In-Silico Structure Database (LMISSD)
Common Name
TG(P-14:0/22:6(4Z,7Z,10Z,12E,16Z,19Z)/20:4(5Z,8Z,10E,14Z))
Systematic Name
2-(4Z,7Z,10Z,12E,16Z,19Z-docosahexaenoyl)-3-(5Z,8Z,10E,14Z-eicosatetraenoyl)-sn-glycerol
LM ID
LMGL03049D09
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
882.710125
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
1Z-alkenyldiacylglycerols [GL0304]
String Representations
InChiKey (Click to copy)
RGTWUKAEKARGEQ-DPSNEUNKSA-N
InChi (Click to copy)
InChI=1S/C59H94O5/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-38-41-44-47-50-53-59(61)64-57(55-62-54-51-48-45-42-39-24-21-18-15-12-9-6-3)56-63-58(60)52-49-46-43-40-37-35-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,27-33,35-36,38,40,43-44,47,51,54,57H,4-6,8-9,11-15,18,21-26,34,37,39,41-42,45-46,48-50,52-53,55-56H2,1-3H3/b10-7-,19-16-,20-17-,29-27+,31-28+,32-30-,35-33-,38-36-,43-40-,47-44-,54-51-/t57-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCC/C=C\C/C=C\C=C\CC/C=C\CCCCC)[C@]([H])(OC(CC/C=C\C/C=C\C/C=C\C=C\CC/C=C\C/C=C\CC)=O)CO/C=C\CCCCCCCCCCCC