In-Silico Structure Database (LMISSD)
Common Name
TG(22:1(13Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(2E,4E))
Systematic Name
1-(13Z-docosenoyl)-2-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-3-(2E,4E-octadecadienoyl)-sn-glycerol
LM ID
LMGL0301G7L7
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
986.830240
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
XVTLGWJGSBHJNC-JLUFNSBTSA-N
InChi (Click to copy)
InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,33,35,41,44,48,50-51,53-54,57,62H,4-16,18-19,21-24,27,30-32,34,36-40,42-43,45-47,49,52,55-56,58-61H2,1-3H3/b20-17-,28-25-,29-26-,35-33-,44-41-,51-48+,53-50-,57-54-/t62-/m0/s1
SMILES (Click to copy)
C(OC(=O)/C=C\C=C\CCCCCCCCCCCCC)[C@]([H])(OC(CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O)COC(CCCCCCCCCCC/C=C\CCCCCCCC)=O