In-Silico Structure Database (LMISSD)
Common Name
TG(39:0/37:0/24:4(5Z,8Z,11Z,14Z))
Systematic Name
1-nonatriacontanoyl-2-heptatriacontanoyl-3-(5Z,8Z,11Z,14Z-tetracosatetraenoyl)-sn-glycerol
LM ID
LMGL0301LJB3
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1527.487540
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
BQECLZVVVZSGNY-KMWNJCIRSA-N
InChi (Click to copy)
InChI=1S/C103H194O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-39-41-43-45-47-49-51-52-54-55-57-59-61-63-66-69-72-75-78-81-84-87-90-93-96-102(105)108-99-100(98-107-101(104)95-92-89-86-83-80-77-74-71-68-65-36-33-30-27-24-21-18-15-12-9-6-3)109-103(106)97-94-91-88-85-82-79-76-73-70-67-64-62-60-58-56-53-50-48-46-44-42-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h30,33,65,68,74,77,83,86,100H,4-29,31-32,34-64,66-67,69-73,75-76,78-82,84-85,87-99H2,1-3H3/b33-30-,68-65-,77-74-,86-83-/t100-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCC)[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O