In-Silico Structure Database (LMISSD)
Common Name
TG(13:0/20:4(7E,10E,13E,16E)/15:0)
Systematic Name
1-tridecanoyl-2-(7E,10E,13E,16E-eicosatetraenoyl)-3-pentadecanoyl-sn-glycerol
LM ID
LMGL03019TDI
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)
FFFXKJJIDJHCLS-LBODGBLASA-N
InChi (Click to copy)
InChI=1S/C51H90O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-30-33-36-39-42-45-51(54)57-48(46-55-49(52)43-40-37-34-31-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-29-23-20-17-14-11-8-5-2/h10,13,19,22,25-26,28,30,48H,4-9,11-12,14-18,20-21,23-24,27,29,31-47H2,1-3H3/b13-10+,22-19+,26-25+,30-28+/t48-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCCCC)[C@]([H])(OC(CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCC)=O)COC(CCCCCCCCCCCC)=O