In-Silico Structure Database (LMISSD)
Common Name
TG(11:0/16:1(7Z)/18:2(9E,12E))
Systematic Name
1-undecanoyl-2-(7Z-hexadecenoyl)-3-(9E,12E-octadecadienoyl)-sn-glycerol
LM ID
LMGL03019F65
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)
CXVNNMNUFUQLTA-ZCDYKOCYSA-N
InChi (Click to copy)
InChI=1S/C48H86O6/c1-4-7-10-13-16-19-21-23-24-26-27-29-32-35-38-41-47(50)53-44-45(43-52-46(49)40-37-34-31-18-15-12-9-6-3)54-48(51)42-39-36-33-30-28-25-22-20-17-14-11-8-5-2/h16,19,23-25,28,45H,4-15,17-18,20-22,26-27,29-44H2,1-3H3/b19-16+,24-23+,28-25-/t45-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCC/C=C/C/C=C/CCCCC)[C@]([H])(OC(CCCCC/C=C\CCCCCCCC)=O)COC(CCCCCCCCCC)=O