In-Silico Structure Database (LMISSD)
Common Name
TG(12:0/37:0/38:0)
Systematic Name
1-dodecanoyl-2-heptatriacontanoyl-3-octatriacontanoyl-sn-glycerol
LM ID
LMGL03019P3P
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1353.346690
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
LNTAYFURWYGRCH-FMKNZVNVSA-N
InChi (Click to copy)
InChI=1S/C90H176O6/c1-4-7-10-13-16-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-48-50-52-54-56-58-60-62-64-66-68-71-74-77-80-83-89(92)95-86-87(85-94-88(91)82-79-76-73-70-18-15-12-9-6-3)96-90(93)84-81-78-75-72-69-67-65-63-61-59-57-55-53-51-49-46-44-42-40-38-36-34-32-30-28-26-24-22-20-17-14-11-8-5-2/h87H,4-86H2,1-3H3/t87-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCC)=O