In-Silico Structure Database (LMISSD)
Common Name
TG(35:0/15:1(9Z)/36:0)
Systematic Name
1-pentatriacontanoyl-2-(9Z-pentadecenoyl)-3-hexatriacontanoyl-sn-glycerol
LM ID
LMGL0301KTES
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1337.315390
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
HOCBLEICGRKGDS-HHTLKLPDSA-N
InChi (Click to copy)
InChI=1S/C89H172O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-68-70-73-76-79-82-88(91)94-85-86(95-89(92)83-80-77-74-71-66-24-21-18-15-12-9-6-3)84-93-87(90)81-78-75-72-69-67-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h18,21,86H,4-17,19-20,22-85H2,1-3H3/b21-18-/t86-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)[C@]([H])(OC(CCCCCCC/C=C\CCCCC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O