In-Silico Structure Database (LMISSD)
Common Name
TG(33:0/35:0/18:1(9E))
Systematic Name
1-tritriacontanoyl-2-pentatriacontanoyl-3-(9E-octadecenoyl)-sn-glycerol
LM ID
LMGL0301KM96
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1337.315390
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
JNDPJKOZIKFPIA-UZFSTAPXSA-N
InChi (Click to copy)
InChI=1S/C89H172O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-38-40-42-44-45-47-49-51-53-55-57-59-62-65-68-71-74-77-80-83-89(92)95-86(84-93-87(90)81-78-75-72-69-66-63-60-27-24-21-18-15-12-9-6-3)85-94-88(91)82-79-76-73-70-67-64-61-58-56-54-52-50-48-46-43-41-39-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h27,60,86H,4-26,28-59,61-85H2,1-3H3/b60-27+/t86-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCC/C=C/CCCCCCCC)[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O