In-Silico Structure Database (LMISSD)
Common Name
TG(35:0/33:0/18:1(4E))
Systematic Name
1-pentatriacontanoyl-2-tritriacontanoyl-3-(4E-octadecenoyl)-sn-glycerol
LM ID
LMGL0301KXR7
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)
WMAJQUAXZAOBBB-PTLHHEABSA-N
InChi (Click to copy)
InChI=1S/C89H172O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-38-40-42-44-45-47-48-50-52-54-56-58-61-64-67-70-73-76-79-82-88(91)94-85-86(84-93-87(90)81-78-75-72-69-66-63-60-27-24-21-18-15-12-9-6-3)95-89(92)83-80-77-74-71-68-65-62-59-57-55-53-51-49-46-43-41-39-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h72,75,86H,4-71,73-74,76-85H2,1-3H3/b75-72+/t86-/m0/s1
SMILES (Click to copy)
C(OC(=O)CC/C=C/CCCCCCCCCCCCC)[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O