In-Silico Structure Database (LMISSD)
Common Name
TG(15:1(9Z)/18:2(2E,4E)/16:1(7Z))
Systematic Name
1-(9Z-pentadecenoyl)-2-(2E,4E-octadecadienoyl)-3-(7Z-hexadecenoyl)-sn-glycerol
LM ID
LMGL0301AC1E
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
812.689390
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
BELMHAMCIBKEAO-JOXWDAAGSA-N
InChi (Click to copy)
InChI=1S/C52H92O6/c1-4-7-10-13-16-19-22-25-26-28-31-34-37-40-43-46-52(55)58-49(47-56-50(53)44-41-38-35-32-29-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h18,21,27,30,37,40,43,46,49H,4-17,19-20,22-26,28-29,31-36,38-39,41-42,44-45,47-48H2,1-3H3/b21-18-,30-27-,40-37+,46-43+/t49-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCC/C=C\CCCCCCCC)[C@]([H])(OC(/C=C/C=C/CCCCCCCCCCCCC)=O)COC(CCCCCCC/C=C\CCCCC)=O