In-Silico Structure Database (LMISSD)
Common Name
TG(20:4(5E,8E,11E,14E)/20:4(5E,8E,11E,14E)/20:4(5E,8E,11E,14E))
Systematic Name
1,2,3-tri-(5E,8E,11E,14E-eicosatetraenoyl)-sn-glycerol
LM ID
LMGL0301FU0U
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
950.736340
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
HYVJNYYVNIYMDK-PUFGHQDHSA-N
InChi (Click to copy)
InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,34-39,43-48,60H,4-15,22-24,31-33,40-42,49-59H2,1-3H3/b19-16+,20-17+,21-18+,28-25+,29-26+,30-27+,37-34+,38-35+,39-36+,46-43+,47-44+,48-45+
SMILES (Click to copy)
C(OC(=O)CCC/C=C/C/C=C/C/C=C/C/C=C/CCCCC)[C@]([H])(OC(CCC/C=C/C/C=C/C/C=C/C/C=C/CCCCC)=O)COC(CCC/C=C/C/C=C/C/C=C/C/C=C/CCCCC)=O