In-Silico Structure Database (LMISSD)
Common Name
TG(P-22:1(9Z)/22:1(13Z)/36:0)
Systematic Name
1-(1Z,9Z-docosenyl)-2-(13Z-docosenoyl)-3-hexatriacontanoyl-sn-glycerol
LM ID
LMGL0304A6AS
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1235.210925
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
1Z-alkenyldiacylglycerols [GL0304]
String Representations
InChiKey (Click to copy)
PHIYUGIQRGKSHE-WYUBRGBHSA-N
InChi (Click to copy)
InChI=1S/C83H158O5/c1-4-7-10-13-16-19-22-25-28-31-34-36-37-38-39-40-41-42-43-44-45-46-47-48-50-52-55-58-61-64-67-70-73-76-82(84)87-80-81(79-86-78-75-72-69-66-63-60-57-54-51-35-32-29-26-23-20-17-14-11-8-5-2)88-83(85)77-74-71-68-65-62-59-56-53-49-33-30-27-24-21-18-15-12-9-6-3/h27,30,51,54,75,78,81H,4-26,28-29,31-50,52-53,55-74,76-77,79-80H2,1-3H3/b30-27-,54-51-,78-75-/t81-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)[C@]([H])(OC(CCCCCCCCCCC/C=C\CCCCCCCC)=O)CO/C=C\CCCCCC/C=C\CCCCCCCCCCCC