In-Silico Structure Database (LMISSD)
Common Name
TG(20:2(11Z,14Z)/18:1(17Z)/20:5(5Z,8Z,11Z,14Z,17Z))
Systematic Name
1-(11Z,14Z-eicosadienoyl)-2-(13Z-octadecenoyl)-3-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-sn-glycerol
LM ID
LMGL0301E73M
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
930.767640
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
VOBWOYAIZHSTTC-KUBPHLPISA-N
InChi (Click to copy)
InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h6-7,10,16-17,19-20,25-26,28-29,33,35,41,44,58H,3-5,8-9,11-15,18,21-24,27,30-32,34,36-40,42-43,45-57H2,1-2H3/b10-7-,19-16-,20-17-,28-25-,29-26-,35-33-,44-41-/t58-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)[C@]([H])(OC(CCCCCCCCCCCCCCCC=C)=O)COC(CCCCCCCCC/C=C\C/C=C\CCCCC)=O