In-Silico Structure Database (LMISSD)
Common Name
TG(18:3(6Z,9Z,12Z)/13:0/16:0)
Systematic Name
1-(6Z,9Z,12Z-octadecatrienoyl)-2-tridecanoyl-3-hexadecanoyl-sn-glycerol
LM ID
LMGL0301DPX9
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)
OISMYHJSFMGKRM-SNLXWWRNSA-N
InChi (Click to copy)
InChI=1S/C50H90O6/c1-4-7-10-13-16-19-22-24-25-27-29-32-34-37-40-43-49(52)55-46-47(56-50(53)44-41-38-35-30-21-18-15-12-9-6-3)45-54-48(51)42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,24-25,29,32,47H,4-15,17-18,20-23,26-28,30-31,33-46H2,1-3H3/b19-16-,25-24-,32-29-/t47-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCCCCC)[C@]([H])(OC(CCCCCCCCCCCC)=O)COC(CCCC/C=C\C/C=C\C/C=C\CCCCC)=O