In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGL03049L2L
Common NameTG(P-16:1(11Z)/18:1(17Z)/13:0)
Systematic Name1-(1Z,11Z-hexadecadienyl)-2-(13Z-octadecenoyl)-3-tridecanoyl-sn-glycerol
SynonymsTG(P-47:2); TG(P-16:1_13:0_18:1)
Exact Mass
772.6945 (neutral)    Calculate m/z:
FormulaC50H92O5
CategoryGlycerolipids [GL]
Main ClassTriradylglycerols [GL03]
Sub Class1Z-alkenyldiacylglycerols [GL0304]
PubChem Compound ID (CID)-
InChIKeyLLSTZPQOOHIXHD-SXYLGSJGSA-N
InChIInChI=1S/C50H92O5/c1-4-7-10-13-16-19-22-24-26-27-29-32-35-38-41-44-50(52)55-48(4
7-54-49(51)43-40-37-34-31-21-18-15-12-9-6-3)46-53-45-42-39-36-33-30-28-25-23-20-
17-14-11-8-5-2/h4,14,17,42,45,48H,1,5-13,15-16,18-41,43-44,46-47H2,2-3H3/b17-14-
,45-42-/t48-/m1/s1
SMILESC(OC(=O)CCCCCCCCCCCC)[C@]([H])(OC(CCCCCCCCCCCCCCCC=C)=O)CO/C=C\CCCCCCCC/C=C\CCCC
MS Spectra-      Predict MS/MS spectrum ([M+NH4]+)
StatusActive (generated by computational methods)