In-Silico Structure Database (LMISSD)
Common Name
TG(33:0/34:0/18:2(9Z,12Z))
Systematic Name
1-tritriacontanoyl-2-tetratriacontanoyl-3-(9Z,12Z-octadecadienoyl)-sn-glycerol
LM ID
LMGL0301KM72
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)
PYRNJCUCEAXZIX-WSBMMADWSA-N
InChi (Click to copy)
InChI=1S/C88H168O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-38-40-42-44-46-48-50-52-54-56-58-61-64-67-70-73-76-79-82-88(91)94-85(83-92-86(89)80-77-74-71-68-65-62-59-27-24-21-18-15-12-9-6-3)84-93-87(90)81-78-75-72-69-66-63-60-57-55-53-51-49-47-45-43-41-39-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h18,21,27,59,85H,4-17,19-20,22-26,28-58,60-84H2,1-3H3/b21-18-,59-27-/t85-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O