In-Silico Structure Database (LMISSD)
Common Name
TG(39:0/38:0/22:4(7Z,10Z,13Z,16Z))
Systematic Name
1-nonatriacontanoyl-2-octatriacontanoyl-3-(7Z,10Z,13Z,16Z-docosatetraenoyl)-sn-glycerol
LM ID
LMGL0301LJD6
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1513.471890
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
KVTMGLSLOOJUMX-RMSZWGHMSA-N
InChi (Click to copy)
InChI=1S/C102H192O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-38-40-42-44-46-48-50-52-53-55-57-59-61-63-65-68-71-74-77-80-83-86-89-92-95-101(104)107-98-99(97-106-100(103)94-91-88-85-82-79-76-73-70-67-33-30-27-24-21-18-15-12-9-6-3)108-102(105)96-93-90-87-84-81-78-75-72-69-66-64-62-60-58-56-54-51-49-47-45-43-41-39-37-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,27,30,67,70,76,79,99H,4-17,19-20,22-26,28-29,31-66,68-69,71-75,77-78,80-98H2,1-3H3/b21-18-,30-27-,70-67-,79-76-/t99-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O