In-Silico Structure Database (LMISSD)
Common Name
TG(P-22:1(11Z)/35:0/24:4(5Z,8Z,11Z,14Z))
Systematic Name
1-(1Z,11Z-docosenyl)-2-pentatriacontanoyl-3-(5Z,8Z,11Z,14Z-tetracosatetraenoyl)-sn-glycerol
LM ID
LMGL0304A2KM
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1243.179625
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
1Z-alkenyldiacylglycerols [GL0304]
String Representations
InChiKey (Click to copy)
QJHSGLNWKCLWNN-DHBKJZSUSA-N
InChi (Click to copy)
InChI=1S/C84H154O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-38-39-40-41-42-43-44-45-46-47-49-51-54-57-60-63-66-69-72-75-78-84(86)89-82(80-87-79-76-73-70-67-64-61-58-55-52-36-33-30-27-24-21-18-15-12-9-6-3)81-88-83(85)77-74-71-68-65-62-59-56-53-50-48-35-32-29-26-23-20-17-14-11-8-5-2/h29,32-33,36,48,50,56,59,65,68,76,79,82H,4-28,30-31,34-35,37-47,49,51-55,57-58,60-64,66-67,69-75,77-78,80-81H2,1-3H3/b32-29-,36-33-,50-48-,59-56-,68-65-,79-76-/t82-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCC)[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)CO/C=C\CCCCCCCC/C=C\CCCCCCCCCC