In-Silico Structure Database (LMISSD)
Common Name
TG(18:3(6Z,9Z,12Z)/18:0/11:0)
Systematic Name
1-(6Z,9Z,12Z-octadecatrienoyl)-2-octadecanoyl-3-undecanoyl-sn-glycerol
LM ID
LMGL0301DQNF
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
786.673740
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
QOBRHRDYCYNJRB-LKPAWICJSA-N
InChi (Click to copy)
InChI=1S/C50H90O6/c1-4-7-10-13-16-19-21-23-25-27-29-31-34-37-40-43-49(52)55-46-47(45-54-48(51)42-39-36-33-18-15-12-9-6-3)56-50(53)44-41-38-35-32-30-28-26-24-22-20-17-14-11-8-5-2/h16,19,23,25,29,31,47H,4-15,17-18,20-22,24,26-28,30,32-46H2,1-3H3/b19-16-,25-23-,31-29-/t47-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCC)[C@]([H])(OC(CCCCCCCCCCCCCCCCC)=O)COC(CCCC/C=C\C/C=C\C/C=C\CCCCC)=O