In-Silico Structure Database (LMISSD)
Common Name
TG(22:1(13Z)/15:0/20:2(5Z,8Z))
Systematic Name
1-(13Z-docosenoyl)-2-pentadecanoyl-3-(5Z,8Z-eicosadienoyl)-sn-glycerol
LM ID
LMGL0301G4FE
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
926.830240
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
HDHPZRDCQYQFNW-MXEDOIJKSA-N
InChi (Click to copy)
InChI=1S/C60H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h25,27,33,35,40,43,57H,4-24,26,28-32,34,36-39,41-42,44-56H2,1-3H3/b27-25-,35-33-,43-40-/t57-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCC/C=C\C/C=C\CCCCCCCCCCC)[C@]([H])(OC(CCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCC/C=C\CCCCCCCC)=O