In-Silico Structure Database (LMISSD)
Common Name
TG(30:0/24:4(5Z,8Z,11Z,14Z)/29:0)
Systematic Name
1-triacontanoyl-2-(5Z,8Z,11Z,14Z-tetracosatetraenoyl)-3-nonacosanoyl-sn-glycerol
LM ID
LMGL0301J6EW
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1289.221490
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
QEBVBTPMAOKGAW-BLVKVXOWSA-N
InChi (Click to copy)
InChI=1S/C86H160O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-39-41-43-45-47-50-52-55-58-61-64-67-70-73-76-79-85(88)91-82-83(92-86(89)80-77-74-71-68-65-62-59-56-53-48-36-33-30-27-24-21-18-15-12-9-6-3)81-90-84(87)78-75-72-69-66-63-60-57-54-51-49-46-44-42-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h30,33,48,53,59,62,68,71,83H,4-29,31-32,34-47,49-52,54-58,60-61,63-67,69-70,72-82H2,1-3H3/b33-30-,53-48-,62-59-,71-68-/t83-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCC)[C@]([H])(OC(CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O