In-Silico Structure Database (LMISSD)
Common Name
TG(39:0/38:0/20:4(7E,10E,13E,16E))
Systematic Name
1-nonatriacontanoyl-2-octatriacontanoyl-3-(7E,10E,13E,16E-eicosatetraenoyl)-sn-glycerol
LM ID
LMGL0301LJD0
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1485.440590
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
CSNGSBSCFMYNGC-OEPKMZINSA-N
InChi (Click to copy)
InChI=1S/C100H188O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-39-41-43-45-47-49-51-52-54-56-58-60-62-64-66-69-72-75-78-81-84-87-90-93-99(102)105-96-97(95-104-98(101)92-89-86-83-80-77-74-71-68-30-27-24-21-18-15-12-9-6-3)106-100(103)94-91-88-85-82-79-76-73-70-67-65-63-61-59-57-55-53-50-48-46-44-42-40-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h12,15,21,24,30,68,74,77,97H,4-11,13-14,16-20,22-23,25-29,31-67,69-73,75-76,78-96H2,1-3H3/b15-12+,24-21+,68-30+,77-74+/t97-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCC)[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O