In-Silico Structure Database (LMISSD)
Common Name
TG(29:0/38:0/22:6(4Z,7Z,10Z,12E,16Z,19Z))
Systematic Name
1-nonacosanoyl-2-octatriacontanoyl-3-(4Z,7Z,10Z,12E,16Z,19Z-docosahexaenoyl)-sn-glycerol
LM ID
LMGL0301J18N
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1369.284090
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
KKEWTIGYVQTROP-HTJVEAIJSA-N
InChi (Click to copy)
InChI=1S/C92H168O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-38-40-42-43-44-45-46-47-48-49-50-52-54-56-59-62-65-68-71-74-77-80-83-86-92(95)98-89(87-96-90(93)84-81-78-75-72-69-66-63-60-57-33-30-27-24-21-18-15-12-9-6-3)88-97-91(94)85-82-79-76-73-70-67-64-61-58-55-53-51-41-39-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,30,33,57,60,66,69,75,78,89H,4-8,10-11,13-17,19-20,22-29,31-32,34-56,58-59,61-65,67-68,70-74,76-77,79-88H2,1-3H3/b12-9-,21-18-,33-30+,60-57-,69-66-,78-75-/t89-/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(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O