In-Silico Structure Database (LMISSD)
Common Name
TG(31:0/22:6(4Z,7Z,10Z,12E,16Z,19Z)/31:0)
Systematic Name
1,3-di-hentriacontanoyl-2-(4Z,7Z,10Z,12E,16Z,19Z-docosahexaenoyl)-sn-glycerol
LM ID
LMGL0301KBES
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1299.205840
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
HWWNAYRZOADKRQ-GVCMQKTDSA-N
InChi (Click to copy)
InChI=1S/C87H158O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-38-40-42-44-46-48-50-53-55-58-61-64-67-70-73-76-79-85(88)91-82-84(93-87(90)81-78-75-72-69-66-63-60-57-52-33-30-27-24-21-18-15-12-9-6-3)83-92-86(89)80-77-74-71-68-65-62-59-56-54-51-49-47-45-43-41-39-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,30,33,52,57,63,66,72,75,84H,4-8,10-11,13-17,19-20,22-29,31-32,34-51,53-56,58-62,64-65,67-71,73-74,76-83H2,1-3H3/b12-9-,21-18-,33-30+,57-52-,66-63-,75-72-
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)[C@]([H])(OC(CC/C=C\C/C=C\C/C=C\C=C\CC/C=C\C/C=C\CC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O