In-Silico Structure Database (LMISSD)
Common Name
TG(14:1(9Z)/20:2(5Z,8Z)/13:0)
Systematic Name
1-(9Z-tetradecenoyl)-2-(5Z,8Z-eicosadienoyl)-3-tridecanoyl-sn-glycerol
LM ID
LMGL030193HP
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)
WUPVBFYYWGCUAX-GLIYPZQMSA-N
InChi (Click to copy)
InChI=1S/C50H90O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-29-32-35-38-41-44-50(53)56-47(45-54-48(51)42-39-36-33-30-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-28-20-17-14-11-8-5-2/h14,17,26-27,32,35,47H,4-13,15-16,18-25,28-31,33-34,36-46H2,1-3H3/b17-14-,27-26-,35-32-/t47-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCC)[C@]([H])(OC(CCC/C=C\C/C=C\CCCCCCCCCCC)=O)COC(CCCCCCC/C=C\CCCC)=O