In-Silico Structure Database (LMISSD)
Common Name
TG(39:0/14:1(9Z)/37:0)
Systematic Name
1-nonatriacontanoyl-2-(9Z-tetradecenoyl)-3-heptatriacontanoyl-sn-glycerol
LM ID
LMGL0301LEJN
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1393.377990
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
QQSICOZSKUFBKS-SIZOKDSCSA-N
InChi (Click to copy)
InChI=1S/C93H180O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-38-40-42-44-46-47-49-51-53-55-57-59-61-63-65-67-69-72-74-77-80-83-86-92(95)98-89-90(99-93(96)87-84-81-78-75-70-21-18-15-12-9-6-3)88-97-91(94)85-82-79-76-73-71-68-66-64-62-60-58-56-54-52-50-48-45-43-41-39-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h15,18,90H,4-14,16-17,19-89H2,1-3H3/b18-15-/t90-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)[C@]([H])(OC(CCCCCCC/C=C\CCCC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O