In-Silico Structure Database (LMISSD)
Common Name
TG(18:2(6Z,9Z)/20:3(5Z,8Z,11Z)/22:4(7Z,10Z,13Z,16Z))
Systematic Name
1-(6Z,9Z-octadecadienoyl)-2-(5Z,8Z,11Z-eicosatrienoyl)-3-(7Z,10Z,13Z,16Z-docosatetraenoyl)-sn-glycerol
LM ID
LMGL0301C1WO
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
956.783290
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
NIVNYXJPVYXENA-CJJPXTAUSA-N
InChi (Click to copy)
InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-29,31,33-34,36,38-41,43,45,48,60H,4-15,17-18,20-24,30,32,35,37,42,44,46-47,49-59H2,1-3H3/b19-16-,28-25-,29-26-,33-31-,34-27-,39-36-,41-38-,43-40-,48-45-/t60-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)[C@]([H])(OC(CCC/C=C\C/C=C\C/C=C\CCCCCCCC)=O)COC(CCCC/C=C\C/C=C\CCCCCCCC)=O