In-Silico Structure Database (LMISSD)
Common Name
TG(18:1(4E)/11:0/29:0)
Systematic Name
1-(4E-octadecenoyl)-2-undecanoyl-3-nonacosanoyl-sn-glycerol
LM ID
LMGL0301B3EG
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
944.877190
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
YXWOICFKGWJJHL-RAKYORHSSA-N
InChi (Click to copy)
InChI=1S/C61H116O6/c1-4-7-10-13-16-19-21-23-25-26-27-28-29-30-31-32-33-34-35-37-39-41-43-46-48-51-54-60(63)66-57-58(67-61(64)55-52-49-44-18-15-12-9-6-3)56-65-59(62)53-50-47-45-42-40-38-36-24-22-20-17-14-11-8-5-2/h45,47,58H,4-44,46,48-57H2,1-3H3/b47-45+/t58-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCC)[C@]([H])(OC(CCCCCCCCCC)=O)COC(CC/C=C/CCCCCCCCCCCCC)=O