In-Silico Structure Database (LMISSD)
Common Name
TG(37:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/35:0)
Systematic Name
1-heptatriacontanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-3-pentatriacontanoyl-sn-glycerol
LM ID
LMGL0301K7DD
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1439.362340
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
CLXVQWLIIJGVDR-WKANESPPSA-N
InChi (Click to copy)
InChI=1S/C97H178O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-38-40-42-44-46-48-49-51-53-55-57-59-61-64-66-69-72-75-78-81-84-87-90-96(99)102-93-94(103-97(100)91-88-85-82-79-76-73-70-67-62-33-30-27-24-21-18-15-12-9-6-3)92-101-95(98)89-86-83-80-77-74-71-68-65-63-60-58-56-54-52-50-47-45-43-41-39-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,30,62,67,73,76,82,85,94H,4-8,10-11,13-17,19-20,22-26,28-29,31-61,63-66,68-72,74-75,77-81,83-84,86-93H2,1-3H3/b12-9-,21-18-,30-27-,67-62-,76-73-,85-82-/t94-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)[C@]([H])(OC(CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O