In-Silico Structure Database (LMISSD)
Common Name
TG(17:2(9Z,12Z)/16:0/14:1(9Z))
Systematic Name
1-(9Z,12Z-heptadecadienoyl)-2-hexadecanoyl-3-(9Z-tetradecenoyl)-sn-glycerol
LM ID
LMGL0301A7WK
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
786.673740
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
QLGYRHAWTPEWDV-QICBKMFQSA-N
InChi (Click to copy)
InChI=1S/C50H90O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-49(52)55-46-47(45-54-48(51)42-39-36-33-30-27-21-18-15-12-9-6-3)56-50(53)44-41-38-35-32-29-25-23-20-17-14-11-8-5-2/h13,15-16,18,22,24,47H,4-12,14,17,19-21,23,25-46H2,1-3H3/b16-13-,18-15-,24-22-/t47-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCC/C=C\CCCC)[C@]([H])(OC(CCCCCCCCCCCCCCC)=O)COC(CCCCCCC/C=C\C/C=C\CCCC)=O