In-Silico Structure Database (LMISSD)
Common Name
TG(P-14:0/20:4(5Z,8Z,11Z,13E)/18:3(9Z,12Z,15Z))
Systematic Name
2-(5Z,8Z,11Z,13E-eicosatetraenoyl)-3-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycerol
LM ID
LMGL03049C87
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)
LWLWEEZINVNTPZ-CSHZBECFSA-N
InChi (Click to copy)
InChI=1S/C55H92O5/c1-4-7-10-13-16-19-22-25-27-28-30-32-34-37-40-43-46-49-55(57)60-53(51-58-50-47-44-41-38-35-24-21-18-15-12-9-6-3)52-59-54(56)48-45-42-39-36-33-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,19-20,22,25-27,29-30,32,37,40,47,50,53H,4-7,9-10,12-16,18,21,23-24,28,31,33-36,38-39,41-46,48-49,51-52H2,1-3H3/b11-8-,20-17-,22-19+,27-25-,29-26-,32-30-,40-37-,50-47-/t53-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)[C@]([H])(OC(CCC/C=C\C/C=C\C/C=C\C=C\CCCCCC)=O)CO/C=C\CCCCCCCCCCCC