In-Silico Structure Database (LMISSD)
Common Name
TG(20:2(11Z,14Z)/14:1(9Z)/13:0)
Systematic Name
1-(11Z,14Z-eicosadienoyl)-2-(9Z-tetradecenoyl)-3-tridecanoyl-sn-glycerol
LM ID
LMGL0301E68C
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)
MBUWHEQVQMOOFM-DBOVZLCLSA-N
InChi (Click to copy)
InChI=1S/C50H90O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-29-31-34-37-40-43-49(52)55-46-47(45-54-48(51)42-39-36-33-30-21-18-15-12-9-6-3)56-50(53)44-41-38-35-32-28-20-17-14-11-8-5-2/h14,16-17,19,23-24,47H,4-13,15,18,20-22,25-46H2,1-3H3/b17-14-,19-16-,24-23-/t47-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCC)[C@]([H])(OC(CCCCCCC/C=C\CCCC)=O)COC(CCCCCCCCC/C=C\C/C=C\CCCCC)=O