In-Silico Structure Database (LMISSD)
Common Name
TG(14:1(9Z)/13:0/13:0)
Systematic Name
1-(9Z-tetradecenoyl)-2-tridecanoyl-3-tridecanoyl-sn-glycerol
LM ID
LMGL03019013
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
692.595490
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
SPHJJUFQZAMDPU-WAPQGPAOSA-N
InChi (Click to copy)
InChI=1S/C43H80O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-42(45)48-39-40(49-43(46)37-34-31-28-24-21-18-15-12-9-6-3)38-47-41(44)35-32-29-26-23-20-17-14-11-8-5-2/h13,16,40H,4-12,14-15,17-39H2,1-3H3/b16-13-/t40-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCC)[C@]([H])(OC(CCCCCCCCCCCC)=O)COC(CCCCCCC/C=C\CCCC)=O