In-Silico Structure Database (LMISSD)
Common Name
TG(39:0/35:0/21:0)
Systematic Name
1-nonatriacontanoyl-2-pentatriacontanoyl-3-heneicosanoyl-sn-glycerol
LM ID
LMGL0301LI65
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1465.471890
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
NRXXNYSLPMRHIB-CKUHIALESA-N
InChi (Click to copy)
InChI=1S/C98H192O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-38-40-42-44-46-48-49-50-51-53-54-56-58-60-62-64-67-70-73-76-79-82-85-88-91-97(100)103-94-95(93-102-96(99)90-87-84-81-78-75-72-69-66-33-30-27-24-21-18-15-12-9-6-3)104-98(101)92-89-86-83-80-77-74-71-68-65-63-61-59-57-55-52-47-45-43-41-39-37-35-32-29-26-23-20-17-14-11-8-5-2/h95H,4-94H2,1-3H3/t95-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCCCCCCCCCC)[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O