In-Silico Structure Database (LMISSD)
Common Name
TG(17:2(9Z,12Z)/12:0/20:3(5Z,8Z,11Z))
Systematic Name
1-(9Z,12Z-heptadecadienoyl)-2-dodecanoyl-3-(5Z,8Z,11Z-eicosatrienoyl)-sn-glycerol
LM ID
LMGL0301A7JR
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)
PMABKSFYNCSMPP-VDTWWULMSA-N
InChi (Click to copy)
InChI=1S/C52H90O6/c1-4-7-10-13-16-19-21-23-25-26-27-29-31-34-36-39-42-45-51(54)57-48-49(58-52(55)46-43-40-37-32-18-15-12-9-6-3)47-56-50(53)44-41-38-35-33-30-28-24-22-20-17-14-11-8-5-2/h14,17,22-25,27,29,34,36,49H,4-13,15-16,18-21,26,28,30-33,35,37-48H2,1-3H3/b17-14-,24-22-,25-23-,29-27-,36-34-/t49-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC)[C@]([H])(OC(CCCCCCCCCCC)=O)COC(CCCCCCC/C=C\C/C=C\CCCC)=O