In-Silico Structure Database (LMISSD)
Common Name
TG(20:4(5E,8E,11E,14E)/14:1(9Z)/14:1(9Z))
Systematic Name
1-(5E,8E,11E,14E-eicosatetraenoyl)-2-(9Z-tetradecenoyl)-3-(9Z-tetradecenoyl)-sn-glycerol
LM ID
LMGL0301FSHU
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
794.642440
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
TWQUNYQKSCIGGD-RADDCFCOSA-N
InChi (Click to copy)
InChI=1S/C51H86O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-30-32-35-38-41-44-50(53)56-47-48(57-51(54)45-42-39-36-33-29-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-28-20-17-14-11-8-5-2/h14-19,23-24,26-27,32,35,48H,4-13,20-22,25,28-31,33-34,36-47H2,1-3H3/b17-14-,18-15-,19-16+,24-23+,27-26+,35-32+/t48-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCC/C=C\CCCC)[C@]([H])(OC(CCCCCCC/C=C\CCCC)=O)COC(CCC/C=C/C/C=C/C/C=C/C/C=C/CCCCC)=O