In-Silico Structure Database (LMISSD)
Common Name
TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/17:0/22:1(13Z))
Systematic Name
1-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-2-heptadecanoyl-3-(13Z-docosenoyl)-sn-glycerol
LM ID
LMGL0301H0NF
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
974.830240
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
ZIFBZJYRWKIIRZ-NQVRPZBOSA-N
InChi (Click to copy)
InChI=1S/C64H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-39-41-44-47-50-53-56-62(65)68-59-61(70-64(67)58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-40-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,32,34,39,41,47,50,61H,4-6,8-9,11-15,17-18,20-24,27,30-31,33,35-38,40,42-46,48-49,51-60H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,34-32-,41-39-,50-47-/t61-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)[C@]([H])(OC(CCCCCCCCCCCCCCCC)=O)COC(CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O