In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGL03049MIO
Common NameTG(P-16:1(11Z)/18:2(6Z,9Z)/11:0)
Systematic Name1-(1Z,11Z-hexadecadienyl)-2-(6Z,9Z-octadecadienoyl)-3-undecanoyl-sn-glycerol
SynonymsTG(P-45:3); TG(P-16:1_11:0_18:2)
Exact Mass
742.6475 (neutral)    Calculate m/z:
FormulaC48H86O5
CategoryGlycerolipids [GL]
Main ClassTriradylglycerols [GL03]
Sub Class1Z-alkenyldiacylglycerols [GL0304]
PubChem Compound ID (CID)-
InChIKeyDVCNOQPMLDKSOO-ZVJYZKNKSA-N
InChIInChI=1S/C48H86O5/c1-4-7-10-13-16-19-21-23-25-26-28-30-33-36-39-42-48(50)53-46(4
5-52-47(49)41-38-35-32-18-15-12-9-6-3)44-51-43-40-37-34-31-29-27-24-22-20-17-14-
11-8-5-2/h14,17,23,25,28,30,40,43,46H,4-13,15-16,18-22,24,26-27,29,31-39,41-42,4
4-45H2,1-3H3/b17-14-,25-23-,30-28-,43-40-/t46-/m1/s1
SMILESC(OC(=O)CCCCCCCCCC)[C@]([H])(OC(CCCC/C=C\C/C=C\CCCCCCCC)=O)CO/C=C\CCCCCCCC/C=C\C
CCC
MS Spectra-      Predict MS/MS spectrum ([M+NH4]+)
StatusActive (generated by computational methods)