In-Silico Structure Database (LMISSD)
Common Name
TG(18:1(11E)/15:1(9Z)/14:1(9Z))
Systematic Name
1-(11E-octadecenoyl)-2-(9Z-pentadecenoyl)-3-(9Z-tetradecenoyl)-sn-glycerol
LM ID
LMGL0301BIGZ
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)
WDYRFQNKDDQHDV-GPCYLALTSA-N
InChi (Click to copy)
InChI=1S/C50H90O6/c1-4-7-10-13-16-19-22-24-25-26-29-31-34-37-40-43-49(52)55-46-47(45-54-48(51)42-39-36-33-30-27-21-18-15-12-9-6-3)56-50(53)44-41-38-35-32-28-23-20-17-14-11-8-5-2/h15,17-20,22,47H,4-14,16,21,23-46H2,1-3H3/b18-15-,20-17-,22-19+/t47-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCC/C=C\CCCC)[C@]([H])(OC(CCCCCCC/C=C\CCCCC)=O)COC(CCCCCCCCC/C=C/CCCCCC)=O