In-Silico Structure Database (LMISSD)
Common Name
TG(20:4(5Z,8Z,11Z,13E)/20:1(11Z)/20:4(5E,8E,11E,14E))
Systematic Name
1-(5Z,8Z,11Z,13E-eicosatetraenoyl)-2-(11Z-eicosenoyl)-3-(5E,8E,11E,14E-eicosatetraenoyl)-sn-glycerol
LM ID
LMGL0301F47F
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)
HIAIWVJVCHYKBS-ZWEHZMCJSA-N
InChi (Click to copy)
InChI=1S/C63H104O6/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/h16,19-20,23,25-30,34-35,37-38,43-44,46-47,60H,4-15,17-18,21-22,24,31-33,36,39-42,45,48-59H2,1-3H3/b19-16+,23-20+,28-25+,29-26-,30-27-,37-34+,38-35-,46-43+,47-44-/t60-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCC/C=C/C/C=C/C/C=C/C/C=C/CCCCC)[C@]([H])(OC(CCCCCCCCC/C=C\CCCCCCCC)=O)COC(CCC/C=C\C/C=C\C/C=C\C=C\CCCCCC)=O