In-Silico Structure Database (LMISSD)
Common Name
TG(20:3(8Z,11Z,14Z)/19:0/20:4(6E,8Z,11Z,14Z))
Systematic Name
1-(8Z,11Z,14Z-eicosatrienoyl)-2-nonadecanoyl-3-(6E,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycerol
LM ID
LMGL0301FO2J
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
946.798940
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
IUTJQYTXLSMCMH-UZTDNURMSA-N
InChi (Click to copy)
InChI=1S/C62H106O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-60(63)66-57-59(68-62(65)56-53-50-47-44-41-38-33-30-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,34-37,39,42,59H,4-15,18,21-24,27,30-33,38,40-41,43-58H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,36-34-,37-35-,42-39+/t59-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCCC/C=C/C=C\C/C=C\C/C=C\CCCCC)[C@]([H])(OC(CCCCCCCCCCCCCCCCCC)=O)COC(CCCCCC/C=C\C/C=C\C/C=C\CCCCC)=O