In-Silico Structure Database (LMISSD)
Common Name
TG(20:1(13Z)/26:2(5E,9Z)/24:4(5Z,8Z,11Z,14Z))
Systematic Name
1-(13Z-eicosenoyl)-2-(5Z,9E-hexacosadienoyl)-3-(5Z,8Z,11Z,14Z-tetracosatetraenoyl)-sn-glycerol
LM ID
LMGL0301E5XL
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1100.971090
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
DGANTALROWIDDX-OQFXIQQDSA-N
InChi (Click to copy)
InChI=1S/C73H128O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-36-38-40-43-46-49-52-55-58-61-64-67-73(76)79-70(68-77-71(74)65-62-59-56-53-50-47-44-41-30-27-24-21-18-15-12-9-6-3)69-78-72(75)66-63-60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h21,24,29,32,37,39,43,45-46,48,54-55,57-58,70H,4-20,22-23,25-28,30-31,33-36,38,40-42,44,47,49-53,56,59-69H2,1-3H3/b24-21-,32-29-,39-37-,46-43-,48-45-,57-54-,58-55+/t70-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCC)[C@]([H])(OC(CCC/C=C/CC/C=C\CCCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCC/C=C\CCCCCC)=O