In-Silico Structure Database (LMISSD)
Common Name
TG(15:1(9Z)/14:0/18:2(9E,12E))
Systematic Name
1-(9Z-pentadecenoyl)-2-tetradecanoyl-3-(9E,12E-octadecadienoyl)-sn-glycerol
LM ID
LMGL0301ABRS
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)
KWIQLDAEOSKNRS-UIQAMJIPSA-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(56-50(53)44-41-38-35-32-27-21-18-15-12-9-6-3)45-54-48(51)42-39-36-33-30-28-23-20-17-14-11-8-5-2/h16-17,19-20,24-25,47H,4-15,18,21-23,26-46H2,1-3H3/b19-16+,20-17-,25-24+/t47-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCC/C=C/C/C=C/CCCCC)[C@]([H])(OC(CCCCCCCCCCCCC)=O)COC(CCCCCCC/C=C\CCCCC)=O