In-Silico Structure Database (LMISSD)
Common Name
TG(20:3(8Z,11Z,14Z)/16:1(9Z)/12:0)
Systematic Name
1-(8Z,11Z,14Z-eicosatrienoyl)-2-(9Z-hexadecenoyl)-3-dodecanoyl-sn-glycerol
LM ID
LMGL0301FNHX
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)
VSWGYKTVMBBSAJ-XMPPAQSQSA-N
InChi (Click to copy)
InChI=1S/C51H90O6/c1-4-7-10-13-16-19-21-23-24-25-26-28-29-32-35-38-41-44-50(53)56-47-48(46-55-49(52)43-40-37-34-31-18-15-12-9-6-3)57-51(54)45-42-39-36-33-30-27-22-20-17-14-11-8-5-2/h16,19-20,22-24,26,28,48H,4-15,17-18,21,25,27,29-47H2,1-3H3/b19-16-,22-20-,24-23-,28-26-/t48-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCC)[C@]([H])(OC(CCCCCCC/C=C\CCCCCC)=O)COC(CCCCCC/C=C\C/C=C\C/C=C\CCCCC)=O