In-Silico Structure Database (LMISSD)
Common Name
TG(37:0/20:3(5Z,8Z,11Z)/38:0)
Systematic Name
1-heptatriacontanoyl-2-(5Z,8Z,11Z-eicosatrienoyl)-3-octatriacontanoyl-sn-glycerol
LM ID
LMGL0301K599
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1459.424940
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
YOZMNSDNLOEUHX-KKZDIDQPSA-N
InChi (Click to copy)
InChI=1S/C98H186O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-68-70-73-76-79-82-85-88-91-97(100)103-94-95(104-98(101)92-89-86-83-80-77-74-71-66-30-27-24-21-18-15-12-9-6-3)93-102-96(99)90-87-84-81-78-75-72-69-67-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h27,30,71,74,80,83,95H,4-26,28-29,31-70,72-73,75-79,81-82,84-94H2,1-3H3/b30-27-,74-71-,83-80-/t95-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)[C@]([H])(OC(CCC/C=C\C/C=C\C/C=C\CCCCCCCC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O