In-Silico Structure Database (LMISSD)
Common Name
TG(39:0/37:0/22:4(7Z,10Z,13Z,16Z))
Systematic Name
1-nonatriacontanoyl-2-heptatriacontanoyl-3-(7Z,10Z,13Z,16Z-docosatetraenoyl)-sn-glycerol
LM ID
LMGL0301LJBV
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1499.456240
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
WLLZUJMRUYBKIL-BHPADSQJSA-N
InChi (Click to copy)
InChI=1S/C101H190O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-38-40-42-44-46-48-50-51-53-54-56-58-60-62-64-67-70-73-76-79-82-85-88-91-94-100(103)106-97-98(96-105-99(102)93-90-87-84-81-78-75-72-69-66-33-30-27-24-21-18-15-12-9-6-3)107-101(104)95-92-89-86-83-80-77-74-71-68-65-63-61-59-57-55-52-49-47-45-43-41-39-37-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,27,30,66,69,75,78,98H,4-17,19-20,22-26,28-29,31-65,67-68,70-74,76-77,79-97H2,1-3H3/b21-18-,30-27-,69-66-,78-75-/t98-/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(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O