In-Silico Structure Database (LMISSD)
Common Name
TG(28:0/38:0/16:1(7Z))
Systematic Name
1-octacosanoyl-2-octatriacontanoyl-3-(7Z-hexadecenoyl)-sn-glycerol
LM ID
LMGL0301JWVX
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1281.252790
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
KXEDLLGJIHYDBR-SOAWHMDBSA-N
InChi (Click to copy)
InChI=1S/C85H164O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-38-39-40-41-42-43-44-45-46-48-50-52-54-56-58-61-64-67-70-73-76-79-85(88)91-82(80-89-83(86)77-74-71-68-65-62-59-24-21-18-15-12-9-6-3)81-90-84(87)78-75-72-69-66-63-60-57-55-53-51-49-47-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h59,62,82H,4-58,60-61,63-81H2,1-3H3/b62-59-/t82-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCCCC/C=C\CCCCCCCC)[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCC)=O