In-Silico Structure Database (LMISSD)
Common Name
TG(32:0/38:0/20:1(13Z))
Systematic Name
1-dotriacontanoyl-2-octatriacontanoyl-3-(13Z-eicosenoyl)-sn-glycerol
LM ID
LMGL0301KH57
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1393.377990
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
FGZCJTIYVPEURU-QKKWWVARSA-N
InChi (Click to copy)
InChI=1S/C93H180O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-39-41-43-44-45-46-47-48-50-52-54-56-58-60-63-66-69-72-75-78-81-84-87-93(96)99-90(88-97-91(94)85-82-79-76-73-70-67-64-61-30-27-24-21-18-15-12-9-6-3)89-98-92(95)86-83-80-77-74-71-68-65-62-59-57-55-53-51-49-42-40-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h21,24,90H,4-20,22-23,25-89H2,1-3H3/b24-21-/t90-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCC/C=C\CCCCCC)[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O