In-Silico Structure Database (LMISSD)
Common Name
TG(34:0/17:2(9Z,12Z)/37:0)
Systematic Name
1-tetratriacontanoyl-2-(9Z,12Z-heptadecadienoyl)-3-heptatriacontanoyl-sn-glycerol
LM ID
LMGL0301KOHA
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1363.331040
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
KYBMDXHVOJIXLD-OGMVWTLJSA-N
InChi (Click to copy)
InChI=1S/C91H174O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-38-40-42-44-45-46-48-50-52-54-56-58-60-62-64-67-69-72-75-78-81-84-90(93)96-87-88(97-91(94)85-82-79-76-73-70-65-27-24-21-18-15-12-9-6-3)86-95-89(92)83-80-77-74-71-68-66-63-61-59-57-55-53-51-49-47-43-41-39-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h15,18,24,27,88H,4-14,16-17,19-23,25-26,28-87H2,1-3H3/b18-15-,27-24-/t88-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)[C@]([H])(OC(CCCCCCC/C=C\C/C=C\CCCC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O