In-Silico Structure Database (LMISSD)
Common Name
TG(14:1(9Z)/20:4(7E,10E,13E,16E)/20:3(8Z,11Z,14Z))
Systematic Name
1-(9Z-tetradecenoyl)-2-(7E,10E,13E,16E-eicosatetraenoyl)-3-(8Z,11Z,14Z-eicosatrienoyl)-sn-glycerol
LM ID
LMGL03019309
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
874.705040
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
DHSYHTGMCUFDJX-IGWSHOCMSA-N
InChi (Click to copy)
InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h11,14-16,18-20,23-24,26-27,29-30,32-33,36,54H,4-10,12-13,17,21-22,25,28,31,34-35,37-53H2,1-3H3/b14-11+,18-15-,19-16-,23-20+,26-24-,29-27+,32-30-,36-33+/t54-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)[C@]([H])(OC(CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCC)=O)COC(CCCCCCC/C=C\CCCC)=O