In-Silico Structure Database (LMISSD)
Common Name
TG(P-18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/12:0)
Systematic Name
1-(1Z,9Z-octadecadienyl)-2-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-3-dodecanoyl-sn-glycerol
LM ID
LMGL0304993M
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
806.678825
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
1Z-alkenyldiacylglycerols [GL0304]
String Representations
InChiKey (Click to copy)
KYPUQAUGDOCHOF-AOJGVPOVSA-N
InChi (Click to copy)
InChI=1S/C53H90O5/c1-4-7-10-13-16-19-21-23-25-27-28-30-32-35-38-41-44-47-53(55)58-51(50-57-52(54)46-43-40-37-34-18-15-12-9-6-3)49-56-48-45-42-39-36-33-31-29-26-24-22-20-17-14-11-8-5-2/h7,10,16,19,23-26,28,30,35,38,45,48,51H,4-6,8-9,11-15,17-18,20-22,27,29,31-34,36-37,39-44,46-47,49-50H2,1-3H3/b10-7-,19-16-,25-23-,26-24-,30-28-,38-35-,48-45-/t51-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCC)[C@]([H])(OC(CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O)CO/C=C\CCCCCC/C=C\CCCCCCCC