In-Silico Structure Database (LMISSD)
Common Name
TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/37:0/31:0)
Systematic Name
1-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-2-heptatriacontanoyl-3-hentriacontanoyl-sn-glycerol
LM ID
LMGL0301H423
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1383.299740
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
ZMGBOARUMNWTAB-INHPXMOWSA-N
InChi (Click to copy)
InChI=1S/C93H170O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-38-40-42-44-45-46-47-48-49-51-53-55-57-60-63-66-69-72-75-78-81-84-87-93(96)99-90(88-97-91(94)85-82-79-76-73-70-67-64-61-58-33-30-27-24-21-18-15-12-9-6-3)89-98-92(95)86-83-80-77-74-71-68-65-62-59-56-54-52-50-43-41-39-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,30,58,61,67,70,76,79,90H,4-8,10-11,13-17,19-20,22-26,28-29,31-57,59-60,62-66,68-69,71-75,77-78,80-89H2,1-3H3/b12-9-,21-18-,30-27-,61-58-,70-67-,79-76-/t90-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O