In-Silico Structure Database (LMISSD)
Common Name
TG(P-22:1(11Z)/20:2(5Z,8Z)/10:0)
Systematic Name
1-(1Z,11Z-docosenyl)-2-(5Z,8Z-eicosadienoyl)-3-decanoyl-sn-glycerol
LM ID
LMGL0304AZ5K
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
840.757075
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
1Z-alkenyldiacylglycerols [GL0304]
String Representations
InChiKey (Click to copy)
NKKFYEZSYXOZKO-YFKGMGHOSA-N
InChi (Click to copy)
InChI=1S/C55H100O5/c1-4-7-10-13-16-18-20-22-24-26-27-28-30-32-34-36-38-41-44-47-50-58-51-53(52-59-54(56)48-45-42-39-15-12-9-6-3)60-55(57)49-46-43-40-37-35-33-31-29-25-23-21-19-17-14-11-8-5-2/h26-27,31,33,37,40,47,50,53H,4-25,28-30,32,34-36,38-39,41-46,48-49,51-52H2,1-3H3/b27-26-,33-31-,40-37-,50-47-/t53-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCC)[C@]([H])(OC(CCC/C=C\C/C=C\CCCCCCCCCCC)=O)CO/C=C\CCCCCCCC/C=C\CCCCCCCCCC