In-Silico Structure Database (LMISSD)
Common Name
TG(38:0/14:0/36:0)
Systematic Name
1-octatriacontanoyl-2-tetradecanoyl-3-hexatriacontanoyl-sn-glycerol
LM ID
LMGL0301K85Y
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)
UKHRQTKXAXGVFN-LROKGLRXSA-N
InChi (Click to copy)
InChI=1S/C91H178O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-38-40-42-44-45-47-49-51-53-55-57-59-61-63-65-67-70-72-75-78-81-84-90(93)96-87-88(97-91(94)85-82-79-76-73-68-21-18-15-12-9-6-3)86-95-89(92)83-80-77-74-71-69-66-64-62-60-58-56-54-52-50-48-46-43-41-39-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h88H,4-87H2,1-3H3/t88-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)[C@]([H])(OC(CCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O