In-Silico Structure Database (LMISSD)
Common Name
TG(12:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/14:0)
Systematic Name
1-dodecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-3-tetradecanoyl-sn-glycerol
LM ID
LMGL03019OO5
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
794.642440
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
QUGAUQSTUNBYGE-BQFKJGGNSA-N
InChi (Click to copy)
InChI=1S/C51H86O6/c1-4-7-10-13-16-19-21-22-23-24-25-26-27-28-30-33-36-39-42-45-51(54)57-48(46-55-49(52)43-40-37-34-31-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-29-20-17-14-11-8-5-2/h7,10,16,19,22-23,25-26,28,30,36,39,48H,4-6,8-9,11-15,17-18,20-21,24,27,29,31-35,37-38,40-47H2,1-3H3/b10-7-,19-16-,23-22-,26-25-,30-28-,39-36-/t48-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCCC)[C@]([H])(OC(CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O)COC(CCCCCCCCCCC)=O