In-Silico Structure Database (LMISSD)
Common Name
TG(18:3(9Z,12Z,15Z)/36:0/28:0)
Systematic Name
1-(9Z,12Z,15Z-octadecatrienoyl)-2-hexatriacontanoyl-3-octacosanoyl-sn-glycerol
LM ID
LMGL0301DZ6L
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1277.221490
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
NSVQDVNSZXGTQU-PYVMOCLRSA-N
InChi (Click to copy)
InChI=1S/C85H160O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-38-39-40-41-42-43-44-45-47-49-51-53-55-58-61-64-67-70-73-76-79-85(88)91-82(80-89-83(86)77-74-71-68-65-62-59-56-27-24-21-18-15-12-9-6-3)81-90-84(87)78-75-72-69-66-63-60-57-54-52-50-48-46-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,56,82H,4-8,10-11,13-17,19-20,22-26,28-55,57-81H2,1-3H3/b12-9-,21-18-,56-27-/t82-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCC)[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CCCCCCC/C=C\C/C=C\C/C=C\CC)=O