In-Silico Structure Database (LMISSD)
Common Name
TG(17:2(9Z,12Z)/14:0/16:1(9Z))
Systematic Name
1-(9Z,12Z-heptadecadienoyl)-2-tetradecanoyl-3-(9Z-hexadecenoyl)-sn-glycerol
LM ID
LMGL0301A7NH
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)
KDIBINLGFDWODO-UPJIIIFWSA-N
InChi (Click to copy)
InChI=1S/C50H90O6/c1-4-7-10-13-16-19-22-24-26-29-31-34-37-40-43-49(52)55-46-47(56-50(53)44-41-38-35-32-27-21-18-15-12-9-6-3)45-54-48(51)42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h13,16,20,22-24,47H,4-12,14-15,17-19,21,25-46H2,1-3H3/b16-13-,23-20-,24-22-/t47-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCC/C=C\CCCCCC)[C@]([H])(OC(CCCCCCCCCCCCC)=O)COC(CCCCCCC/C=C\C/C=C\CCCC)=O