In-Silico Structure Database (LMISSD)
Common Name
TG(P-14:0/22:6(4Z,7Z,10Z,12E,16Z,19Z)/16:1(9Z))
Systematic Name
2-(4Z,7Z,10Z,12E,16Z,19Z-docosahexaenoyl)-3-(9Z-hexadecenoyl)-sn-glycerol
LM ID
LMGL03049D0A
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
832.694475
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
1Z-alkenyldiacylglycerols [GL0304]
String Representations
InChiKey (Click to copy)
YWHROOMXAFTNHE-BVPCBHOXSA-N
InChi (Click to copy)
InChI=1S/C55H92O5/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-32-34-37-40-43-46-49-55(57)60-53(51-58-50-47-44-41-38-35-24-21-18-15-12-9-6-3)52-59-54(56)48-45-42-39-36-33-31-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,26-29,32,34,40,43,47,50,53H,4-6,8-9,11-15,17-18,21-22,24-25,30-31,33,35-39,41-42,44-46,48-49,51-52H2,1-3H3/b10-7-,19-16-,23-20-,27-26+,29-28-,34-32-,43-40-,50-47-/t53-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCC/C=C\CCCCCC)[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