In-Silico Structure Database (LMISSD)
Common Name
TG(18:2(2E,4E)/33:0/34:0)
Systematic Name
1-(2E,4E-octadecadienoyl)-2-tritriacontanoyl-3-tetratriacontanoyl-sn-glycerol
LM ID
LMGL0301CYSB
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1321.284090
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
BHNKVLFULGRWFQ-AQQFELMFSA-N
InChi (Click to copy)
InChI=1S/C88H168O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-38-40-42-44-46-47-49-51-53-55-57-60-63-66-69-72-75-78-81-87(90)93-84-85(83-92-86(89)80-77-74-71-68-65-62-59-27-24-21-18-15-12-9-6-3)94-88(91)82-79-76-73-70-67-64-61-58-56-54-52-50-48-45-43-41-39-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h71,74,77,80,85H,4-70,72-73,75-76,78-79,81-84H2,1-3H3/b74-71+,80-77+/t85-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COC(/C=C/C=C/CCCCCCCCCCCCC)=O