In-Silico Structure Database (LMISSD)
Common Name
TG(P-22:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/26:1(5Z))
Systematic Name
1-(1Z,9Z-docosenyl)-2-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-3-(5Z-hexacosenoyl)-sn-glycerol
LM ID
LMGL0304A53I
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1056.944875
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
1Z-alkenyldiacylglycerols [GL0304]
String Representations
InChiKey (Click to copy)
JKEMDLPFIBKXHM-BXUNZTIZSA-N
InChi (Click to copy)
InChI=1S/C71H124O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-36-37-38-41-43-46-49-52-55-58-61-64-70(72)75-68-69(76-71(73)65-62-59-56-53-50-47-44-40-30-27-24-21-18-15-12-9-6-3)67-74-66-63-60-57-54-51-48-45-42-39-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,30,39,42,44,47,52-53,55-56,63,66,69H,4-8,10-11,13-17,19-20,22-26,28-29,31-38,40-41,43,45-46,48-51,54,57-62,64-65,67-68H2,1-3H3/b12-9-,21-18-,30-27-,42-39-,47-44-,55-52-,56-53-,66-63-/t69-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCC/C=C\CCCCCCCCCCCCCCCCCCCC)[C@]([H])(OC(CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O)CO/C=C\CCCCCC/C=C\CCCCCCCCCCCC