In-Silico Structure Database (LMISSD)
Common Name
TG(18:1(4E)/26:2(5Z,9Z)/38:0)
Systematic Name
1-(4E-octadecenoyl)-2-(5Z,9Z-hexacosadienoyl)-3-octatriacontanoyl-sn-glycerol
LM ID
LMGL0301B7RH
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1277.221490
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
QWXSJRYPJAYDFT-ZZCHPCMDSA-N
InChi (Click to copy)
InChI=1S/C85H160O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-37-38-39-40-41-42-43-44-45-46-47-49-50-52-54-57-60-63-66-69-72-75-78-84(87)90-81-82(80-89-83(86)77-74-71-68-65-62-59-56-27-24-21-18-15-12-9-6-3)91-85(88)79-76-73-70-67-64-61-58-55-53-51-48-35-33-31-29-26-23-20-17-14-11-8-5-2/h55,58,67-68,70-71,82H,4-54,56-57,59-66,69,72-81H2,1-3H3/b58-55-,70-67-,71-68+/t82-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)[C@]([H])(OC(CCC/C=C\CC/C=C\CCCCCCCCCCCCCCCC)=O)COC(CC/C=C/CCCCCCCCCCCCC)=O