In-Silico Structure Database (LMISSD)
Common Name
TG(20:3(8Z,11Z,14Z)/17:2(9Z,12Z)/12:0)
Systematic Name
1-(8Z,11Z,14Z-eicosatrienoyl)-2-(9Z,12Z-heptadecadienoyl)-3-dodecanoyl-sn-glycerol
LM ID
LMGL0301FNOU
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
810.673740
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
GNCUUJQEVRVMCS-ZABUCMLOSA-N
InChi (Click to copy)
InChI=1S/C52H90O6/c1-4-7-10-13-16-19-21-23-25-26-27-29-30-33-36-39-42-45-51(54)57-48-49(47-56-50(53)44-41-38-35-32-18-15-12-9-6-3)58-52(55)46-43-40-37-34-31-28-24-22-20-17-14-11-8-5-2/h14,16-17,19,22-25,27,29,49H,4-13,15,18,20-21,26,28,30-48H2,1-3H3/b17-14-,19-16-,24-22-,25-23-,29-27-/t49-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCC)[C@]([H])(OC(CCCCCCC/C=C\C/C=C\CCCC)=O)COC(CCCCCC/C=C\C/C=C\C/C=C\CCCCC)=O