In-Silico Structure Database (LMISSD)
Common Name
TG(12:0/20:3(8Z,11Z,14Z)/16:1(7Z))
Systematic Name
1-dodecanoyl-2-(8Z,11Z,14Z-eicosatrienoyl)-3-(7Z-hexadecenoyl)-sn-glycerol
LM ID
LMGL03019NOE
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
798.673740
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
JXLYCHHUMRVXIT-GQNRAEIWSA-N
InChi (Click to copy)
InChI=1S/C51H90O6/c1-4-7-10-13-16-19-21-23-24-25-26-28-30-33-36-39-42-45-51(54)57-48(46-55-49(52)43-40-37-34-31-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-29-27-22-20-17-14-11-8-5-2/h16,19,23-24,26-29,48H,4-15,17-18,20-22,25,30-47H2,1-3H3/b19-16-,24-23-,28-26-,29-27-/t48-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCC/C=C\CCCCCCCC)[C@]([H])(OC(CCCCCC/C=C\C/C=C\C/C=C\CCCCC)=O)COC(CCCCCCCCCCC)=O