In-Silico Structure Database (LMISSD)
Common Name
TG(P-14:0/18:3(6Z,9Z,12Z)/20:4(7E,10E,13E,16E))
Systematic Name
2-(6Z,9Z,12Z-octadecatrienoyl)-3-(7E,10E,13E,16E-eicosatetraenoyl)-sn-glycerol
LM ID
LMGL03049B8T
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
832.694475
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
1Z-alkenyldiacylglycerols [GL0304]
String Representations
InChiKey (Click to copy)
TUXHMLXLFRJKAI-QAOPULKVSA-N
InChi (Click to copy)
InChI=1S/C55H92O5/c1-4-7-10-13-16-19-22-25-27-28-30-31-33-36-39-42-45-48-54(56)59-52-53(51-58-50-47-44-41-38-35-24-21-18-15-12-9-6-3)60-55(57)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h10,13,17,19-20,22,26-29,31,33-34,37,47,50,53H,4-9,11-12,14-16,18,21,23-25,30,32,35-36,38-46,48-49,51-52H2,1-3H3/b13-10+,20-17-,22-19+,28-27+,29-26-,33-31+,37-34-,50-47-/t53-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCC)[C@]([H])(OC(CCCC/C=C\C/C=C\C/C=C\CCCCC)=O)CO/C=C\CCCCCCCCCCCC