In-Silico Structure Database (LMISSD)
Common Name
TG(32:0/31:0/20:4(7E,10E,13E,16E))
Systematic Name
1-dotriacontanoyl-2-hentriacontanoyl-3-(7E,10E,13E,16E-eicosatetraenoyl)-sn-glycerol
LM ID
LMGL0301KHQC
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)
UKXJKJDYNAURRI-MWDAZYJQSA-N
InChi (Click to copy)
InChI=1S/C86H160O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-39-41-43-45-46-48-50-52-55-58-61-64-67-70-73-76-79-85(88)91-82-83(81-90-84(87)78-75-72-69-66-63-60-57-54-30-27-24-21-18-15-12-9-6-3)92-86(89)80-77-74-71-68-65-62-59-56-53-51-49-47-44-42-40-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h12,15,21,24,30,54,60,63,83H,4-11,13-14,16-20,22-23,25-29,31-53,55-59,61-62,64-82H2,1-3H3/b15-12+,24-21+,54-30+,63-60+/t83-/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(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O