In-Silico Structure Database (LMISSD)
Common Name
TG(22:4(7Z,10Z,13Z,16Z)/14:0/12:0)
Systematic Name
1-(7Z,10Z,13Z,16Z-docosatetraenoyl)-2-tetradecanoyl-3-dodecanoyl-sn-glycerol
LM ID
LMGL0301HEWF
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)
SPJGMYULYYZNQS-WQKKJZLRSA-N
InChi (Click to copy)
InChI=1S/C51H90O6/c1-4-7-10-13-16-19-21-22-23-24-25-26-27-28-30-32-35-38-41-44-50(53)56-47-48(46-55-49(52)43-40-37-34-31-18-15-12-9-6-3)57-51(54)45-42-39-36-33-29-20-17-14-11-8-5-2/h16,19,22-23,25-26,28,30,48H,4-15,17-18,20-21,24,27,29,31-47H2,1-3H3/b19-16-,23-22-,26-25-,30-28-/t48-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCC)[C@]([H])(OC(CCCCCCCCCCCCC)=O)COC(CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O