-36-39-42-50-43-45(44-51-4
6(48)40-37-34-31-28-21-18-15-12-9-6-3)52-47(49)41-38-35-32-29-26-23-20-17-14-11-
8-5-2/h39,42,45H,4-38,40-41,43-44H2,1-3H3/b42-39-/t45-/m1/s1
SMILESC(OC(=O)CCCCCCCCCCCC)[C@]([H])(OC(CCCCCCCCCCCCCC)=O)CO/C=C\CCCCCCCCCCCCCC
MS Spectra-      Predict MS/MS spectrum ([M+NH4]+)
StatusActive (generated by computational methods)