In-Silico Structure Database (LMISSD)
Common Name
TG(16:1(7Z)/11:0/18:2(9Z,11Z))
Systematic Name
1-(7Z-hexadecenoyl)-2-undecanoyl-3-(9Z,11Z-octadecadienoyl)-sn-glycerol
LM ID
LMGL0301AL7M
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
758.642440
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
AGHQREHNMQYICP-NJGYXLGUSA-N
InChi (Click to copy)
InChI=1S/C48H86O6/c1-4-7-10-13-16-19-21-23-24-26-28-30-33-35-38-41-47(50)53-44-45(54-48(51)42-39-36-31-18-15-12-9-6-3)43-52-46(49)40-37-34-32-29-27-25-22-20-17-14-11-8-5-2/h19,21,23-25,27,45H,4-18,20,22,26,28-44H2,1-3H3/b21-19-,24-23-,27-25-/t45-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCC/C=C\C=C/CCCCCC)[C@]([H])(OC(CCCCCCCCCC)=O)COC(CCCCC/C=C\CCCCCCCC)=O