In-Silico Structure Database (LMISSD)
Common Name
TG(P-22:1(9Z)/36:0/18:2(9Z,11Z))
Systematic Name
1-(1Z,9Z-docosenyl)-2-hexatriacontanoyl-3-(9Z,11Z-octadecadienoyl)-sn-glycerol
LM ID
LMGL0304A7XB
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1177.132675
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
1Z-alkenyldiacylglycerols [GL0304]
String Representations
InChiKey (Click to copy)
ZIAIRELCLQSFBN-HUTSEERYSA-N
InChi (Click to copy)
InChI=1S/C79H148O5/c1-4-7-10-13-16-19-22-25-28-30-32-34-35-36-37-38-39-40-41-42-43-44-45-46-47-49-52-55-58-61-64-67-70-73-79(81)84-77(76-83-78(80)72-69-66-63-60-57-54-51-27-24-21-18-15-12-9-6-3)75-82-74-71-68-65-62-59-56-53-50-48-33-31-29-26-23-20-17-14-11-8-5-2/h21,24,27,48,50-51,71,74,77H,4-20,22-23,25-26,28-47,49,52-70,72-73,75-76H2,1-3H3/b24-21-,50-48-,51-27-,74-71-/t77-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCC/C=C\C=C/CCCCCC)[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)CO/C=C\CCCCCC/C=C\CCCCCCCCCCCC