In-Silico Structure Database (LMISSD)
Common Name
TG(P-22:1(9Z)/38:0/22:5(7Z,10Z,13Z,16Z,19Z))
Systematic Name
1-(1Z,9Z-docosenyl)-2-octatriacontanoyl-3-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-sn-glycerol
LM ID
LMGL0304A72Q
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1255.179625
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
1Z-alkenyldiacylglycerols [GL0304]
String Representations
InChiKey (Click to copy)
GQKGVWIPRLUHAQ-XSGCQFNPSA-N
InChi (Click to copy)
InChI=1S/C85H154O5/c1-4-7-10-13-16-19-22-25-28-31-34-36-37-38-39-40-41-42-43-44-45-46-47-48-49-50-52-55-58-61-64-67-70-73-76-79-85(87)90-83(81-88-80-77-74-71-68-65-62-59-56-53-35-32-29-26-23-20-17-14-11-8-5-2)82-89-84(86)78-75-72-69-66-63-60-57-54-51-33-30-27-24-21-18-15-12-9-6-3/h9,12,18,21,27,30,51,53-54,56,60,63,77,80,83H,4-8,10-11,13-17,19-20,22-26,28-29,31-50,52,55,57-59,61-62,64-76,78-79,81-82H2,1-3H3/b12-9-,21-18-,30-27-,54-51-,56-53-,63-60-,80-77-/t83-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)CO/C=C\CCCCCC/C=C\CCCCCCCCCCCC