In-Silico Structure Database (LMISSD)
Common Name
TG(20:4(5E,8E,11E,14E)/32:0/31:0)
Systematic Name
1-(5E,8E,11E,14E-eicosatetraenoyl)-2-dotriacontanoyl-3-hentriacontanoyl-sn-glycerol
LM ID
LMGL0301FW05
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1289.221490
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
JGOCBDVIVHEISG-FOMPCSHWSA-N
InChi (Click to copy)
InChI=1S/C86H160O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-39-41-43-45-47-49-51-53-56-59-62-65-68-71-74-77-80-86(89)92-83(81-90-84(87)78-75-72-69-66-63-60-57-54-30-27-24-21-18-15-12-9-6-3)82-91-85(88)79-76-73-70-67-64-61-58-55-52-50-48-46-44-42-40-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h18,21,27,30,57,60,66,69,83H,4-17,19-20,22-26,28-29,31-56,58-59,61-65,67-68,70-82H2,1-3H3/b21-18+,30-27+,60-57+,69-66+/t83-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CCC/C=C/C/C=C/C/C=C/C/C=C/CCCCC)=O