In-Silico Structure Database (LMISSD)
Common Name
TG(26:0/15:1(9Z)/22:6(4Z,7Z,10Z,12E,16Z,19Z))
Systematic Name
1-hexacosanoyl-2-(9Z-pentadecenoyl)-3-(4Z,7Z,10Z,12E,16Z,19Z-docosahexaenoyl)-sn-glycerol
LM ID
LMGL0301IWAI
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1002.861540
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
HETIFLSURZWSRF-BJTICXJMSA-N
InChi (Click to copy)
InChI=1S/C66H114O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-33-34-36-38-40-42-45-47-50-53-56-59-65(68)71-62-63(72-66(69)60-57-54-51-48-43-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-44-41-39-37-35-30-28-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,28,30,35,37,41,44,49,52,63H,4-7,9-10,12-16,19,22-27,29,31-34,36,38-40,42-43,45-48,50-51,53-62H2,1-3H3/b11-8-,20-17-,21-18-,30-28+,37-35-,44-41-,52-49-/t63-/m0/s1
SMILES (Click to copy)
C(OC(=O)CC/C=C\C/C=C\C/C=C\C=C\CC/C=C\C/C=C\CC)[C@]([H])(OC(CCCCCCC/C=C\CCCCC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCC)=O