In-Silico Structure Database (LMISSD)
Common Name
DG(O-16:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)
Systematic Name
1-(11Z-hexadecenyl)-2-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-sn-glycerol
LM ID
LMGL02029AGA
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
598.496110
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Diradylglycerols [GL02]
1-alkyl,2-acylglycerols [GL0202]
String Representations
InChiKey (Click to copy)
KDEXYZJFXZFPMG-ZUGOGPLPSA-N
InChi (Click to copy)
InChI=1S/C39H66O4/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-39(41)43-38(36-40)37-42-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,10-13,17,19,21-22,26,28,38,40H,3-4,6,8-9,14-16,18,20,23-25,27,29-37H2,1-2H3/b7-5-,12-10-,13-11-,19-17-,22-21-,28-26-/t38-/m0/s1
SMILES (Click to copy)
OC[C@]([H])(OC(CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O)COCCCCCCCCCC/C=C\CCCC