In-Silico Structure Database (LMISSD)
Common Name
TG(17:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:1(13Z))
Systematic Name
1-heptadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-3-(13Z-docosenoyl)-sn-glycerol
LM ID
LMGL0301A0KR
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
974.830240
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
JZTZHNWGTIRWQG-HCHYFEFCSA-N
InChi (Click to copy)
InChI=1S/C64H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28-29,33,35,40,43,49,52,61H,4-7,9-10,12-16,18-19,21-24,27,30-32,34,36-39,41-42,44-48,50-51,53-60H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,35-33-,43-40-,52-49-/t61-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)[C@]([H])(OC(CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O)COC(CCCCCCCCCCCCCCCC)=O