In-Silico Structure Database (LMISSD)
Common Name
TG(20:4(5Z,8Z,11Z,14Z)/13:0/15:0)
Systematic Name
1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-2-tridecanoyl-3-pentadecanoyl-sn-glycerol
LM ID
LMGL0301F8BC
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
798.673740
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
JDYQVUGCLGBJOY-JYAKNRHXSA-N
InChi (Click to copy)
InChI=1S/C51H90O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-30-33-35-38-41-44-50(53)56-47-48(57-51(54)45-42-39-36-31-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-32-29-23-20-17-14-11-8-5-2/h16,19,24-25,27-28,33,35,48H,4-15,17-18,20-23,26,29-32,34,36-47H2,1-3H3/b19-16-,25-24-,28-27-,35-33-/t48-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCCCC)[C@]([H])(OC(CCCCCCCCCCCC)=O)COC(CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O