In-Silico Structure Database (LMISSD)
Common Name
TG(37:0/35:0/18:1(4E))
Systematic Name
1-heptatriacontanoyl-2-pentatriacontanoyl-3-(4E-octadecenoyl)-sn-glycerol
LM ID
LMGL0301K8JJ
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)
AGIRDPMFLUULIY-ZGOHSWHGSA-N
InChi (Click to copy)
InChI=1S/C93H180O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-38-40-42-44-46-47-49-50-52-54-56-58-60-62-65-68-71-74-77-80-83-86-92(95)98-89-90(88-97-91(94)85-82-79-76-73-70-67-64-27-24-21-18-15-12-9-6-3)99-93(96)87-84-81-78-75-72-69-66-63-61-59-57-55-53-51-48-45-43-41-39-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h76,79,90H,4-75,77-78,80-89H2,1-3H3/b79-76+/t90-/m0/s1
SMILES (Click to copy)
C(OC(=O)CC/C=C/CCCCCCCCCCCCC)[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O