In-Silico Structure Database (LMISSD)
Common Name
TG(15:1(9Z)/18:2(9Z,11Z)/14:0)
Systematic Name
1-(9Z-pentadecenoyl)-2-(9Z,11Z-octadecadienoyl)-3-tetradecanoyl-sn-glycerol
LM ID
LMGL0301ADAH
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)
BUWUFXIOMSVZKY-QRCVUJILSA-N
InChi (Click to copy)
InChI=1S/C50H90O6/c1-4-7-10-13-16-19-22-24-25-26-29-32-35-38-41-44-50(53)56-47(45-54-48(51)42-39-36-33-30-27-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-28-23-20-17-14-11-8-5-2/h17,19-20,22,24-25,47H,4-16,18,21,23,26-46H2,1-3H3/b20-17-,22-19-,25-24-/t47-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCCC)[C@]([H])(OC(CCCCCCC/C=C\C=C/CCCCCC)=O)COC(CCCCCCC/C=C\CCCCC)=O