In-Silico Structure Database (LMISSD)
Common Name
TG(39:0/39:0/22:1(13Z))
Systematic Name
1,2-di-nonatriacontanoyl-3-(13Z-docosenoyl)-sn-glycerol
LM ID
LMGL0301LJGF
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1533.534490
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
IOIOMPHQTHQNFR-JCZJWVTHSA-N
InChi (Click to copy)
InChI=1S/C103H200O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-38-40-42-44-46-48-50-52-54-56-58-60-62-64-66-69-72-75-78-81-84-87-90-93-96-102(105)108-99-100(98-107-101(104)95-92-89-86-83-80-77-74-71-68-33-30-27-24-21-18-15-12-9-6-3)109-103(106)97-94-91-88-85-82-79-76-73-70-67-65-63-61-59-57-55-53-51-49-47-45-43-41-39-37-35-32-29-26-23-20-17-14-11-8-5-2/h27,30,100H,4-26,28-29,31-99H2,1-3H3/b30-27-/t100-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O