In-Silico Structure Database (LMISSD)
Common Name
TG(18:2(9E,11E)/24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z))
Systematic Name
1-(9E,11E-octadecadienoyl)-2-(15Z-tetracosenoyl)-3-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-sn-glycerol
LM ID
LMGL0301C8H7
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1014.861540
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
VABSSIBLXKHSBP-STILLOBCSA-N
InChi (Click to copy)
InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-29,34,36,38,42,45,64H,4-7,9-10,12-16,18-19,22-23,30-33,35,37,39-41,43-44,46-63H2,1-3H3/b11-8-,20-17-,24-21+,28-25-,29-26-,36-34-,38-27+,45-42-/t64-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)[C@]([H])(OC(CCCCCCCCCCCCC/C=C\CCCCCCCC)=O)COC(CCCCCCC/C=C/C=C/CCCCCC)=O