In-Silico Structure Database (LMISSD)
Common Name
TG(20:4(5E,8E,11E,14E)/16:1(9Z)/24:4(5Z,8Z,11Z,14Z))
Systematic Name
1-(5E,8E,11E,14E-eicosatetraenoyl)-2-(9Z-hexadecenoyl)-3-(5Z,8Z,11Z,14Z-tetracosatetraenoyl)-sn-glycerol
LM ID
LMGL0301FSUZ
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)
IPEBZDZURIQCDE-RSEZYMCASA-N
InChi (Click to copy)
InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-39-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-38-35-33-28-26-23-20-17-14-11-8-5-2/h17,20-21,24,26-29,31-32,35-36,38-39,43-44,46-47,60H,4-16,18-19,22-23,25,30,33-34,37,40-42,45,48-59H2,1-3H3/b20-17+,24-21-,28-26+,29-27-,32-31-,38-35+,39-36-,46-43+,47-44-/t60-/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(CCCCCCC/C=C\CCCCCC)=O)COC(CCC/C=C/C/C=C/C/C=C/C/C=C/CCCCC)=O