In-Silico Structure Database (LMISSD)
Common Name
TG(12:0/37:0/39:0)
Systematic Name
1-dodecanoyl-2-heptatriacontanoyl-3-nonatriacontanoyl-sn-glycerol
LM ID
LMGL03019P3Q
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1367.362340
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
JYXGPMXEBZLJNE-ZGADVIBFSA-N
InChi (Click to copy)
InChI=1S/C91H178O6/c1-4-7-10-13-16-19-21-23-25-27-29-31-33-35-37-39-41-43-45-46-48-49-51-53-55-57-59-61-63-65-67-69-72-75-78-81-84-90(93)96-87-88(86-95-89(92)83-80-77-74-71-18-15-12-9-6-3)97-91(94)85-82-79-76-73-70-68-66-64-62-60-58-56-54-52-50-47-44-42-40-38-36-34-32-30-28-26-24-22-20-17-14-11-8-5-2/h88H,4-87H2,1-3H3/t88-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCC)=O