In-Silico Structure Database (LMISSD)
Common Name
TG(22:2(13Z,16Z)/18:3(6Z,9Z,12Z)/20:4(7E,10E,13E,16E))
Systematic Name
1-(13Z,16Z-docosadienoyl)-2-(6Z,9Z,12Z-octadecatrienoyl)-3-(7E,10E,13E,16E-eicosatetraenoyl)-sn-glycerol
LM ID
LMGL0301HBAB
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)
OYVYADBMLYICIW-GKMXZOKTSA-N
InChi (Click to copy)
InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h11,14,16,18-21,23,25,27-29,32,34,37,40,42,45,60H,4-10,12-13,15,17,22,24,26,30-31,33,35-36,38-39,41,43-44,46-59H2,1-3H3/b14-11+,19-16-,21-18-,23-20+,28-25-,32-29+,34-27-,40-37+,45-42-/t60-/m0/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)COC(CCCCCCCCCCC/C=C\C/C=C\CCCCC)=O