In-Silico Structure Database (LMISSD)
Common Name
TG(14:1(9Z)/20:4(6E,8Z,11Z,14Z)/14:1(9Z))
Systematic Name
1,3-di-(9Z-tetradecenoyl)-2-(6E,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycerol
LM ID
LMGL030193XW
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
794.642440
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
HBRZULUWUGYGQJ-BQLDBCPISA-N
InChi (Click to copy)
InChI=1S/C51H86O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-30-33-36-39-42-45-51(54)57-48(46-55-49(52)43-40-37-34-31-28-20-17-14-11-8-5-2)47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3/h14-19,23-24,26-27,30,33,48H,4-13,20-22,25,28-29,31-32,34-47H2,1-3H3/b17-14-,18-15-,19-16-,24-23-,27-26-,33-30+
SMILES (Click to copy)
C(OC(=O)CCCCCCC/C=C\CCCC)[C@]([H])(OC(CCCC/C=C/C=C\C/C=C\C/C=C\CCCCC)=O)COC(CCCCCCC/C=C\CCCC)=O