In-Silico Structure Database (LMISSD)
Common Name
TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/35:0/35:0)
Systematic Name
1-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-2-pentatriacontanoyl-3-pentatriacontanoyl-sn-glycerol
LM ID
LMGL0301H4YL
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1411.331040
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
FCCWWPJATPDLHP-XWQACODASA-N
InChi (Click to copy)
InChI=1S/C95H174O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-38-40-42-44-46-48-50-52-54-56-58-61-64-67-70-73-76-79-82-85-88-94(97)100-91-92(90-99-93(96)87-84-81-78-75-72-69-66-63-60-33-30-27-24-21-18-15-12-9-6-3)101-95(98)89-86-83-80-77-74-71-68-65-62-59-57-55-53-51-49-47-45-43-41-39-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,30,60,63,69,72,78,81,92H,4-8,10-11,13-17,19-20,22-26,28-29,31-59,61-62,64-68,70-71,73-77,79-80,82-91H2,1-3H3/b12-9-,21-18-,30-27-,63-60-,72-69-,81-78-/t92-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O